USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 655 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 57 MET CE :methyl 148:sc= -0.605 (180deg=-0.874) USER MOD Set 1.2: A 81 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 37 ASN : amide:sc= 0.0229 K(o=0.98,f=-1.4) USER MOD Set 2.2: A 38 THR OG1 : rot 84:sc= 0.958 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= -0.0583 X(o=-0.058,f=-0.058) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -84:sc= 0.868 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0313 USER MOD Single : A 15 ASN : amide:sc= 1.44 K(o=1.4,f=-0.61) USER MOD Single : A 16 GLN : amide:sc= -0.662 K(o=-0.66,f=-0.11) USER MOD Single : A 17 THR OG1 : rot 151:sc= 0.567 USER MOD Single : A 18 TYR OH : rot -82:sc= 0.526 USER MOD Single : A 20 ASN : amide:sc= -0.351 K(o=-0.35,f=-4.7!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.83 K(o=-1.8,f=-0.31) USER MOD Single : A 25 LYS NZ :NH3+ 167:sc= 1.24 (180deg=1.21) USER MOD Single : A 27 THR OG1 : rot 119:sc= -0.166 USER MOD Single : A 29 ASN : amide:sc= 0.00795 K(o=0.008,f=-1.8!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0499 X(o=-0.05,f=-0.02) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot 180:sc= 0.0798 USER MOD Single : A 42 HIS : no HD1:sc= -0.244 X(o=-0.24,f=-0.065) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -53:sc= 0.204 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0913) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot -166:sc= 1.51 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HE2:sc= -0.172 K(o=-0.17,f=-2.2) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ -172:sc= 1.28 (180deg=1.15) USER MOD Single : A 90 ASN : amide:sc= 0.929 K(o=0.93,f=-0.12) USER MOD Single : A 94 GLN : amide:sc= 0.433 K(o=0.43,f=-1.8!) USER MOD Single : A 99 GLN : amide:sc= -0.0713 K(o=-0.071,f=-2.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.008 26.686 11.401 1.00 73.42 N ATOM 2 CA GLY A 1 1.219 26.038 10.350 1.00 65.34 C ATOM 3 C GLY A 1 1.473 26.726 9.025 1.00 30.31 C ATOM 4 O GLY A 1 1.377 27.957 8.942 1.00 2.41 O ATOM 0 H1 GLY A 1 1.832 26.212 12.310 1.00 73.42 H new ATOM 0 H2 GLY A 1 3.019 26.620 11.166 1.00 73.42 H new ATOM 0 H3 GLY A 1 1.734 27.687 11.474 1.00 73.42 H new ATOM 0 HA2 GLY A 1 1.485 24.983 10.280 1.00 65.34 H new ATOM 0 HA3 GLY A 1 0.158 26.084 10.597 1.00 65.34 H new ATOM 8 N ALA A 2 1.801 25.946 7.993 1.00 73.31 N ATOM 9 CA ALA A 2 1.733 26.377 6.605 1.00 52.34 C ATOM 10 C ALA A 2 0.272 26.705 6.272 1.00 65.11 C ATOM 11 O ALA A 2 -0.637 26.187 6.925 1.00 73.35 O ATOM 12 CB ALA A 2 2.263 25.248 5.710 1.00 45.23 C ATOM 0 H ALA A 2 2.125 24.985 8.105 1.00 73.31 H new ATOM 0 HA ALA A 2 2.342 27.266 6.438 1.00 52.34 H new ATOM 0 HB1 ALA A 2 2.217 25.559 4.666 1.00 45.23 H new ATOM 0 HB2 ALA A 2 3.296 25.026 5.977 1.00 45.23 H new ATOM 0 HB3 ALA A 2 1.653 24.356 5.850 1.00 45.23 H new ATOM 18 N GLN A 3 0.046 27.521 5.249 1.00 25.21 N ATOM 19 CA GLN A 3 -1.274 27.745 4.682 1.00 52.03 C ATOM 20 C GLN A 3 -1.606 26.524 3.832 1.00 43.02 C ATOM 21 O GLN A 3 -2.421 25.700 4.241 1.00 32.53 O ATOM 22 CB GLN A 3 -1.300 29.056 3.867 1.00 54.34 C ATOM 23 CG GLN A 3 -1.678 30.288 4.706 1.00 33.21 C ATOM 24 CD GLN A 3 -0.877 30.424 6.001 1.00 30.10 C ATOM 25 OE1 GLN A 3 0.340 30.614 5.982 1.00 73.31 O ATOM 26 NE2 GLN A 3 -1.529 30.312 7.145 1.00 32.13 N ATOM 0 H GLN A 3 0.784 28.051 4.786 1.00 25.21 H new ATOM 0 HA GLN A 3 -2.028 27.864 5.461 1.00 52.03 H new ATOM 0 HB2 GLN A 3 -0.319 29.217 3.420 1.00 54.34 H new ATOM 0 HB3 GLN A 3 -2.011 28.952 3.047 1.00 54.34 H new ATOM 0 HG2 GLN A 3 -1.532 31.185 4.104 1.00 33.21 H new ATOM 0 HG3 GLN A 3 -2.739 30.238 4.950 1.00 33.21 H new ATOM 0 HE21 GLN A 3 -2.537 30.155 7.144 1.00 32.13 H new ATOM 0 HE22 GLN A 3 -1.024 30.383 8.029 1.00 32.13 H new ATOM 33 N ASP A 4 -0.961 26.385 2.671 1.00 45.31 N ATOM 34 CA ASP A 4 -1.383 25.442 1.635 1.00 21.30 C ATOM 35 C ASP A 4 -0.184 24.957 0.812 1.00 1.21 C ATOM 36 O ASP A 4 -0.200 24.887 -0.421 1.00 62.11 O ATOM 37 CB ASP A 4 -2.443 26.114 0.758 1.00 22.54 C ATOM 38 CG ASP A 4 -3.108 25.131 -0.200 1.00 45.42 C ATOM 39 OD1 ASP A 4 -3.019 23.890 -0.016 1.00 74.12 O ATOM 40 OD2 ASP A 4 -3.836 25.606 -1.094 1.00 41.14 O ATOM 0 H ASP A 4 -0.131 26.924 2.424 1.00 45.31 H new ATOM 0 HA ASP A 4 -1.819 24.557 2.098 1.00 21.30 H new ATOM 0 HB2 ASP A 4 -3.203 26.569 1.394 1.00 22.54 H new ATOM 0 HB3 ASP A 4 -1.982 26.919 0.187 1.00 22.54 H new ATOM 44 N GLY A 5 0.927 24.703 1.499 1.00 3.00 N ATOM 45 CA GLY A 5 2.213 24.451 0.872 1.00 11.11 C ATOM 46 C GLY A 5 2.546 22.972 0.665 1.00 24.32 C ATOM 47 O GLY A 5 3.729 22.689 0.459 1.00 54.42 O ATOM 0 H GLY A 5 0.955 24.667 2.518 1.00 3.00 H new ATOM 0 HA2 GLY A 5 2.235 24.953 -0.095 1.00 11.11 H new ATOM 0 HA3 GLY A 5 2.994 24.903 1.483 1.00 11.11 H new ATOM 51 N LYS A 6 1.612 22.020 0.811 1.00 33.51 N ATOM 52 CA LYS A 6 1.950 20.591 0.789 1.00 63.34 C ATOM 53 C LYS A 6 0.780 19.727 0.288 1.00 63.25 C ATOM 54 O LYS A 6 0.450 18.724 0.920 1.00 14.14 O ATOM 55 CB LYS A 6 2.451 20.154 2.187 1.00 54.04 C ATOM 56 CG LYS A 6 3.478 19.016 2.072 1.00 5.30 C ATOM 57 CD LYS A 6 3.669 18.278 3.405 1.00 53.21 C ATOM 58 CE LYS A 6 4.967 17.460 3.461 1.00 71.51 C ATOM 59 NZ LYS A 6 5.048 16.414 2.422 1.00 73.21 N ATOM 0 H LYS A 6 0.620 22.214 0.945 1.00 33.51 H new ATOM 0 HA LYS A 6 2.757 20.435 0.073 1.00 63.34 H new ATOM 0 HB2 LYS A 6 2.901 21.005 2.698 1.00 54.04 H new ATOM 0 HB3 LYS A 6 1.607 19.827 2.794 1.00 54.04 H new ATOM 0 HG2 LYS A 6 3.152 18.309 1.309 1.00 5.30 H new ATOM 0 HG3 LYS A 6 4.434 19.422 1.742 1.00 5.30 H new ATOM 0 HD2 LYS A 6 3.669 19.004 4.218 1.00 53.21 H new ATOM 0 HD3 LYS A 6 2.821 17.614 3.570 1.00 53.21 H new ATOM 0 HE2 LYS A 6 5.817 18.134 3.354 1.00 71.51 H new ATOM 0 HE3 LYS A 6 5.051 16.994 4.443 1.00 71.51 H new ATOM 0 HZ1 LYS A 6 5.947 15.900 2.516 1.00 73.21 H new ATOM 0 HZ2 LYS A 6 4.256 15.750 2.536 1.00 73.21 H new ATOM 0 HZ3 LYS A 6 4.998 16.855 1.481 1.00 73.21 H new ATOM 69 N GLU A 7 0.087 20.111 -0.783 1.00 74.32 N ATOM 70 CA GLU A 7 -1.131 19.463 -1.275 1.00 31.44 C ATOM 71 C GLU A 7 -0.771 18.233 -2.123 1.00 62.14 C ATOM 72 O GLU A 7 -1.088 18.116 -3.311 1.00 22.50 O ATOM 73 CB GLU A 7 -1.952 20.511 -2.027 1.00 33.33 C ATOM 74 CG GLU A 7 -3.355 20.096 -2.507 1.00 70.42 C ATOM 75 CD GLU A 7 -4.376 19.729 -1.427 1.00 11.02 C ATOM 76 OE1 GLU A 7 -4.147 19.893 -0.207 1.00 5.30 O ATOM 77 OE2 GLU A 7 -5.458 19.246 -1.841 1.00 63.45 O ATOM 0 H GLU A 7 0.367 20.909 -1.353 1.00 74.32 H new ATOM 0 HA GLU A 7 -1.743 19.084 -0.456 1.00 31.44 H new ATOM 0 HB2 GLU A 7 -2.060 21.382 -1.381 1.00 33.33 H new ATOM 0 HB3 GLU A 7 -1.378 20.829 -2.897 1.00 33.33 H new ATOM 0 HG2 GLU A 7 -3.767 20.913 -3.099 1.00 70.42 H new ATOM 0 HG3 GLU A 7 -3.246 19.242 -3.175 1.00 70.42 H new ATOM 82 N THR A 8 -0.107 17.284 -1.482 1.00 74.34 N ATOM 83 CA THR A 8 0.169 15.949 -1.969 1.00 24.20 C ATOM 84 C THR A 8 -0.148 14.940 -0.858 1.00 43.22 C ATOM 85 O THR A 8 -0.475 15.321 0.272 1.00 61.35 O ATOM 86 CB THR A 8 1.636 15.846 -2.415 1.00 14.10 C ATOM 87 OG1 THR A 8 2.485 16.464 -1.467 1.00 25.53 O ATOM 88 CG2 THR A 8 1.878 16.446 -3.802 1.00 14.32 C ATOM 0 H THR A 8 0.276 17.439 -0.549 1.00 74.34 H new ATOM 0 HA THR A 8 -0.456 15.727 -2.834 1.00 24.20 H new ATOM 0 HB THR A 8 1.869 14.783 -2.479 1.00 14.10 H new ATOM 0 HG1 THR A 8 3.416 16.389 -1.764 1.00 25.53 H new ATOM 0 HG21 THR A 8 2.931 16.345 -4.064 1.00 14.32 H new ATOM 0 HG22 THR A 8 1.269 15.920 -4.537 1.00 14.32 H new ATOM 0 HG23 THR A 8 1.606 17.502 -3.794 1.00 14.32 H new ATOM 96 N THR A 9 -0.010 13.654 -1.169 1.00 74.31 N ATOM 97 CA THR A 9 -0.111 12.557 -0.227 1.00 30.50 C ATOM 98 C THR A 9 1.265 11.925 -0.011 1.00 51.43 C ATOM 99 O THR A 9 2.267 12.359 -0.590 1.00 4.04 O ATOM 100 CB THR A 9 -1.202 11.569 -0.690 1.00 21.23 C ATOM 101 OG1 THR A 9 -1.553 11.684 -2.055 1.00 12.32 O ATOM 102 CG2 THR A 9 -2.460 11.849 0.125 1.00 71.25 C ATOM 0 H THR A 9 0.182 13.342 -2.121 1.00 74.31 H new ATOM 0 HA THR A 9 -0.428 12.916 0.752 1.00 30.50 H new ATOM 0 HB THR A 9 -0.797 10.567 -0.545 1.00 21.23 H new ATOM 0 HG1 THR A 9 -2.217 12.396 -2.163 1.00 12.32 H new ATOM 0 HG21 THR A 9 -3.251 11.164 -0.180 1.00 71.25 H new ATOM 0 HG22 THR A 9 -2.246 11.707 1.184 1.00 71.25 H new ATOM 0 HG23 THR A 9 -2.783 12.876 -0.046 1.00 71.25 H new ATOM 110 N THR A 10 1.370 10.966 0.907 1.00 12.44 N ATOM 111 CA THR A 10 2.602 10.242 1.176 1.00 61.41 C ATOM 112 C THR A 10 2.201 8.842 1.618 1.00 54.23 C ATOM 113 O THR A 10 1.715 8.637 2.734 1.00 5.30 O ATOM 114 CB THR A 10 3.457 10.968 2.224 1.00 54.34 C ATOM 115 OG1 THR A 10 3.631 12.326 1.862 1.00 21.13 O ATOM 116 CG2 THR A 10 4.851 10.346 2.331 1.00 32.40 C ATOM 0 H THR A 10 0.588 10.669 1.491 1.00 12.44 H new ATOM 0 HA THR A 10 3.228 10.184 0.285 1.00 61.41 H new ATOM 0 HB THR A 10 2.934 10.881 3.176 1.00 54.34 H new ATOM 0 HG1 THR A 10 4.177 12.778 2.539 1.00 21.13 H new ATOM 0 HG21 THR A 10 5.432 10.882 3.081 1.00 32.40 H new ATOM 0 HG22 THR A 10 4.761 9.299 2.622 1.00 32.40 H new ATOM 0 HG23 THR A 10 5.354 10.413 1.366 1.00 32.40 H new ATOM 124 N ILE A 11 2.350 7.896 0.702 1.00 30.31 N ATOM 125 CA ILE A 11 2.015 6.502 0.908 1.00 41.42 C ATOM 126 C ILE A 11 3.309 5.817 1.355 1.00 22.53 C ATOM 127 O ILE A 11 4.410 6.235 0.988 1.00 1.42 O ATOM 128 CB ILE A 11 1.445 5.941 -0.414 1.00 54.35 C ATOM 129 CG1 ILE A 11 0.168 6.703 -0.847 1.00 41.22 C ATOM 130 CG2 ILE A 11 1.132 4.436 -0.328 1.00 61.41 C ATOM 131 CD1 ILE A 11 -0.101 6.584 -2.349 1.00 10.11 C ATOM 0 H ILE A 11 2.718 8.087 -0.230 1.00 30.31 H new ATOM 0 HA ILE A 11 1.252 6.338 1.669 1.00 41.42 H new ATOM 0 HB ILE A 11 2.225 6.086 -1.162 1.00 54.35 H new ATOM 0 HG12 ILE A 11 -0.688 6.315 -0.295 1.00 41.22 H new ATOM 0 HG13 ILE A 11 0.268 7.755 -0.581 1.00 41.22 H new ATOM 0 HG21 ILE A 11 0.734 4.092 -1.283 1.00 61.41 H new ATOM 0 HG22 ILE A 11 2.045 3.887 -0.096 1.00 61.41 H new ATOM 0 HG23 ILE A 11 0.395 4.262 0.456 1.00 61.41 H new ATOM 0 HD11 ILE A 11 -1.007 7.135 -2.601 1.00 10.11 H new ATOM 0 HD12 ILE A 11 0.742 6.997 -2.903 1.00 10.11 H new ATOM 0 HD13 ILE A 11 -0.230 5.534 -2.614 1.00 10.11 H new ATOM 142 N ARG A 12 3.188 4.728 2.115 1.00 1.02 N ATOM 143 CA ARG A 12 4.301 3.866 2.475 1.00 3.23 C ATOM 144 C ARG A 12 3.848 2.426 2.328 1.00 3.42 C ATOM 145 O ARG A 12 2.804 2.046 2.858 1.00 63.54 O ATOM 146 CB ARG A 12 4.807 4.168 3.895 1.00 1.04 C ATOM 147 CG ARG A 12 6.161 3.483 4.173 1.00 41.02 C ATOM 148 CD ARG A 12 6.286 2.951 5.602 1.00 52.32 C ATOM 149 NE ARG A 12 6.377 4.022 6.594 1.00 32.21 N ATOM 150 CZ ARG A 12 6.696 3.905 7.888 1.00 51.52 C ATOM 151 NH1 ARG A 12 6.939 2.726 8.453 1.00 74.05 N ATOM 152 NH2 ARG A 12 6.751 4.995 8.635 1.00 52.31 N ATOM 0 H ARG A 12 2.296 4.420 2.502 1.00 1.02 H new ATOM 0 HA ARG A 12 5.145 4.049 1.810 1.00 3.23 H new ATOM 0 HB2 ARG A 12 4.911 5.245 4.024 1.00 1.04 H new ATOM 0 HB3 ARG A 12 4.071 3.829 4.624 1.00 1.04 H new ATOM 0 HG2 ARG A 12 6.294 2.659 3.473 1.00 41.02 H new ATOM 0 HG3 ARG A 12 6.966 4.194 3.985 1.00 41.02 H new ATOM 0 HD2 ARG A 12 5.425 2.323 5.829 1.00 52.32 H new ATOM 0 HD3 ARG A 12 7.170 2.318 5.674 1.00 52.32 H new ATOM 0 HE ARG A 12 6.174 4.965 6.262 1.00 32.21 H new ATOM 0 HH11 ARG A 12 6.885 1.873 7.896 1.00 74.05 H new ATOM 0 HH12 ARG A 12 7.180 2.675 9.443 1.00 74.05 H new ATOM 0 HH21 ARG A 12 6.552 5.906 8.223 1.00 52.31 H new ATOM 0 HH22 ARG A 12 6.993 4.924 9.623 1.00 52.31 H new ATOM 163 N LEU A 13 4.623 1.619 1.619 1.00 71.41 N ATOM 164 CA LEU A 13 4.420 0.183 1.508 1.00 3.00 C ATOM 165 C LEU A 13 5.434 -0.477 2.434 1.00 71.24 C ATOM 166 O LEU A 13 6.606 -0.105 2.402 1.00 42.22 O ATOM 167 CB LEU A 13 4.613 -0.260 0.043 1.00 70.14 C ATOM 168 CG LEU A 13 3.404 -0.090 -0.901 1.00 34.41 C ATOM 169 CD1 LEU A 13 2.418 -1.238 -0.737 1.00 25.14 C ATOM 170 CD2 LEU A 13 2.633 1.218 -0.715 1.00 25.40 C ATOM 0 H LEU A 13 5.430 1.953 1.092 1.00 71.41 H new ATOM 0 HA LEU A 13 3.410 -0.107 1.796 1.00 3.00 H new ATOM 0 HB2 LEU A 13 5.450 0.300 -0.374 1.00 70.14 H new ATOM 0 HB3 LEU A 13 4.900 -1.312 0.041 1.00 70.14 H new ATOM 0 HG LEU A 13 3.841 -0.079 -1.899 1.00 34.41 H new ATOM 0 HD11 LEU A 13 1.576 -1.094 -1.414 1.00 25.14 H new ATOM 0 HD12 LEU A 13 2.914 -2.180 -0.971 1.00 25.14 H new ATOM 0 HD13 LEU A 13 2.057 -1.264 0.291 1.00 25.14 H new ATOM 0 HD21 LEU A 13 1.801 1.253 -1.418 1.00 25.40 H new ATOM 0 HD22 LEU A 13 2.249 1.273 0.304 1.00 25.40 H new ATOM 0 HD23 LEU A 13 3.298 2.062 -0.898 1.00 25.40 H new ATOM 181 N ILE A 14 5.006 -1.441 3.253 1.00 34.23 N ATOM 182 CA ILE A 14 5.874 -2.168 4.179 1.00 64.05 C ATOM 183 C ILE A 14 5.715 -3.664 3.925 1.00 51.24 C ATOM 184 O ILE A 14 4.588 -4.160 3.939 1.00 33.41 O ATOM 185 CB ILE A 14 5.527 -1.845 5.646 1.00 2.41 C ATOM 186 CG1 ILE A 14 5.394 -0.342 5.952 1.00 1.41 C ATOM 187 CG2 ILE A 14 6.629 -2.413 6.547 1.00 53.14 C ATOM 188 CD1 ILE A 14 3.991 0.222 5.713 1.00 14.00 C ATOM 0 H ILE A 14 4.032 -1.742 3.291 1.00 34.23 H new ATOM 0 HA ILE A 14 6.906 -1.862 4.009 1.00 64.05 H new ATOM 0 HB ILE A 14 4.552 -2.295 5.833 1.00 2.41 H new ATOM 0 HG12 ILE A 14 5.672 -0.168 6.991 1.00 1.41 H new ATOM 0 HG13 ILE A 14 6.105 0.208 5.335 1.00 1.41 H new ATOM 0 HG21 ILE A 14 6.397 -2.192 7.589 1.00 53.14 H new ATOM 0 HG22 ILE A 14 6.691 -3.493 6.410 1.00 53.14 H new ATOM 0 HG23 ILE A 14 7.584 -1.959 6.284 1.00 53.14 H new ATOM 0 HD11 ILE A 14 3.981 1.286 5.952 1.00 14.00 H new ATOM 0 HD12 ILE A 14 3.716 0.082 4.668 1.00 14.00 H new ATOM 0 HD13 ILE A 14 3.276 -0.299 6.349 1.00 14.00 H new ATOM 199 N ASN A 15 6.828 -4.376 3.726 1.00 61.41 N ATOM 200 CA ASN A 15 6.851 -5.793 3.369 1.00 53.23 C ATOM 201 C ASN A 15 7.018 -6.686 4.599 1.00 11.21 C ATOM 202 O ASN A 15 8.071 -7.296 4.791 1.00 13.40 O ATOM 203 CB ASN A 15 7.966 -6.054 2.354 1.00 32.40 C ATOM 204 CG ASN A 15 7.723 -7.366 1.617 1.00 10.33 C ATOM 205 OD1 ASN A 15 6.613 -7.662 1.185 1.00 51.33 O ATOM 206 ND2 ASN A 15 8.764 -8.145 1.428 1.00 10.52 N ATOM 0 H ASN A 15 7.760 -3.971 3.811 1.00 61.41 H new ATOM 0 HA ASN A 15 5.891 -6.044 2.919 1.00 53.23 H new ATOM 0 HB2 ASN A 15 8.014 -5.232 1.639 1.00 32.40 H new ATOM 0 HB3 ASN A 15 8.929 -6.090 2.864 1.00 32.40 H new ATOM 0 HD21 ASN A 15 8.660 -9.019 0.912 1.00 10.52 H new ATOM 0 HD22 ASN A 15 9.676 -7.876 1.797 1.00 10.52 H new ATOM 212 N GLN A 16 6.024 -6.732 5.484 1.00 71.33 N ATOM 213 CA GLN A 16 6.137 -7.388 6.789 1.00 2.41 C ATOM 214 C GLN A 16 5.938 -8.910 6.657 1.00 5.51 C ATOM 215 O GLN A 16 5.181 -9.509 7.421 1.00 73.13 O ATOM 216 CB GLN A 16 5.183 -6.734 7.818 1.00 41.50 C ATOM 217 CG GLN A 16 5.272 -5.200 7.799 1.00 5.51 C ATOM 218 CD GLN A 16 4.520 -4.535 8.936 1.00 14.21 C ATOM 219 OE1 GLN A 16 5.018 -4.401 10.046 1.00 23.42 O ATOM 220 NE2 GLN A 16 3.342 -3.999 8.679 1.00 13.44 N ATOM 0 H GLN A 16 5.110 -6.312 5.316 1.00 71.33 H new ATOM 0 HA GLN A 16 7.147 -7.243 7.172 1.00 2.41 H new ATOM 0 HB2 GLN A 16 4.158 -7.039 7.606 1.00 41.50 H new ATOM 0 HB3 GLN A 16 5.424 -7.098 8.817 1.00 41.50 H new ATOM 0 HG2 GLN A 16 6.320 -4.904 7.846 1.00 5.51 H new ATOM 0 HG3 GLN A 16 4.879 -4.833 6.851 1.00 5.51 H new ATOM 0 HE21 GLN A 16 2.923 -4.108 7.756 1.00 13.44 H new ATOM 0 HE22 GLN A 16 2.851 -3.476 9.404 1.00 13.44 H new ATOM 227 N THR A 17 6.584 -9.555 5.683 1.00 65.31 N ATOM 228 CA THR A 17 6.300 -10.914 5.228 1.00 10.43 C ATOM 229 C THR A 17 7.578 -11.741 5.070 1.00 73.15 C ATOM 230 O THR A 17 8.692 -11.282 5.344 1.00 22.14 O ATOM 231 CB THR A 17 5.526 -10.846 3.898 1.00 54.33 C ATOM 232 OG1 THR A 17 6.129 -9.892 3.049 1.00 12.42 O ATOM 233 CG2 THR A 17 4.069 -10.484 4.142 1.00 44.20 C ATOM 0 H THR A 17 7.352 -9.124 5.169 1.00 65.31 H new ATOM 0 HA THR A 17 5.693 -11.414 5.983 1.00 10.43 H new ATOM 0 HB THR A 17 5.558 -11.826 3.422 1.00 54.33 H new ATOM 0 HG1 THR A 17 5.979 -10.145 2.114 1.00 12.42 H new ATOM 0 HG21 THR A 17 3.540 -10.441 3.190 1.00 44.20 H new ATOM 0 HG22 THR A 17 3.608 -11.239 4.779 1.00 44.20 H new ATOM 0 HG23 THR A 17 4.013 -9.512 4.632 1.00 44.20 H new ATOM 241 N TYR A 18 7.389 -12.994 4.651 1.00 11.42 N ATOM 242 CA TYR A 18 8.428 -14.008 4.505 1.00 34.34 C ATOM 243 C TYR A 18 8.924 -14.178 3.060 1.00 74.25 C ATOM 244 O TYR A 18 9.543 -15.197 2.754 1.00 51.12 O ATOM 245 CB TYR A 18 7.984 -15.328 5.172 1.00 73.31 C ATOM 246 CG TYR A 18 6.747 -16.082 4.682 1.00 71.10 C ATOM 247 CD1 TYR A 18 6.048 -15.743 3.504 1.00 74.01 C ATOM 248 CD2 TYR A 18 6.296 -17.177 5.448 1.00 74.04 C ATOM 249 CE1 TYR A 18 4.908 -16.473 3.111 1.00 74.43 C ATOM 250 CE2 TYR A 18 5.159 -17.910 5.063 1.00 32.15 C ATOM 251 CZ TYR A 18 4.444 -17.550 3.902 1.00 52.53 C ATOM 252 OH TYR A 18 3.337 -18.260 3.540 1.00 71.11 O ATOM 0 H TYR A 18 6.465 -13.342 4.394 1.00 11.42 H new ATOM 0 HA TYR A 18 9.311 -13.655 5.037 1.00 34.34 H new ATOM 0 HB2 TYR A 18 8.825 -16.018 5.105 1.00 73.31 H new ATOM 0 HB3 TYR A 18 7.830 -15.115 6.230 1.00 73.31 H new ATOM 0 HD1 TYR A 18 6.390 -14.917 2.898 1.00 74.01 H new ATOM 0 HD2 TYR A 18 6.831 -17.457 6.343 1.00 74.04 H new ATOM 0 HE1 TYR A 18 4.387 -16.209 2.203 1.00 74.43 H new ATOM 0 HE2 TYR A 18 4.833 -18.750 5.658 1.00 32.15 H new ATOM 0 HH TYR A 18 2.532 -17.781 3.828 1.00 71.11 H new ATOM 261 N PHE A 19 8.679 -13.223 2.157 1.00 22.02 N ATOM 262 CA PHE A 19 9.156 -13.277 0.770 1.00 12.24 C ATOM 263 C PHE A 19 9.636 -11.893 0.319 1.00 11.31 C ATOM 264 O PHE A 19 9.547 -10.922 1.069 1.00 13.21 O ATOM 265 CB PHE A 19 8.067 -13.860 -0.154 1.00 53.52 C ATOM 266 CG PHE A 19 6.708 -13.217 0.023 1.00 23.11 C ATOM 267 CD1 PHE A 19 6.522 -11.845 -0.224 1.00 32.04 C ATOM 268 CD2 PHE A 19 5.651 -13.969 0.558 1.00 54.55 C ATOM 269 CE1 PHE A 19 5.316 -11.221 0.128 1.00 31.23 C ATOM 270 CE2 PHE A 19 4.486 -13.330 0.980 1.00 22.40 C ATOM 271 CZ PHE A 19 4.312 -11.960 0.769 1.00 72.44 C ATOM 0 H PHE A 19 8.140 -12.384 2.369 1.00 22.02 H new ATOM 0 HA PHE A 19 10.013 -13.948 0.708 1.00 12.24 H new ATOM 0 HB2 PHE A 19 8.382 -13.742 -1.191 1.00 53.52 H new ATOM 0 HB3 PHE A 19 7.980 -14.930 0.033 1.00 53.52 H new ATOM 0 HD1 PHE A 19 7.311 -11.270 -0.686 1.00 32.04 H new ATOM 0 HD2 PHE A 19 5.740 -15.042 0.643 1.00 54.55 H new ATOM 0 HE1 PHE A 19 5.162 -10.175 -0.094 1.00 31.23 H new ATOM 0 HE2 PHE A 19 3.712 -13.899 1.474 1.00 22.40 H new ATOM 0 HZ PHE A 19 3.407 -11.472 1.099 1.00 72.44 H new ATOM 280 N ASN A 20 10.175 -11.789 -0.897 1.00 71.13 N ATOM 281 CA ASN A 20 10.500 -10.527 -1.570 1.00 32.22 C ATOM 282 C ASN A 20 9.373 -10.191 -2.554 1.00 70.42 C ATOM 283 O ASN A 20 8.666 -11.102 -3.001 1.00 54.44 O ATOM 284 CB ASN A 20 11.843 -10.685 -2.302 1.00 3.44 C ATOM 285 CG ASN A 20 12.221 -9.425 -3.070 1.00 51.31 C ATOM 286 OD1 ASN A 20 12.510 -8.399 -2.485 1.00 40.32 O ATOM 287 ND2 ASN A 20 12.213 -9.460 -4.389 1.00 40.11 N ATOM 0 H ASN A 20 10.406 -12.607 -1.460 1.00 71.13 H new ATOM 0 HA ASN A 20 10.591 -9.714 -0.850 1.00 32.22 H new ATOM 0 HB2 ASN A 20 12.625 -10.919 -1.580 1.00 3.44 H new ATOM 0 HB3 ASN A 20 11.784 -11.527 -2.992 1.00 3.44 H new ATOM 0 HD21 ASN A 20 12.450 -8.624 -4.923 1.00 40.11 H new ATOM 0 HD22 ASN A 20 11.970 -10.323 -4.875 1.00 40.11 H new ATOM 293 N VAL A 21 9.201 -8.923 -2.924 1.00 53.43 N ATOM 294 CA VAL A 21 8.217 -8.463 -3.910 1.00 14.21 C ATOM 295 C VAL A 21 8.894 -7.400 -4.789 1.00 43.23 C ATOM 296 O VAL A 21 9.707 -6.627 -4.305 1.00 75.51 O ATOM 297 CB VAL A 21 6.942 -7.928 -3.209 1.00 25.53 C ATOM 298 CG1 VAL A 21 6.107 -9.018 -2.545 1.00 53.04 C ATOM 299 CG2 VAL A 21 7.251 -6.870 -2.143 1.00 72.42 C ATOM 0 H VAL A 21 9.758 -8.162 -2.536 1.00 53.43 H new ATOM 0 HA VAL A 21 7.887 -9.289 -4.540 1.00 14.21 H new ATOM 0 HB VAL A 21 6.370 -7.484 -4.024 1.00 25.53 H new ATOM 0 HG11 VAL A 21 5.231 -8.570 -2.075 1.00 53.04 H new ATOM 0 HG12 VAL A 21 5.786 -9.739 -3.297 1.00 53.04 H new ATOM 0 HG13 VAL A 21 6.706 -9.525 -1.788 1.00 53.04 H new ATOM 0 HG21 VAL A 21 6.321 -6.532 -1.686 1.00 72.42 H new ATOM 0 HG22 VAL A 21 7.896 -7.302 -1.378 1.00 72.42 H new ATOM 0 HG23 VAL A 21 7.756 -6.023 -2.607 1.00 72.42 H new ATOM 309 N LYS A 22 8.584 -7.345 -6.089 1.00 1.11 N ATOM 310 CA LYS A 22 9.374 -6.599 -7.096 1.00 54.43 C ATOM 311 C LYS A 22 8.516 -5.800 -8.070 1.00 2.30 C ATOM 312 O LYS A 22 8.930 -5.439 -9.169 1.00 42.35 O ATOM 313 CB LYS A 22 10.344 -7.557 -7.814 1.00 15.10 C ATOM 314 CG LYS A 22 9.683 -8.827 -8.392 1.00 63.25 C ATOM 315 CD LYS A 22 9.746 -10.024 -7.422 1.00 2.42 C ATOM 316 CE LYS A 22 8.721 -11.113 -7.755 1.00 54.05 C ATOM 317 NZ LYS A 22 9.226 -12.079 -8.747 1.00 20.51 N ATOM 0 H LYS A 22 7.771 -7.819 -6.483 1.00 1.11 H new ATOM 0 HA LYS A 22 9.957 -5.847 -6.564 1.00 54.43 H new ATOM 0 HB2 LYS A 22 10.834 -7.017 -8.625 1.00 15.10 H new ATOM 0 HB3 LYS A 22 11.124 -7.856 -7.113 1.00 15.10 H new ATOM 0 HG2 LYS A 22 8.641 -8.613 -8.631 1.00 63.25 H new ATOM 0 HG3 LYS A 22 10.176 -9.095 -9.326 1.00 63.25 H new ATOM 0 HD2 LYS A 22 10.747 -10.454 -7.447 1.00 2.42 H new ATOM 0 HD3 LYS A 22 9.577 -9.671 -6.405 1.00 2.42 H new ATOM 0 HE2 LYS A 22 8.449 -11.643 -6.842 1.00 54.05 H new ATOM 0 HE3 LYS A 22 7.812 -10.648 -8.136 1.00 54.05 H new ATOM 0 HZ1 LYS A 22 8.496 -12.794 -8.938 1.00 20.51 H new ATOM 0 HZ2 LYS A 22 9.461 -11.580 -9.629 1.00 20.51 H new ATOM 0 HZ3 LYS A 22 10.078 -12.545 -8.375 1.00 20.51 H new ATOM 327 N ASN A 23 7.259 -5.589 -7.701 1.00 24.43 N ATOM 328 CA ASN A 23 6.229 -5.166 -8.629 1.00 1.13 C ATOM 329 C ASN A 23 4.983 -4.803 -7.824 1.00 22.32 C ATOM 330 O ASN A 23 3.955 -5.467 -7.959 1.00 2.41 O ATOM 331 CB ASN A 23 5.928 -6.281 -9.680 1.00 14.20 C ATOM 332 CG ASN A 23 5.753 -7.701 -9.123 1.00 13.30 C ATOM 333 OD1 ASN A 23 5.997 -8.695 -9.796 1.00 1.41 O ATOM 334 ND2 ASN A 23 5.342 -7.857 -7.875 1.00 44.33 N ATOM 0 H ASN A 23 6.928 -5.708 -6.744 1.00 24.43 H new ATOM 0 HA ASN A 23 6.567 -4.295 -9.190 1.00 1.13 H new ATOM 0 HB2 ASN A 23 5.020 -6.009 -10.219 1.00 14.20 H new ATOM 0 HB3 ASN A 23 6.739 -6.295 -10.408 1.00 14.20 H new ATOM 0 HD21 ASN A 23 5.233 -8.794 -7.487 1.00 44.33 H new ATOM 0 HD22 ASN A 23 5.134 -7.040 -7.301 1.00 44.33 H new ATOM 340 N ILE A 24 5.047 -3.845 -6.891 1.00 51.42 N ATOM 341 CA ILE A 24 3.805 -3.429 -6.235 1.00 53.34 C ATOM 342 C ILE A 24 3.177 -2.347 -7.089 1.00 51.41 C ATOM 343 O ILE A 24 3.721 -1.244 -7.138 1.00 5.01 O ATOM 344 CB ILE A 24 3.989 -2.926 -4.796 1.00 25.32 C ATOM 345 CG1 ILE A 24 4.899 -3.809 -3.933 1.00 70.24 C ATOM 346 CG2 ILE A 24 2.597 -2.802 -4.152 1.00 25.43 C ATOM 347 CD1 ILE A 24 4.624 -5.296 -4.007 1.00 65.51 C ATOM 0 H ILE A 24 5.895 -3.367 -6.587 1.00 51.42 H new ATOM 0 HA ILE A 24 3.164 -4.307 -6.149 1.00 53.34 H new ATOM 0 HB ILE A 24 4.494 -1.962 -4.848 1.00 25.32 H new ATOM 0 HG12 ILE A 24 5.933 -3.633 -4.229 1.00 70.24 H new ATOM 0 HG13 ILE A 24 4.806 -3.491 -2.895 1.00 70.24 H new ATOM 0 HG21 ILE A 24 2.701 -2.446 -3.127 1.00 25.43 H new ATOM 0 HG22 ILE A 24 1.994 -2.096 -4.722 1.00 25.43 H new ATOM 0 HG23 ILE A 24 2.109 -3.777 -4.150 1.00 25.43 H new ATOM 0 HD11 ILE A 24 5.322 -5.828 -3.360 1.00 65.51 H new ATOM 0 HD12 ILE A 24 3.603 -5.494 -3.680 1.00 65.51 H new ATOM 0 HD13 ILE A 24 4.748 -5.638 -5.034 1.00 65.51 H new ATOM 358 N LYS A 25 2.042 -2.638 -7.715 1.00 12.31 N ATOM 359 CA LYS A 25 1.145 -1.622 -8.252 1.00 42.33 C ATOM 360 C LYS A 25 0.384 -1.068 -7.052 1.00 3.31 C ATOM 361 O LYS A 25 -0.186 -1.850 -6.286 1.00 4.11 O ATOM 362 CB LYS A 25 0.194 -2.271 -9.281 1.00 52.04 C ATOM 363 CG LYS A 25 0.035 -1.540 -10.622 1.00 3.10 C ATOM 364 CD LYS A 25 -0.669 -0.185 -10.533 1.00 74.34 C ATOM 365 CE LYS A 25 -2.168 -0.321 -10.246 1.00 10.32 C ATOM 366 NZ LYS A 25 -2.949 -0.800 -11.406 1.00 50.13 N ATOM 0 H LYS A 25 1.716 -3.593 -7.865 1.00 12.31 H new ATOM 0 HA LYS A 25 1.675 -0.823 -8.770 1.00 42.33 H new ATOM 0 HB2 LYS A 25 0.548 -3.282 -9.483 1.00 52.04 H new ATOM 0 HB3 LYS A 25 -0.791 -2.364 -8.824 1.00 52.04 H new ATOM 0 HG2 LYS A 25 1.023 -1.393 -11.059 1.00 3.10 H new ATOM 0 HG3 LYS A 25 -0.524 -2.180 -11.305 1.00 3.10 H new ATOM 0 HD2 LYS A 25 -0.205 0.411 -9.748 1.00 74.34 H new ATOM 0 HD3 LYS A 25 -0.529 0.356 -11.469 1.00 74.34 H new ATOM 0 HE2 LYS A 25 -2.309 -1.010 -9.413 1.00 10.32 H new ATOM 0 HE3 LYS A 25 -2.559 0.646 -9.929 1.00 10.32 H new ATOM 0 HZ1 LYS A 25 -3.901 -1.079 -11.093 1.00 50.13 H new ATOM 0 HZ2 LYS A 25 -3.026 -0.039 -12.111 1.00 50.13 H new ATOM 0 HZ3 LYS A 25 -2.471 -1.620 -11.832 1.00 50.13 H new ATOM 376 N VAL A 26 0.377 0.251 -6.876 1.00 72.53 N ATOM 377 CA VAL A 26 -0.577 0.902 -5.988 1.00 73.24 C ATOM 378 C VAL A 26 -1.320 1.966 -6.796 1.00 32.30 C ATOM 379 O VAL A 26 -0.773 2.518 -7.755 1.00 41.01 O ATOM 380 CB VAL A 26 0.110 1.444 -4.716 1.00 63.25 C ATOM 381 CG1 VAL A 26 0.750 2.824 -4.877 1.00 44.22 C ATOM 382 CG2 VAL A 26 -0.885 1.539 -3.553 1.00 53.04 C ATOM 0 H VAL A 26 1.024 0.890 -7.339 1.00 72.53 H new ATOM 0 HA VAL A 26 -1.309 0.186 -5.613 1.00 73.24 H new ATOM 0 HB VAL A 26 0.903 0.724 -4.515 1.00 63.25 H new ATOM 0 HG11 VAL A 26 1.208 3.125 -3.935 1.00 44.22 H new ATOM 0 HG12 VAL A 26 1.513 2.783 -5.655 1.00 44.22 H new ATOM 0 HG13 VAL A 26 -0.014 3.549 -5.156 1.00 44.22 H new ATOM 0 HG21 VAL A 26 -0.376 1.923 -2.669 1.00 53.04 H new ATOM 0 HG22 VAL A 26 -1.699 2.212 -3.824 1.00 53.04 H new ATOM 0 HG23 VAL A 26 -1.289 0.550 -3.338 1.00 53.04 H new ATOM 392 N THR A 27 -2.527 2.286 -6.355 1.00 51.32 N ATOM 393 CA THR A 27 -3.468 3.233 -6.911 1.00 11.20 C ATOM 394 C THR A 27 -4.084 3.949 -5.705 1.00 71.13 C ATOM 395 O THR A 27 -4.393 3.291 -4.709 1.00 24.14 O ATOM 396 CB THR A 27 -4.537 2.452 -7.696 1.00 74.14 C ATOM 397 OG1 THR A 27 -3.984 1.432 -8.499 1.00 34.24 O ATOM 398 CG2 THR A 27 -5.398 3.358 -8.574 1.00 24.40 C ATOM 0 H THR A 27 -2.904 1.843 -5.517 1.00 51.32 H new ATOM 0 HA THR A 27 -3.009 3.949 -7.593 1.00 11.20 H new ATOM 0 HB THR A 27 -5.167 1.997 -6.932 1.00 74.14 H new ATOM 0 HG1 THR A 27 -4.337 0.563 -8.213 1.00 34.24 H new ATOM 0 HG21 THR A 27 -6.135 2.756 -9.105 1.00 24.40 H new ATOM 0 HG22 THR A 27 -5.910 4.090 -7.950 1.00 24.40 H new ATOM 0 HG23 THR A 27 -4.764 3.875 -9.295 1.00 24.40 H new ATOM 406 N TRP A 28 -4.252 5.271 -5.752 1.00 54.31 N ATOM 407 CA TRP A 28 -4.722 6.086 -4.618 1.00 61.25 C ATOM 408 C TRP A 28 -5.767 7.122 -5.059 1.00 4.44 C ATOM 409 O TRP A 28 -6.061 8.105 -4.385 1.00 21.14 O ATOM 410 CB TRP A 28 -3.511 6.713 -3.918 1.00 25.24 C ATOM 411 CG TRP A 28 -2.644 7.608 -4.749 1.00 4.20 C ATOM 412 CD1 TRP A 28 -2.721 8.953 -4.807 1.00 64.45 C ATOM 413 CD2 TRP A 28 -1.576 7.243 -5.662 1.00 14.03 C ATOM 414 NE1 TRP A 28 -1.755 9.450 -5.655 1.00 14.33 N ATOM 415 CE2 TRP A 28 -1.033 8.430 -6.234 1.00 43.41 C ATOM 416 CE3 TRP A 28 -1.032 6.016 -6.074 1.00 74.22 C ATOM 417 CZ2 TRP A 28 -0.029 8.391 -7.212 1.00 5.41 C ATOM 418 CZ3 TRP A 28 -0.028 5.962 -7.054 1.00 10.34 C ATOM 419 CH2 TRP A 28 0.440 7.144 -7.659 1.00 24.51 C ATOM 0 H TRP A 28 -4.064 5.820 -6.591 1.00 54.31 H new ATOM 0 HA TRP A 28 -5.236 5.450 -3.898 1.00 61.25 H new ATOM 0 HB2 TRP A 28 -3.871 7.285 -3.063 1.00 25.24 H new ATOM 0 HB3 TRP A 28 -2.891 5.908 -3.524 1.00 25.24 H new ATOM 0 HD1 TRP A 28 -3.437 9.554 -4.266 1.00 64.45 H new ATOM 0 HE1 TRP A 28 -1.596 10.442 -5.831 1.00 14.33 H new ATOM 0 HE3 TRP A 28 -1.391 5.099 -5.630 1.00 74.22 H new ATOM 0 HZ2 TRP A 28 0.378 9.306 -7.616 1.00 5.41 H new ATOM 0 HZ3 TRP A 28 0.388 5.009 -7.345 1.00 10.34 H new ATOM 0 HH2 TRP A 28 1.158 7.092 -8.465 1.00 24.51 H new ATOM 429 N ASN A 29 -6.336 6.917 -6.235 1.00 41.12 N ATOM 430 CA ASN A 29 -7.509 7.616 -6.735 1.00 4.03 C ATOM 431 C ASN A 29 -8.125 6.728 -7.818 1.00 11.00 C ATOM 432 O ASN A 29 -7.843 5.528 -7.836 1.00 1.11 O ATOM 433 CB ASN A 29 -7.158 9.042 -7.193 1.00 43.22 C ATOM 434 CG ASN A 29 -8.229 9.987 -6.677 1.00 50.35 C ATOM 435 OD1 ASN A 29 -9.313 10.047 -7.249 1.00 50.33 O ATOM 436 ND2 ASN A 29 -8.002 10.626 -5.533 1.00 13.02 N ATOM 0 H ASN A 29 -5.977 6.229 -6.897 1.00 41.12 H new ATOM 0 HA ASN A 29 -8.254 7.774 -5.955 1.00 4.03 H new ATOM 0 HB2 ASN A 29 -6.179 9.333 -6.811 1.00 43.22 H new ATOM 0 HB3 ASN A 29 -7.103 9.089 -8.281 1.00 43.22 H new ATOM 0 HD21 ASN A 29 -8.740 11.186 -5.106 1.00 13.02 H new ATOM 0 HD22 ASN A 29 -7.090 10.556 -5.082 1.00 13.02 H new ATOM 442 N ASP A 30 -8.984 7.232 -8.700 1.00 70.32 N ATOM 443 CA ASP A 30 -9.623 6.408 -9.739 1.00 65.31 C ATOM 444 C ASP A 30 -8.693 6.132 -10.934 1.00 64.35 C ATOM 445 O ASP A 30 -9.044 6.383 -12.084 1.00 41.24 O ATOM 446 CB ASP A 30 -10.953 7.036 -10.167 1.00 4.03 C ATOM 447 CG ASP A 30 -11.860 6.021 -10.869 1.00 21.13 C ATOM 448 OD1 ASP A 30 -12.347 5.105 -10.155 1.00 10.24 O ATOM 449 OD2 ASP A 30 -12.154 6.144 -12.077 1.00 10.31 O ATOM 0 H ASP A 30 -9.259 8.214 -8.721 1.00 70.32 H new ATOM 0 HA ASP A 30 -9.833 5.430 -9.306 1.00 65.31 H new ATOM 0 HB2 ASP A 30 -11.464 7.436 -9.292 1.00 4.03 H new ATOM 0 HB3 ASP A 30 -10.761 7.875 -10.835 1.00 4.03 H new ATOM 453 N GLY A 31 -7.499 5.587 -10.685 1.00 63.42 N ATOM 454 CA GLY A 31 -6.509 5.257 -11.715 1.00 3.31 C ATOM 455 C GLY A 31 -5.279 6.160 -11.676 1.00 51.14 C ATOM 456 O GLY A 31 -4.448 6.125 -12.587 1.00 65.51 O ATOM 0 H GLY A 31 -7.187 5.358 -9.741 1.00 63.42 H new ATOM 0 HA2 GLY A 31 -6.195 4.221 -11.590 1.00 3.31 H new ATOM 0 HA3 GLY A 31 -6.976 5.332 -12.697 1.00 3.31 H new ATOM 460 N LYS A 32 -5.132 7.002 -10.650 1.00 10.22 N ATOM 461 CA LYS A 32 -3.857 7.599 -10.337 1.00 73.51 C ATOM 462 C LYS A 32 -3.045 6.508 -9.638 1.00 42.45 C ATOM 463 O LYS A 32 -3.438 6.081 -8.550 1.00 21.14 O ATOM 464 CB LYS A 32 -4.107 8.855 -9.500 1.00 53.42 C ATOM 465 CG LYS A 32 -2.804 9.523 -9.080 1.00 51.23 C ATOM 466 CD LYS A 32 -1.759 9.716 -10.194 1.00 70.53 C ATOM 467 CE LYS A 32 -2.321 10.526 -11.365 1.00 70.15 C ATOM 468 NZ LYS A 32 -1.593 10.265 -12.619 1.00 43.25 N ATOM 0 H LYS A 32 -5.891 7.279 -10.027 1.00 10.22 H new ATOM 0 HA LYS A 32 -3.288 7.936 -11.204 1.00 73.51 H new ATOM 0 HB2 LYS A 32 -4.709 9.560 -10.073 1.00 53.42 H new ATOM 0 HB3 LYS A 32 -4.683 8.592 -8.613 1.00 53.42 H new ATOM 0 HG2 LYS A 32 -3.039 10.499 -8.655 1.00 51.23 H new ATOM 0 HG3 LYS A 32 -2.354 8.929 -8.285 1.00 51.23 H new ATOM 0 HD2 LYS A 32 -0.884 10.223 -9.788 1.00 70.53 H new ATOM 0 HD3 LYS A 32 -1.425 8.742 -10.552 1.00 70.53 H new ATOM 0 HE2 LYS A 32 -3.375 10.283 -11.501 1.00 70.15 H new ATOM 0 HE3 LYS A 32 -2.267 11.589 -11.129 1.00 70.15 H new ATOM 0 HZ1 LYS A 32 -2.006 10.834 -13.385 1.00 43.25 H new ATOM 0 HZ2 LYS A 32 -0.592 10.521 -12.499 1.00 43.25 H new ATOM 0 HZ3 LYS A 32 -1.666 9.256 -12.859 1.00 43.25 H new ATOM 478 N GLU A 33 -2.009 5.994 -10.308 1.00 71.53 N ATOM 479 CA GLU A 33 -1.307 4.766 -9.950 1.00 24.32 C ATOM 480 C GLU A 33 0.182 4.836 -10.321 1.00 3.10 C ATOM 481 O GLU A 33 0.587 5.644 -11.166 1.00 65.34 O ATOM 482 CB GLU A 33 -1.996 3.567 -10.628 1.00 53.44 C ATOM 483 CG GLU A 33 -1.921 3.587 -12.157 1.00 2.02 C ATOM 484 CD GLU A 33 -2.872 2.576 -12.795 1.00 4.32 C ATOM 485 OE1 GLU A 33 -2.476 1.391 -12.902 1.00 10.10 O ATOM 486 OE2 GLU A 33 -3.975 2.977 -13.225 1.00 14.44 O ATOM 0 H GLU A 33 -1.626 6.439 -11.142 1.00 71.53 H new ATOM 0 HA GLU A 33 -1.355 4.639 -8.868 1.00 24.32 H new ATOM 0 HB2 GLU A 33 -1.540 2.646 -10.264 1.00 53.44 H new ATOM 0 HB3 GLU A 33 -3.043 3.545 -10.326 1.00 53.44 H new ATOM 0 HG2 GLU A 33 -2.161 4.587 -12.518 1.00 2.02 H new ATOM 0 HG3 GLU A 33 -0.900 3.372 -12.472 1.00 2.02 H new ATOM 491 N GLN A 34 1.004 3.974 -9.713 1.00 13.02 N ATOM 492 CA GLN A 34 2.430 3.796 -10.007 1.00 73.32 C ATOM 493 C GLN A 34 2.892 2.413 -9.544 1.00 65.34 C ATOM 494 O GLN A 34 2.161 1.734 -8.809 1.00 2.24 O ATOM 495 CB GLN A 34 3.263 4.940 -9.394 1.00 62.32 C ATOM 496 CG GLN A 34 3.418 4.950 -7.859 1.00 3.22 C ATOM 497 CD GLN A 34 4.857 4.642 -7.460 1.00 2.23 C ATOM 498 OE1 GLN A 34 5.781 5.383 -7.783 1.00 33.40 O ATOM 499 NE2 GLN A 34 5.113 3.526 -6.815 1.00 5.12 N ATOM 0 H GLN A 34 0.680 3.355 -8.970 1.00 13.02 H new ATOM 0 HA GLN A 34 2.586 3.845 -11.085 1.00 73.32 H new ATOM 0 HB2 GLN A 34 4.259 4.907 -9.835 1.00 62.32 H new ATOM 0 HB3 GLN A 34 2.812 5.886 -9.695 1.00 62.32 H new ATOM 0 HG2 GLN A 34 3.127 5.924 -7.466 1.00 3.22 H new ATOM 0 HG3 GLN A 34 2.747 4.214 -7.416 1.00 3.22 H new ATOM 0 HE21 GLN A 34 4.349 2.907 -6.544 1.00 5.12 H new ATOM 0 HE22 GLN A 34 6.076 3.279 -6.585 1.00 5.12 H new ATOM 506 N THR A 35 4.111 2.006 -9.914 1.00 33.42 N ATOM 507 CA THR A 35 4.727 0.784 -9.406 1.00 41.44 C ATOM 508 C THR A 35 6.029 1.108 -8.674 1.00 62.31 C ATOM 509 O THR A 35 6.724 2.056 -9.047 1.00 24.24 O ATOM 510 CB THR A 35 4.914 -0.272 -10.502 1.00 50.25 C ATOM 511 OG1 THR A 35 5.686 0.197 -11.585 1.00 40.35 O ATOM 512 CG2 THR A 35 3.582 -0.776 -11.051 1.00 64.52 C ATOM 0 H THR A 35 4.696 2.518 -10.575 1.00 33.42 H new ATOM 0 HA THR A 35 4.044 0.338 -8.683 1.00 41.44 H new ATOM 0 HB THR A 35 5.443 -1.090 -10.013 1.00 50.25 H new ATOM 0 HG1 THR A 35 5.777 -0.513 -12.254 1.00 40.35 H new ATOM 0 HG21 THR A 35 3.766 -1.522 -11.824 1.00 64.52 H new ATOM 0 HG22 THR A 35 3.002 -1.225 -10.244 1.00 64.52 H new ATOM 0 HG23 THR A 35 3.025 0.058 -11.477 1.00 64.52 H new ATOM 520 N VAL A 36 6.360 0.350 -7.624 1.00 40.42 N ATOM 521 CA VAL A 36 7.631 0.443 -6.939 1.00 21.11 C ATOM 522 C VAL A 36 8.691 -0.410 -7.654 1.00 1.44 C ATOM 523 O VAL A 36 8.369 -1.280 -8.472 1.00 75.52 O ATOM 524 CB VAL A 36 7.457 0.037 -5.469 1.00 20.32 C ATOM 525 CG1 VAL A 36 6.312 0.777 -4.761 1.00 31.52 C ATOM 526 CG2 VAL A 36 7.320 -1.458 -5.224 1.00 63.31 C ATOM 0 H VAL A 36 5.736 -0.353 -7.228 1.00 40.42 H new ATOM 0 HA VAL A 36 7.984 1.474 -6.961 1.00 21.11 H new ATOM 0 HB VAL A 36 8.404 0.347 -5.028 1.00 20.32 H new ATOM 0 HG11 VAL A 36 6.247 0.441 -3.726 1.00 31.52 H new ATOM 0 HG12 VAL A 36 6.504 1.850 -4.783 1.00 31.52 H new ATOM 0 HG13 VAL A 36 5.372 0.566 -5.271 1.00 31.52 H new ATOM 0 HG21 VAL A 36 7.202 -1.642 -4.156 1.00 63.31 H new ATOM 0 HG22 VAL A 36 6.447 -1.835 -5.756 1.00 63.31 H new ATOM 0 HG23 VAL A 36 8.213 -1.969 -5.584 1.00 63.31 H new ATOM 536 N ASN A 37 9.954 -0.211 -7.272 1.00 52.21 N ATOM 537 CA ASN A 37 11.070 -1.091 -7.600 1.00 20.12 C ATOM 538 C ASN A 37 10.860 -2.453 -6.905 1.00 75.13 C ATOM 539 O ASN A 37 10.238 -3.337 -7.489 1.00 60.23 O ATOM 540 CB ASN A 37 12.390 -0.350 -7.269 1.00 41.41 C ATOM 541 CG ASN A 37 13.507 -1.208 -6.692 1.00 1.14 C ATOM 542 OD1 ASN A 37 14.029 -2.114 -7.335 1.00 60.13 O ATOM 543 ND2 ASN A 37 13.833 -0.999 -5.429 1.00 20.10 N ATOM 0 H ASN A 37 10.234 0.592 -6.709 1.00 52.21 H new ATOM 0 HA ASN A 37 11.129 -1.329 -8.662 1.00 20.12 H new ATOM 0 HB2 ASN A 37 12.756 0.124 -8.180 1.00 41.41 H new ATOM 0 HB3 ASN A 37 12.168 0.448 -6.561 1.00 41.41 H new ATOM 0 HD21 ASN A 37 14.527 -1.594 -4.976 1.00 20.10 H new ATOM 0 HD22 ASN A 37 13.391 -0.242 -4.907 1.00 20.10 H new ATOM 549 N THR A 38 11.270 -2.630 -5.650 1.00 42.41 N ATOM 550 CA THR A 38 11.358 -3.921 -4.980 1.00 44.42 C ATOM 551 C THR A 38 11.239 -3.680 -3.470 1.00 44.11 C ATOM 552 O THR A 38 11.471 -2.560 -3.014 1.00 20.53 O ATOM 553 CB THR A 38 12.695 -4.603 -5.375 1.00 60.42 C ATOM 554 OG1 THR A 38 12.916 -4.624 -6.779 1.00 15.44 O ATOM 555 CG2 THR A 38 12.844 -6.046 -4.894 1.00 71.43 C ATOM 0 H THR A 38 11.558 -1.853 -5.055 1.00 42.41 H new ATOM 0 HA THR A 38 10.554 -4.592 -5.280 1.00 44.42 H new ATOM 0 HB THR A 38 13.430 -3.976 -4.870 1.00 60.42 H new ATOM 0 HG1 THR A 38 13.308 -3.771 -7.061 1.00 15.44 H new ATOM 0 HG21 THR A 38 13.808 -6.439 -5.217 1.00 71.43 H new ATOM 0 HG22 THR A 38 12.786 -6.075 -3.806 1.00 71.43 H new ATOM 0 HG23 THR A 38 12.044 -6.655 -5.316 1.00 71.43 H new ATOM 563 N LEU A 39 10.857 -4.700 -2.703 1.00 1.30 N ATOM 564 CA LEU A 39 10.682 -4.676 -1.260 1.00 4.10 C ATOM 565 C LEU A 39 11.176 -6.012 -0.716 1.00 42.23 C ATOM 566 O LEU A 39 10.535 -7.048 -0.919 1.00 54.42 O ATOM 567 CB LEU A 39 9.207 -4.407 -0.899 1.00 23.53 C ATOM 568 CG LEU A 39 8.928 -3.223 0.037 1.00 35.13 C ATOM 569 CD1 LEU A 39 9.699 -1.950 -0.312 1.00 1.40 C ATOM 570 CD2 LEU A 39 7.430 -2.912 0.005 1.00 10.42 C ATOM 0 H LEU A 39 10.650 -5.617 -3.100 1.00 1.30 H new ATOM 0 HA LEU A 39 11.258 -3.868 -0.808 1.00 4.10 H new ATOM 0 HB2 LEU A 39 8.655 -4.246 -1.825 1.00 23.53 H new ATOM 0 HB3 LEU A 39 8.800 -5.307 -0.438 1.00 23.53 H new ATOM 0 HG LEU A 39 9.266 -3.528 1.027 1.00 35.13 H new ATOM 0 HD11 LEU A 39 9.444 -1.164 0.398 1.00 1.40 H new ATOM 0 HD12 LEU A 39 10.770 -2.148 -0.264 1.00 1.40 H new ATOM 0 HD13 LEU A 39 9.434 -1.629 -1.319 1.00 1.40 H new ATOM 0 HD21 LEU A 39 7.219 -2.072 0.667 1.00 10.42 H new ATOM 0 HD22 LEU A 39 7.133 -2.657 -1.012 1.00 10.42 H new ATOM 0 HD23 LEU A 39 6.870 -3.786 0.338 1.00 10.42 H new ATOM 581 N GLY A 40 12.327 -5.957 -0.054 1.00 71.23 N ATOM 582 CA GLY A 40 12.977 -7.068 0.622 1.00 22.34 C ATOM 583 C GLY A 40 12.216 -7.486 1.880 1.00 12.14 C ATOM 584 O GLY A 40 11.159 -6.937 2.195 1.00 34.44 O ATOM 0 H GLY A 40 12.857 -5.090 0.028 1.00 71.23 H new ATOM 0 HA2 GLY A 40 13.049 -7.916 -0.059 1.00 22.34 H new ATOM 0 HA3 GLY A 40 13.995 -6.786 0.889 1.00 22.34 H new ATOM 588 N SER A 41 12.730 -8.466 2.623 1.00 35.01 N ATOM 589 CA SER A 41 12.102 -8.906 3.865 1.00 31.11 C ATOM 590 C SER A 41 12.054 -7.747 4.858 1.00 15.53 C ATOM 591 O SER A 41 13.096 -7.131 5.113 1.00 4.32 O ATOM 592 CB SER A 41 12.898 -10.054 4.501 1.00 72.41 C ATOM 593 OG SER A 41 13.697 -10.755 3.563 1.00 24.41 O ATOM 0 H SER A 41 13.583 -8.971 2.383 1.00 35.01 H new ATOM 0 HA SER A 41 11.094 -9.249 3.630 1.00 31.11 H new ATOM 0 HB2 SER A 41 13.537 -9.654 5.288 1.00 72.41 H new ATOM 0 HB3 SER A 41 12.206 -10.751 4.975 1.00 72.41 H new ATOM 0 HG SER A 41 14.183 -11.473 4.019 1.00 24.41 H new ATOM 598 N HIS A 42 10.871 -7.465 5.414 1.00 51.51 N ATOM 599 CA HIS A 42 10.631 -6.366 6.344 1.00 10.13 C ATOM 600 C HIS A 42 11.168 -5.029 5.807 1.00 43.13 C ATOM 601 O HIS A 42 11.471 -4.114 6.577 1.00 12.33 O ATOM 602 CB HIS A 42 11.072 -6.767 7.768 1.00 63.03 C ATOM 603 CG HIS A 42 9.985 -7.490 8.531 1.00 73.05 C ATOM 604 ND1 HIS A 42 9.468 -7.119 9.754 1.00 64.41 N ATOM 605 CD2 HIS A 42 9.298 -8.601 8.117 1.00 63.05 C ATOM 606 CE1 HIS A 42 8.483 -7.977 10.063 1.00 51.12 C ATOM 607 NE2 HIS A 42 8.332 -8.891 9.089 1.00 50.11 N ATOM 0 H HIS A 42 10.033 -8.013 5.221 1.00 51.51 H new ATOM 0 HA HIS A 42 9.561 -6.174 6.430 1.00 10.13 H new ATOM 0 HB2 HIS A 42 11.953 -7.406 7.705 1.00 63.03 H new ATOM 0 HB3 HIS A 42 11.365 -5.873 8.319 1.00 63.03 H new ATOM 0 HD2 HIS A 42 9.470 -9.154 7.205 1.00 63.05 H new ATOM 0 HE1 HIS A 42 7.894 -7.938 10.968 1.00 51.12 H new ATOM 0 HE2 HIS A 42 7.648 -9.647 9.063 1.00 50.11 H new ATOM 614 N ASP A 43 11.254 -4.883 4.482 1.00 51.25 N ATOM 615 CA ASP A 43 11.591 -3.620 3.844 1.00 24.00 C ATOM 616 C ASP A 43 10.420 -2.660 3.964 1.00 40.34 C ATOM 617 O ASP A 43 9.311 -3.019 4.382 1.00 32.34 O ATOM 618 CB ASP A 43 11.942 -3.826 2.370 1.00 61.32 C ATOM 619 CG ASP A 43 12.917 -2.832 1.753 1.00 4.50 C ATOM 620 OD1 ASP A 43 13.170 -1.754 2.329 1.00 2.21 O ATOM 621 OD2 ASP A 43 13.463 -3.191 0.685 1.00 32.01 O ATOM 0 H ASP A 43 11.090 -5.645 3.824 1.00 51.25 H new ATOM 0 HA ASP A 43 12.463 -3.202 4.347 1.00 24.00 H new ATOM 0 HB2 ASP A 43 12.359 -4.827 2.256 1.00 61.32 H new ATOM 0 HB3 ASP A 43 11.018 -3.798 1.793 1.00 61.32 H new ATOM 625 N SER A 44 10.670 -1.439 3.532 1.00 62.25 N ATOM 626 CA SER A 44 9.641 -0.458 3.266 1.00 55.41 C ATOM 627 C SER A 44 10.107 0.532 2.202 1.00 3.44 C ATOM 628 O SER A 44 11.293 0.627 1.877 1.00 15.30 O ATOM 629 CB SER A 44 9.176 0.220 4.566 1.00 73.22 C ATOM 630 OG SER A 44 10.236 0.568 5.441 1.00 31.14 O ATOM 0 H SER A 44 11.614 -1.096 3.353 1.00 62.25 H new ATOM 0 HA SER A 44 8.765 -0.962 2.859 1.00 55.41 H new ATOM 0 HB2 SER A 44 8.615 1.120 4.315 1.00 73.22 H new ATOM 0 HB3 SER A 44 8.491 -0.448 5.088 1.00 73.22 H new ATOM 0 HG SER A 44 9.871 0.995 6.244 1.00 31.14 H new ATOM 635 N ILE A 45 9.143 1.236 1.629 1.00 14.00 N ATOM 636 CA ILE A 45 9.322 2.295 0.660 1.00 33.30 C ATOM 637 C ILE A 45 8.227 3.287 0.949 1.00 22.31 C ATOM 638 O ILE A 45 7.085 2.902 1.203 1.00 71.15 O ATOM 639 CB ILE A 45 9.265 1.745 -0.775 1.00 43.32 C ATOM 640 CG1 ILE A 45 9.526 2.872 -1.786 1.00 14.00 C ATOM 641 CG2 ILE A 45 7.973 0.964 -1.094 1.00 35.11 C ATOM 642 CD1 ILE A 45 9.356 2.445 -3.240 1.00 35.22 C ATOM 0 H ILE A 45 8.160 1.070 1.843 1.00 14.00 H new ATOM 0 HA ILE A 45 10.300 2.769 0.739 1.00 33.30 H new ATOM 0 HB ILE A 45 10.061 1.006 -0.861 1.00 43.32 H new ATOM 0 HG12 ILE A 45 8.847 3.699 -1.578 1.00 14.00 H new ATOM 0 HG13 ILE A 45 10.539 3.248 -1.643 1.00 14.00 H new ATOM 0 HG21 ILE A 45 8.008 0.608 -2.124 1.00 35.11 H new ATOM 0 HG22 ILE A 45 7.886 0.113 -0.419 1.00 35.11 H new ATOM 0 HG23 ILE A 45 7.111 1.619 -0.965 1.00 35.11 H new ATOM 0 HD11 ILE A 45 9.557 3.293 -3.894 1.00 35.22 H new ATOM 0 HD12 ILE A 45 10.054 1.639 -3.467 1.00 35.22 H new ATOM 0 HD13 ILE A 45 8.336 2.097 -3.400 1.00 35.22 H new ATOM 653 N ASP A 46 8.568 4.556 0.865 1.00 11.11 N ATOM 654 CA ASP A 46 7.666 5.656 0.948 1.00 14.21 C ATOM 655 C ASP A 46 7.827 6.457 -0.318 1.00 61.32 C ATOM 656 O ASP A 46 8.934 6.600 -0.846 1.00 42.42 O ATOM 657 CB ASP A 46 7.916 6.524 2.171 1.00 62.31 C ATOM 658 CG ASP A 46 9.318 7.087 2.375 1.00 62.14 C ATOM 659 OD1 ASP A 46 9.634 8.195 1.883 1.00 40.13 O ATOM 660 OD2 ASP A 46 10.071 6.467 3.161 1.00 12.23 O ATOM 0 H ASP A 46 9.535 4.850 0.730 1.00 11.11 H new ATOM 0 HA ASP A 46 6.647 5.284 1.054 1.00 14.21 H new ATOM 0 HB2 ASP A 46 7.222 7.363 2.132 1.00 62.31 H new ATOM 0 HB3 ASP A 46 7.660 5.939 3.054 1.00 62.31 H new ATOM 664 N PHE A 47 6.694 6.932 -0.811 1.00 2.01 N ATOM 665 CA PHE A 47 6.648 7.779 -1.986 1.00 21.20 C ATOM 666 C PHE A 47 5.560 8.839 -1.829 1.00 1.10 C ATOM 667 O PHE A 47 4.402 8.559 -1.487 1.00 25.12 O ATOM 668 CB PHE A 47 6.487 6.939 -3.263 1.00 2.42 C ATOM 669 CG PHE A 47 5.519 5.778 -3.160 1.00 44.44 C ATOM 670 CD1 PHE A 47 4.166 5.981 -3.450 1.00 14.10 C ATOM 671 CD2 PHE A 47 5.963 4.502 -2.768 1.00 30.22 C ATOM 672 CE1 PHE A 47 3.256 4.916 -3.385 1.00 2.30 C ATOM 673 CE2 PHE A 47 5.047 3.442 -2.647 1.00 14.03 C ATOM 674 CZ PHE A 47 3.697 3.653 -2.960 1.00 4.43 C ATOM 0 H PHE A 47 5.779 6.739 -0.404 1.00 2.01 H new ATOM 0 HA PHE A 47 7.597 8.307 -2.086 1.00 21.20 H new ATOM 0 HB2 PHE A 47 6.157 7.594 -4.069 1.00 2.42 H new ATOM 0 HB3 PHE A 47 7.465 6.550 -3.548 1.00 2.42 H new ATOM 0 HD1 PHE A 47 3.819 6.966 -3.726 1.00 14.10 H new ATOM 0 HD2 PHE A 47 7.010 4.336 -2.560 1.00 30.22 H new ATOM 0 HE1 PHE A 47 2.223 5.067 -3.660 1.00 2.30 H new ATOM 0 HE2 PHE A 47 5.382 2.470 -2.315 1.00 14.03 H new ATOM 0 HZ PHE A 47 2.992 2.839 -2.874 1.00 4.43 H new ATOM 683 N SER A 48 5.942 10.076 -2.135 1.00 71.33 N ATOM 684 CA SER A 48 5.027 11.187 -2.303 1.00 11.13 C ATOM 685 C SER A 48 4.103 10.847 -3.460 1.00 50.25 C ATOM 686 O SER A 48 4.523 10.210 -4.434 1.00 64.34 O ATOM 687 CB SER A 48 5.838 12.461 -2.574 1.00 43.34 C ATOM 688 OG SER A 48 5.005 13.590 -2.756 1.00 74.22 O ATOM 0 H SER A 48 6.919 10.333 -2.275 1.00 71.33 H new ATOM 0 HA SER A 48 4.427 11.361 -1.410 1.00 11.13 H new ATOM 0 HB2 SER A 48 6.518 12.642 -1.741 1.00 43.34 H new ATOM 0 HB3 SER A 48 6.453 12.317 -3.462 1.00 43.34 H new ATOM 0 HG SER A 48 5.558 14.381 -2.924 1.00 74.22 H new ATOM 693 N SER A 49 2.850 11.268 -3.355 1.00 73.33 N ATOM 694 CA SER A 49 1.763 10.742 -4.156 1.00 1.23 C ATOM 695 C SER A 49 0.948 11.914 -4.689 1.00 31.41 C ATOM 696 O SER A 49 0.685 12.891 -3.978 1.00 12.12 O ATOM 697 CB SER A 49 0.932 9.751 -3.328 1.00 62.21 C ATOM 698 OG SER A 49 1.578 9.356 -2.120 1.00 51.24 O ATOM 0 H SER A 49 2.560 11.995 -2.701 1.00 73.33 H new ATOM 0 HA SER A 49 2.139 10.181 -5.012 1.00 1.23 H new ATOM 0 HB2 SER A 49 -0.030 10.204 -3.088 1.00 62.21 H new ATOM 0 HB3 SER A 49 0.726 8.866 -3.930 1.00 62.21 H new ATOM 0 HG SER A 49 2.480 9.030 -2.323 1.00 51.24 H new ATOM 703 N ASP A 50 0.594 11.834 -5.970 1.00 45.24 N ATOM 704 CA ASP A 50 0.023 12.936 -6.732 1.00 2.02 C ATOM 705 C ASP A 50 -1.475 13.050 -6.478 1.00 22.54 C ATOM 706 O ASP A 50 -2.297 12.790 -7.357 1.00 11.34 O ATOM 707 CB ASP A 50 0.293 12.745 -8.226 1.00 30.32 C ATOM 708 CG ASP A 50 0.313 14.111 -8.910 1.00 41.35 C ATOM 709 OD1 ASP A 50 -0.724 14.808 -8.958 1.00 23.31 O ATOM 710 OD2 ASP A 50 1.423 14.539 -9.301 1.00 33.21 O ATOM 0 H ASP A 50 0.700 10.980 -6.517 1.00 45.24 H new ATOM 0 HA ASP A 50 0.498 13.860 -6.404 1.00 2.02 H new ATOM 0 HB2 ASP A 50 1.246 12.237 -8.374 1.00 30.32 H new ATOM 0 HB3 ASP A 50 -0.477 12.114 -8.669 1.00 30.32 H new ATOM 714 N ALA A 51 -1.855 13.346 -5.243 1.00 10.22 N ATOM 715 CA ALA A 51 -3.243 13.558 -4.901 1.00 51.41 C ATOM 716 C ALA A 51 -3.285 14.386 -3.631 1.00 3.42 C ATOM 717 O ALA A 51 -2.642 14.034 -2.641 1.00 1.22 O ATOM 718 CB ALA A 51 -3.928 12.201 -4.775 1.00 23.32 C ATOM 0 H ALA A 51 -1.210 13.444 -4.459 1.00 10.22 H new ATOM 0 HA ALA A 51 -3.786 14.109 -5.669 1.00 51.41 H new ATOM 0 HB1 ALA A 51 -4.977 12.346 -4.517 1.00 23.32 H new ATOM 0 HB2 ALA A 51 -3.858 11.668 -5.723 1.00 23.32 H new ATOM 0 HB3 ALA A 51 -3.439 11.618 -3.994 1.00 23.32 H new ATOM 724 N GLY A 52 -3.989 15.513 -3.665 1.00 44.15 N ATOM 725 CA GLY A 52 -4.060 16.408 -2.521 1.00 62.21 C ATOM 726 C GLY A 52 -4.907 15.848 -1.380 1.00 51.45 C ATOM 727 O GLY A 52 -4.724 16.239 -0.230 1.00 50.04 O ATOM 0 H GLY A 52 -4.520 15.827 -4.477 1.00 44.15 H new ATOM 0 HA2 GLY A 52 -3.052 16.604 -2.156 1.00 62.21 H new ATOM 0 HA3 GLY A 52 -4.475 17.364 -2.839 1.00 62.21 H new ATOM 731 N SER A 53 -5.805 14.915 -1.687 1.00 74.13 N ATOM 732 CA SER A 53 -6.557 14.109 -0.740 1.00 4.34 C ATOM 733 C SER A 53 -6.547 12.687 -1.298 1.00 43.03 C ATOM 734 O SER A 53 -6.596 12.507 -2.520 1.00 10.44 O ATOM 735 CB SER A 53 -8.004 14.627 -0.578 1.00 1.20 C ATOM 736 OG SER A 53 -8.349 15.689 -1.457 1.00 30.51 O ATOM 0 H SER A 53 -6.037 14.692 -2.655 1.00 74.13 H new ATOM 0 HA SER A 53 -6.108 14.154 0.252 1.00 4.34 H new ATOM 0 HB2 SER A 53 -8.694 13.799 -0.740 1.00 1.20 H new ATOM 0 HB3 SER A 53 -8.144 14.962 0.450 1.00 1.20 H new ATOM 0 HG SER A 53 -9.277 15.959 -1.295 1.00 30.51 H new ATOM 741 N VAL A 54 -6.532 11.678 -0.431 1.00 45.25 N ATOM 742 CA VAL A 54 -6.799 10.299 -0.811 1.00 22.13 C ATOM 743 C VAL A 54 -7.831 9.777 0.176 1.00 11.14 C ATOM 744 O VAL A 54 -7.933 10.251 1.309 1.00 63.40 O ATOM 745 CB VAL A 54 -5.497 9.466 -0.817 1.00 72.24 C ATOM 746 CG1 VAL A 54 -5.710 7.955 -1.023 1.00 21.22 C ATOM 747 CG2 VAL A 54 -4.593 9.958 -1.953 1.00 13.01 C ATOM 0 H VAL A 54 -6.332 11.798 0.562 1.00 45.25 H new ATOM 0 HA VAL A 54 -7.188 10.226 -1.827 1.00 22.13 H new ATOM 0 HB VAL A 54 -5.054 9.604 0.169 1.00 72.24 H new ATOM 0 HG11 VAL A 54 -4.746 7.447 -1.014 1.00 21.22 H new ATOM 0 HG12 VAL A 54 -6.334 7.563 -0.220 1.00 21.22 H new ATOM 0 HG13 VAL A 54 -6.201 7.784 -1.981 1.00 21.22 H new ATOM 0 HG21 VAL A 54 -3.672 9.375 -1.964 1.00 13.01 H new ATOM 0 HG22 VAL A 54 -5.109 9.839 -2.906 1.00 13.01 H new ATOM 0 HG23 VAL A 54 -4.354 11.010 -1.798 1.00 13.01 H new ATOM 757 N TYR A 55 -8.615 8.811 -0.286 1.00 1.23 N ATOM 758 CA TYR A 55 -9.645 8.156 0.489 1.00 63.42 C ATOM 759 C TYR A 55 -9.965 6.756 -0.053 1.00 14.15 C ATOM 760 O TYR A 55 -10.794 6.076 0.538 1.00 11.41 O ATOM 761 CB TYR A 55 -10.867 9.073 0.582 1.00 14.24 C ATOM 762 CG TYR A 55 -11.207 9.836 -0.690 1.00 31.25 C ATOM 763 CD1 TYR A 55 -11.583 9.139 -1.854 1.00 4.45 C ATOM 764 CD2 TYR A 55 -11.067 11.237 -0.728 1.00 1.03 C ATOM 765 CE1 TYR A 55 -11.829 9.838 -3.049 1.00 21.14 C ATOM 766 CE2 TYR A 55 -11.348 11.947 -1.907 1.00 42.42 C ATOM 767 CZ TYR A 55 -11.734 11.248 -3.070 1.00 42.30 C ATOM 768 OH TYR A 55 -12.011 11.938 -4.206 1.00 74.21 O ATOM 0 H TYR A 55 -8.544 8.456 -1.240 1.00 1.23 H new ATOM 0 HA TYR A 55 -9.284 7.985 1.503 1.00 63.42 H new ATOM 0 HB2 TYR A 55 -11.731 8.472 0.867 1.00 14.24 H new ATOM 0 HB3 TYR A 55 -10.700 9.792 1.384 1.00 14.24 H new ATOM 0 HD1 TYR A 55 -11.683 8.064 -1.829 1.00 4.45 H new ATOM 0 HD2 TYR A 55 -10.742 11.768 0.154 1.00 1.03 H new ATOM 0 HE1 TYR A 55 -12.090 9.299 -3.948 1.00 21.14 H new ATOM 0 HE2 TYR A 55 -11.269 13.024 -1.923 1.00 42.42 H new ATOM 0 HH TYR A 55 -11.896 12.897 -4.042 1.00 74.21 H new ATOM 777 N LYS A 56 -9.301 6.272 -1.111 1.00 2.33 N ATOM 778 CA LYS A 56 -9.378 4.893 -1.611 1.00 42.03 C ATOM 779 C LYS A 56 -7.976 4.451 -1.970 1.00 10.25 C ATOM 780 O LYS A 56 -7.144 5.283 -2.334 1.00 62.41 O ATOM 781 CB LYS A 56 -10.343 4.785 -2.815 1.00 24.14 C ATOM 782 CG LYS A 56 -9.934 5.669 -4.015 1.00 31.21 C ATOM 783 CD LYS A 56 -10.995 5.831 -5.115 1.00 51.04 C ATOM 784 CE LYS A 56 -10.904 4.812 -6.258 1.00 70.54 C ATOM 785 NZ LYS A 56 -11.145 3.423 -5.830 1.00 65.21 N ATOM 0 H LYS A 56 -8.671 6.853 -1.664 1.00 2.33 H new ATOM 0 HA LYS A 56 -9.783 4.236 -0.841 1.00 42.03 H new ATOM 0 HB2 LYS A 56 -10.391 3.746 -3.140 1.00 24.14 H new ATOM 0 HB3 LYS A 56 -11.346 5.065 -2.493 1.00 24.14 H new ATOM 0 HG2 LYS A 56 -9.671 6.658 -3.641 1.00 31.21 H new ATOM 0 HG3 LYS A 56 -9.034 5.248 -4.463 1.00 31.21 H new ATOM 0 HD2 LYS A 56 -11.983 5.757 -4.660 1.00 51.04 H new ATOM 0 HD3 LYS A 56 -10.912 6.834 -5.535 1.00 51.04 H new ATOM 0 HE2 LYS A 56 -11.628 5.077 -7.028 1.00 70.54 H new ATOM 0 HE3 LYS A 56 -9.916 4.877 -6.714 1.00 70.54 H new ATOM 0 HZ1 LYS A 56 -11.169 2.802 -6.664 1.00 65.21 H new ATOM 0 HZ2 LYS A 56 -10.381 3.118 -5.193 1.00 65.21 H new ATOM 0 HZ3 LYS A 56 -12.055 3.367 -5.330 1.00 65.21 H new ATOM 795 N MET A 57 -7.710 3.156 -1.854 1.00 52.23 N ATOM 796 CA MET A 57 -6.428 2.589 -2.219 1.00 62.34 C ATOM 797 C MET A 57 -6.690 1.238 -2.836 1.00 50.12 C ATOM 798 O MET A 57 -7.380 0.409 -2.253 1.00 54.02 O ATOM 799 CB MET A 57 -5.509 2.512 -1.002 1.00 21.55 C ATOM 800 CG MET A 57 -4.156 1.911 -1.395 1.00 72.21 C ATOM 801 SD MET A 57 -2.798 2.415 -0.323 1.00 4.11 S ATOM 802 CE MET A 57 -2.544 4.091 -0.956 1.00 32.31 C ATOM 0 H MET A 57 -8.381 2.473 -1.503 1.00 52.23 H new ATOM 0 HA MET A 57 -5.910 3.217 -2.944 1.00 62.34 H new ATOM 0 HB2 MET A 57 -5.364 3.508 -0.583 1.00 21.55 H new ATOM 0 HB3 MET A 57 -5.973 1.904 -0.225 1.00 21.55 H new ATOM 0 HG2 MET A 57 -4.234 0.824 -1.381 1.00 72.21 H new ATOM 0 HG3 MET A 57 -3.924 2.200 -2.420 1.00 72.21 H new ATOM 0 HE1 MET A 57 -2.205 4.738 -0.147 1.00 32.31 H new ATOM 0 HE2 MET A 57 -1.792 4.072 -1.745 1.00 32.31 H new ATOM 0 HE3 MET A 57 -3.482 4.474 -1.358 1.00 32.31 H new ATOM 810 N ASP A 58 -6.154 1.026 -4.028 1.00 3.22 N ATOM 811 CA ASP A 58 -6.088 -0.274 -4.665 1.00 62.33 C ATOM 812 C ASP A 58 -4.615 -0.642 -4.719 1.00 70.25 C ATOM 813 O ASP A 58 -3.787 0.117 -5.214 1.00 32.11 O ATOM 814 CB ASP A 58 -6.768 -0.263 -6.041 1.00 11.23 C ATOM 815 CG ASP A 58 -6.067 -1.204 -7.016 1.00 51.31 C ATOM 816 OD1 ASP A 58 -6.186 -2.424 -6.801 1.00 51.42 O ATOM 817 OD2 ASP A 58 -5.413 -0.703 -7.961 1.00 33.21 O ATOM 0 H ASP A 58 -5.744 1.772 -4.590 1.00 3.22 H new ATOM 0 HA ASP A 58 -6.637 -1.030 -4.103 1.00 62.33 H new ATOM 0 HB2 ASP A 58 -7.812 -0.558 -5.935 1.00 11.23 H new ATOM 0 HB3 ASP A 58 -6.763 0.750 -6.443 1.00 11.23 H new ATOM 821 N VAL A 59 -4.290 -1.776 -4.124 1.00 71.44 N ATOM 822 CA VAL A 59 -2.995 -2.415 -4.183 1.00 30.10 C ATOM 823 C VAL A 59 -3.156 -3.727 -4.943 1.00 24.12 C ATOM 824 O VAL A 59 -4.144 -4.444 -4.757 1.00 70.12 O ATOM 825 CB VAL A 59 -2.460 -2.715 -2.769 1.00 42.33 C ATOM 826 CG1 VAL A 59 -0.962 -2.993 -2.910 1.00 62.52 C ATOM 827 CG2 VAL A 59 -2.700 -1.631 -1.706 1.00 73.35 C ATOM 0 H VAL A 59 -4.959 -2.299 -3.559 1.00 71.44 H new ATOM 0 HA VAL A 59 -2.287 -1.752 -4.680 1.00 30.10 H new ATOM 0 HB VAL A 59 -3.025 -3.567 -2.392 1.00 42.33 H new ATOM 0 HG11 VAL A 59 -0.539 -3.211 -1.930 1.00 62.52 H new ATOM 0 HG12 VAL A 59 -0.811 -3.848 -3.569 1.00 62.52 H new ATOM 0 HG13 VAL A 59 -0.468 -2.118 -3.332 1.00 62.52 H new ATOM 0 HG21 VAL A 59 -2.280 -1.956 -0.754 1.00 73.35 H new ATOM 0 HG22 VAL A 59 -2.220 -0.703 -2.017 1.00 73.35 H new ATOM 0 HG23 VAL A 59 -3.771 -1.464 -1.592 1.00 73.35 H new ATOM 837 N THR A 60 -2.145 -4.095 -5.724 1.00 53.14 N ATOM 838 CA THR A 60 -2.031 -5.406 -6.333 1.00 41.45 C ATOM 839 C THR A 60 -0.544 -5.625 -6.634 1.00 21.30 C ATOM 840 O THR A 60 0.092 -4.833 -7.336 1.00 54.41 O ATOM 841 CB THR A 60 -3.011 -5.522 -7.524 1.00 5.31 C ATOM 842 OG1 THR A 60 -2.745 -6.653 -8.338 1.00 70.53 O ATOM 843 CG2 THR A 60 -3.044 -4.282 -8.408 1.00 51.13 C ATOM 0 H THR A 60 -1.369 -3.474 -5.953 1.00 53.14 H new ATOM 0 HA THR A 60 -2.338 -6.224 -5.682 1.00 41.45 H new ATOM 0 HB THR A 60 -3.988 -5.634 -7.054 1.00 5.31 H new ATOM 0 HG1 THR A 60 -3.390 -6.685 -9.075 1.00 70.53 H new ATOM 0 HG21 THR A 60 -3.752 -4.434 -9.222 1.00 51.13 H new ATOM 0 HG22 THR A 60 -3.352 -3.421 -7.815 1.00 51.13 H new ATOM 0 HG23 THR A 60 -2.051 -4.102 -8.820 1.00 51.13 H new ATOM 851 N GLY A 61 0.049 -6.660 -6.043 1.00 43.41 N ATOM 852 CA GLY A 61 1.463 -6.991 -6.205 1.00 64.24 C ATOM 853 C GLY A 61 1.625 -8.507 -6.315 1.00 44.34 C ATOM 854 O GLY A 61 0.648 -9.245 -6.235 1.00 63.31 O ATOM 0 H GLY A 61 -0.448 -7.303 -5.427 1.00 43.41 H new ATOM 0 HA2 GLY A 61 1.860 -6.507 -7.097 1.00 64.24 H new ATOM 0 HA3 GLY A 61 2.035 -6.615 -5.357 1.00 64.24 H new ATOM 858 N THR A 62 2.852 -8.974 -6.561 1.00 52.15 N ATOM 859 CA THR A 62 3.171 -10.385 -6.783 1.00 3.43 C ATOM 860 C THR A 62 4.456 -10.753 -6.012 1.00 11.00 C ATOM 861 O THR A 62 5.400 -9.951 -5.984 1.00 23.50 O ATOM 862 CB THR A 62 3.298 -10.668 -8.300 1.00 23.13 C ATOM 863 OG1 THR A 62 2.288 -9.988 -9.030 1.00 43.45 O ATOM 864 CG2 THR A 62 3.259 -12.152 -8.694 1.00 42.41 C ATOM 0 H THR A 62 3.670 -8.366 -6.612 1.00 52.15 H new ATOM 0 HA THR A 62 2.365 -11.013 -6.403 1.00 3.43 H new ATOM 0 HB THR A 62 4.292 -10.299 -8.554 1.00 23.13 H new ATOM 0 HG1 THR A 62 2.389 -10.180 -9.986 1.00 43.45 H new ATOM 0 HG21 THR A 62 3.355 -12.244 -9.776 1.00 42.41 H new ATOM 0 HG22 THR A 62 4.082 -12.679 -8.211 1.00 42.41 H new ATOM 0 HG23 THR A 62 2.312 -12.588 -8.376 1.00 42.41 H new ATOM 872 N THR A 63 4.483 -11.924 -5.374 1.00 32.42 N ATOM 873 CA THR A 63 5.544 -12.423 -4.500 1.00 41.35 C ATOM 874 C THR A 63 6.739 -12.948 -5.300 1.00 70.54 C ATOM 875 O THR A 63 6.687 -13.070 -6.529 1.00 50.43 O ATOM 876 CB THR A 63 4.958 -13.478 -3.533 1.00 24.21 C ATOM 877 OG1 THR A 63 4.616 -14.651 -4.248 1.00 30.30 O ATOM 878 CG2 THR A 63 3.716 -12.959 -2.806 1.00 31.53 C ATOM 0 H THR A 63 3.716 -12.591 -5.460 1.00 32.42 H new ATOM 0 HA THR A 63 5.934 -11.599 -3.903 1.00 41.35 H new ATOM 0 HB THR A 63 5.724 -13.697 -2.789 1.00 24.21 H new ATOM 0 HG1 THR A 63 4.051 -15.223 -3.687 1.00 30.30 H new ATOM 0 HG21 THR A 63 3.337 -13.731 -2.137 1.00 31.53 H new ATOM 0 HG22 THR A 63 3.977 -12.073 -2.227 1.00 31.53 H new ATOM 0 HG23 THR A 63 2.948 -12.702 -3.536 1.00 31.53 H new ATOM 886 N GLN A 64 7.831 -13.271 -4.602 1.00 22.23 N ATOM 887 CA GLN A 64 8.974 -13.990 -5.148 1.00 3.32 C ATOM 888 C GLN A 64 8.514 -15.314 -5.763 1.00 3.00 C ATOM 889 O GLN A 64 8.886 -15.628 -6.894 1.00 63.15 O ATOM 890 CB GLN A 64 10.022 -14.210 -4.061 1.00 5.13 C ATOM 891 CG GLN A 64 11.320 -14.785 -4.652 1.00 33.24 C ATOM 892 CD GLN A 64 12.482 -14.389 -3.761 1.00 73.12 C ATOM 893 OE1 GLN A 64 13.264 -13.498 -4.088 1.00 44.24 O ATOM 894 NE2 GLN A 64 12.544 -14.937 -2.569 1.00 62.13 N ATOM 0 H GLN A 64 7.943 -13.031 -3.617 1.00 22.23 H new ATOM 0 HA GLN A 64 9.433 -13.396 -5.938 1.00 3.32 H new ATOM 0 HB2 GLN A 64 10.234 -13.266 -3.560 1.00 5.13 H new ATOM 0 HB3 GLN A 64 9.630 -14.891 -3.306 1.00 5.13 H new ATOM 0 HG2 GLN A 64 11.253 -15.871 -4.724 1.00 33.24 H new ATOM 0 HG3 GLN A 64 11.474 -14.407 -5.663 1.00 33.24 H new ATOM 0 HE21 GLN A 64 11.888 -15.675 -2.312 1.00 62.13 H new ATOM 0 HE22 GLN A 64 13.248 -14.624 -1.900 1.00 62.13 H new ATOM 901 N SER A 65 7.647 -16.031 -5.042 1.00 21.31 N ATOM 902 CA SER A 65 6.991 -17.260 -5.479 1.00 14.22 C ATOM 903 C SER A 65 6.146 -17.065 -6.738 1.00 14.23 C ATOM 904 O SER A 65 5.806 -18.044 -7.400 1.00 14.41 O ATOM 905 CB SER A 65 6.089 -17.761 -4.347 1.00 45.42 C ATOM 906 OG SER A 65 6.821 -18.585 -3.469 1.00 53.15 O ATOM 0 H SER A 65 7.374 -15.756 -4.098 1.00 21.31 H new ATOM 0 HA SER A 65 7.770 -17.983 -5.721 1.00 14.22 H new ATOM 0 HB2 SER A 65 5.674 -16.914 -3.801 1.00 45.42 H new ATOM 0 HB3 SER A 65 5.247 -18.316 -4.762 1.00 45.42 H new ATOM 0 HG SER A 65 6.235 -18.898 -2.749 1.00 53.15 H new ATOM 911 N GLY A 66 5.817 -15.824 -7.105 1.00 1.32 N ATOM 912 CA GLY A 66 4.965 -15.551 -8.239 1.00 41.25 C ATOM 913 C GLY A 66 3.501 -15.782 -7.903 1.00 73.41 C ATOM 914 O GLY A 66 2.732 -16.079 -8.815 1.00 32.40 O ATOM 0 H GLY A 66 6.139 -14.988 -6.617 1.00 1.32 H new ATOM 0 HA2 GLY A 66 5.107 -14.520 -8.562 1.00 41.25 H new ATOM 0 HA3 GLY A 66 5.253 -16.190 -9.074 1.00 41.25 H new ATOM 918 N GLU A 67 3.100 -15.658 -6.636 1.00 24.20 N ATOM 919 CA GLU A 67 1.693 -15.506 -6.289 1.00 64.34 C ATOM 920 C GLU A 67 1.320 -14.054 -6.389 1.00 61.24 C ATOM 921 O GLU A 67 2.174 -13.195 -6.203 1.00 10.42 O ATOM 922 CB GLU A 67 1.411 -15.826 -4.827 1.00 30.42 C ATOM 923 CG GLU A 67 1.772 -17.211 -4.357 1.00 21.13 C ATOM 924 CD GLU A 67 2.336 -17.120 -2.940 1.00 51.13 C ATOM 925 OE1 GLU A 67 3.466 -16.581 -2.807 1.00 21.33 O ATOM 926 OE2 GLU A 67 1.616 -17.479 -1.978 1.00 12.11 O ATOM 0 H GLU A 67 3.733 -15.660 -5.836 1.00 24.20 H new ATOM 0 HA GLU A 67 1.149 -16.172 -6.959 1.00 64.34 H new ATOM 0 HB2 GLU A 67 1.950 -15.106 -4.211 1.00 30.42 H new ATOM 0 HB3 GLU A 67 0.348 -15.670 -4.643 1.00 30.42 H new ATOM 0 HG2 GLU A 67 0.893 -17.856 -4.372 1.00 21.13 H new ATOM 0 HG3 GLU A 67 2.506 -17.657 -5.027 1.00 21.13 H new ATOM 931 N LYS A 68 0.037 -13.784 -6.578 1.00 62.32 N ATOM 932 CA LYS A 68 -0.484 -12.446 -6.725 1.00 45.24 C ATOM 933 C LYS A 68 -1.533 -12.158 -5.672 1.00 30.45 C ATOM 934 O LYS A 68 -2.459 -12.948 -5.480 1.00 62.44 O ATOM 935 CB LYS A 68 -1.033 -12.343 -8.135 1.00 30.51 C ATOM 936 CG LYS A 68 -1.402 -10.905 -8.442 1.00 23.30 C ATOM 937 CD LYS A 68 -1.416 -10.713 -9.949 1.00 10.23 C ATOM 938 CE LYS A 68 -1.358 -9.209 -10.224 1.00 5.31 C ATOM 939 NZ LYS A 68 -1.013 -8.892 -11.623 1.00 33.43 N ATOM 0 H LYS A 68 -0.680 -14.508 -6.634 1.00 62.32 H new ATOM 0 HA LYS A 68 0.293 -11.697 -6.577 1.00 45.24 H new ATOM 0 HB2 LYS A 68 -0.291 -12.698 -8.850 1.00 30.51 H new ATOM 0 HB3 LYS A 68 -1.909 -12.983 -8.241 1.00 30.51 H new ATOM 0 HG2 LYS A 68 -2.380 -10.669 -8.023 1.00 23.30 H new ATOM 0 HG3 LYS A 68 -0.685 -10.225 -7.982 1.00 23.30 H new ATOM 0 HD2 LYS A 68 -0.566 -11.219 -10.407 1.00 10.23 H new ATOM 0 HD3 LYS A 68 -2.317 -11.147 -10.382 1.00 10.23 H new ATOM 0 HE2 LYS A 68 -2.323 -8.764 -9.984 1.00 5.31 H new ATOM 0 HE3 LYS A 68 -0.623 -8.752 -9.562 1.00 5.31 H new ATOM 0 HZ1 LYS A 68 -0.989 -7.860 -11.749 1.00 33.43 H new ATOM 0 HZ2 LYS A 68 -0.079 -9.291 -11.849 1.00 33.43 H new ATOM 0 HZ3 LYS A 68 -1.727 -9.302 -12.258 1.00 33.43 H new ATOM 949 N PHE A 69 -1.414 -10.991 -5.056 1.00 52.40 N ATOM 950 CA PHE A 69 -2.217 -10.531 -3.940 1.00 42.23 C ATOM 951 C PHE A 69 -2.818 -9.171 -4.281 1.00 22.41 C ATOM 952 O PHE A 69 -2.350 -8.488 -5.203 1.00 11.34 O ATOM 953 CB PHE A 69 -1.328 -10.436 -2.697 1.00 73.31 C ATOM 954 CG PHE A 69 -0.102 -9.554 -2.858 1.00 72.35 C ATOM 955 CD1 PHE A 69 -0.218 -8.171 -2.641 1.00 44.24 C ATOM 956 CD2 PHE A 69 1.145 -10.102 -3.224 1.00 21.22 C ATOM 957 CE1 PHE A 69 0.911 -7.347 -2.742 1.00 64.55 C ATOM 958 CE2 PHE A 69 2.285 -9.276 -3.295 1.00 53.01 C ATOM 959 CZ PHE A 69 2.167 -7.905 -3.022 1.00 52.21 C ATOM 0 H PHE A 69 -0.715 -10.304 -5.340 1.00 52.40 H new ATOM 0 HA PHE A 69 -3.030 -11.229 -3.741 1.00 42.23 H new ATOM 0 HB2 PHE A 69 -1.925 -10.056 -1.868 1.00 73.31 H new ATOM 0 HB3 PHE A 69 -1.003 -11.439 -2.422 1.00 73.31 H new ATOM 0 HD1 PHE A 69 -1.178 -7.742 -2.396 1.00 44.24 H new ATOM 0 HD2 PHE A 69 1.226 -11.155 -3.450 1.00 21.22 H new ATOM 0 HE1 PHE A 69 0.814 -6.280 -2.604 1.00 64.55 H new ATOM 0 HE2 PHE A 69 3.244 -9.696 -3.558 1.00 53.01 H new ATOM 0 HZ PHE A 69 3.046 -7.277 -3.027 1.00 52.21 H new ATOM 968 N THR A 70 -3.812 -8.743 -3.507 1.00 53.04 N ATOM 969 CA THR A 70 -4.472 -7.455 -3.657 1.00 71.32 C ATOM 970 C THR A 70 -4.841 -6.847 -2.299 1.00 52.34 C ATOM 971 O THR A 70 -4.903 -7.534 -1.273 1.00 1.42 O ATOM 972 CB THR A 70 -5.726 -7.595 -4.538 1.00 23.42 C ATOM 973 OG1 THR A 70 -6.634 -8.511 -3.956 1.00 70.41 O ATOM 974 CG2 THR A 70 -5.434 -8.065 -5.964 1.00 63.32 C ATOM 0 H THR A 70 -4.188 -9.299 -2.739 1.00 53.04 H new ATOM 0 HA THR A 70 -3.769 -6.778 -4.143 1.00 71.32 H new ATOM 0 HB THR A 70 -6.149 -6.592 -4.598 1.00 23.42 H new ATOM 0 HG1 THR A 70 -7.428 -8.590 -4.525 1.00 70.41 H new ATOM 0 HG21 THR A 70 -6.368 -8.139 -6.521 1.00 63.32 H new ATOM 0 HG22 THR A 70 -4.774 -7.350 -6.455 1.00 63.32 H new ATOM 0 HG23 THR A 70 -4.952 -9.042 -5.933 1.00 63.32 H new ATOM 982 N GLY A 71 -5.126 -5.544 -2.305 1.00 45.42 N ATOM 983 CA GLY A 71 -5.616 -4.788 -1.169 1.00 63.30 C ATOM 984 C GLY A 71 -6.499 -3.674 -1.701 1.00 25.21 C ATOM 985 O GLY A 71 -5.979 -2.644 -2.115 1.00 54.22 O ATOM 0 H GLY A 71 -5.014 -4.970 -3.140 1.00 45.42 H new ATOM 0 HA2 GLY A 71 -6.179 -5.433 -0.495 1.00 63.30 H new ATOM 0 HA3 GLY A 71 -4.785 -4.377 -0.596 1.00 63.30 H new ATOM 989 N HIS A 72 -7.809 -3.888 -1.782 1.00 24.55 N ATOM 990 CA HIS A 72 -8.734 -2.920 -2.369 1.00 44.23 C ATOM 991 C HIS A 72 -9.568 -2.318 -1.243 1.00 23.35 C ATOM 992 O HIS A 72 -10.414 -3.011 -0.669 1.00 44.33 O ATOM 993 CB HIS A 72 -9.610 -3.581 -3.437 1.00 50.21 C ATOM 994 CG HIS A 72 -8.877 -4.415 -4.454 1.00 31.32 C ATOM 995 ND1 HIS A 72 -7.910 -3.996 -5.339 1.00 24.44 N ATOM 996 CD2 HIS A 72 -9.184 -5.708 -4.769 1.00 21.21 C ATOM 997 CE1 HIS A 72 -7.652 -5.003 -6.176 1.00 23.45 C ATOM 998 NE2 HIS A 72 -8.428 -6.068 -5.893 1.00 25.23 N ATOM 0 H HIS A 72 -8.261 -4.737 -1.443 1.00 24.55 H new ATOM 0 HA HIS A 72 -8.182 -2.126 -2.872 1.00 44.23 H new ATOM 0 HB2 HIS A 72 -10.346 -4.212 -2.938 1.00 50.21 H new ATOM 0 HB3 HIS A 72 -10.162 -2.802 -3.962 1.00 50.21 H new ATOM 0 HD1 HIS A 72 -7.468 -3.077 -5.353 1.00 24.44 H new ATOM 0 HD2 HIS A 72 -9.885 -6.341 -4.245 1.00 21.21 H new ATOM 0 HE1 HIS A 72 -6.922 -4.969 -6.971 1.00 23.45 H new ATOM 1005 N PHE A 73 -9.302 -1.063 -0.895 1.00 30.13 N ATOM 1006 CA PHE A 73 -9.699 -0.402 0.341 1.00 65.51 C ATOM 1007 C PHE A 73 -10.432 0.903 0.063 1.00 43.30 C ATOM 1008 O PHE A 73 -10.239 1.531 -0.984 1.00 22.51 O ATOM 1009 CB PHE A 73 -8.437 -0.058 1.132 1.00 44.12 C ATOM 1010 CG PHE A 73 -7.565 -1.252 1.474 1.00 72.30 C ATOM 1011 CD1 PHE A 73 -8.048 -2.249 2.345 1.00 22.25 C ATOM 1012 CD2 PHE A 73 -6.263 -1.356 0.950 1.00 1.21 C ATOM 1013 CE1 PHE A 73 -7.232 -3.338 2.696 1.00 21.24 C ATOM 1014 CE2 PHE A 73 -5.445 -2.439 1.310 1.00 34.22 C ATOM 1015 CZ PHE A 73 -5.934 -3.433 2.177 1.00 5.24 C ATOM 0 H PHE A 73 -8.771 -0.443 -1.507 1.00 30.13 H new ATOM 0 HA PHE A 73 -10.358 -1.074 0.890 1.00 65.51 H new ATOM 0 HB2 PHE A 73 -7.846 0.655 0.557 1.00 44.12 H new ATOM 0 HB3 PHE A 73 -8.727 0.441 2.057 1.00 44.12 H new ATOM 0 HD1 PHE A 73 -9.049 -2.176 2.744 1.00 22.25 H new ATOM 0 HD2 PHE A 73 -5.893 -0.602 0.271 1.00 1.21 H new ATOM 0 HE1 PHE A 73 -7.605 -4.100 3.364 1.00 21.24 H new ATOM 0 HE2 PHE A 73 -4.440 -2.509 0.921 1.00 34.22 H new ATOM 0 HZ PHE A 73 -5.307 -4.271 2.443 1.00 5.24 H new ATOM 1024 N LYS A 74 -11.211 1.352 1.048 1.00 70.32 N ATOM 1025 CA LYS A 74 -12.096 2.503 0.944 1.00 1.42 C ATOM 1026 C LYS A 74 -12.084 3.283 2.249 1.00 11.41 C ATOM 1027 O LYS A 74 -11.736 2.728 3.292 1.00 33.34 O ATOM 1028 CB LYS A 74 -13.515 2.006 0.675 1.00 64.43 C ATOM 1029 CG LYS A 74 -13.657 1.272 -0.662 1.00 32.14 C ATOM 1030 CD LYS A 74 -15.115 0.853 -0.803 1.00 62.21 C ATOM 1031 CE LYS A 74 -15.288 -0.094 -1.984 1.00 74.51 C ATOM 1032 NZ LYS A 74 -16.707 -0.460 -2.129 1.00 13.45 N ATOM 0 H LYS A 74 -11.241 0.908 1.966 1.00 70.32 H new ATOM 0 HA LYS A 74 -11.760 3.151 0.134 1.00 1.42 H new ATOM 0 HB2 LYS A 74 -13.818 1.339 1.482 1.00 64.43 H new ATOM 0 HB3 LYS A 74 -14.199 2.855 0.690 1.00 64.43 H new ATOM 0 HG2 LYS A 74 -13.363 1.920 -1.488 1.00 32.14 H new ATOM 0 HG3 LYS A 74 -13.003 0.400 -0.692 1.00 32.14 H new ATOM 0 HD2 LYS A 74 -15.449 0.366 0.113 1.00 62.21 H new ATOM 0 HD3 LYS A 74 -15.741 1.735 -0.942 1.00 62.21 H new ATOM 0 HE2 LYS A 74 -14.931 0.381 -2.898 1.00 74.51 H new ATOM 0 HE3 LYS A 74 -14.686 -0.990 -1.834 1.00 74.51 H new ATOM 0 HZ1 LYS A 74 -16.818 -1.106 -2.936 1.00 13.45 H new ATOM 0 HZ2 LYS A 74 -17.035 -0.931 -1.261 1.00 13.45 H new ATOM 0 HZ3 LYS A 74 -17.272 0.398 -2.292 1.00 13.45 H new ATOM 1042 N GLY A 75 -12.482 4.547 2.181 1.00 34.35 N ATOM 1043 CA GLY A 75 -12.471 5.515 3.266 1.00 34.33 C ATOM 1044 C GLY A 75 -11.183 5.476 4.062 1.00 13.23 C ATOM 1045 O GLY A 75 -11.163 5.179 5.251 1.00 44.04 O ATOM 0 H GLY A 75 -12.842 4.946 1.314 1.00 34.35 H new ATOM 0 HA2 GLY A 75 -12.612 6.516 2.858 1.00 34.33 H new ATOM 0 HA3 GLY A 75 -13.312 5.320 3.931 1.00 34.33 H new ATOM 1049 N LEU A 76 -10.088 5.766 3.366 1.00 32.42 N ATOM 1050 CA LEU A 76 -8.760 5.882 3.950 1.00 34.32 C ATOM 1051 C LEU A 76 -8.646 7.245 4.642 1.00 3.24 C ATOM 1052 O LEU A 76 -9.410 8.166 4.332 1.00 24.45 O ATOM 1053 CB LEU A 76 -7.720 5.803 2.834 1.00 4.03 C ATOM 1054 CG LEU A 76 -7.475 4.446 2.153 1.00 10.22 C ATOM 1055 CD1 LEU A 76 -6.475 3.588 2.934 1.00 44.21 C ATOM 1056 CD2 LEU A 76 -8.687 3.579 1.826 1.00 31.11 C ATOM 0 H LEU A 76 -10.102 5.930 2.359 1.00 32.42 H new ATOM 0 HA LEU A 76 -8.594 5.080 4.670 1.00 34.32 H new ATOM 0 HB2 LEU A 76 -8.009 6.514 2.061 1.00 4.03 H new ATOM 0 HB3 LEU A 76 -6.769 6.145 3.242 1.00 4.03 H new ATOM 0 HG LEU A 76 -7.082 4.767 1.188 1.00 10.22 H new ATOM 0 HD11 LEU A 76 -6.330 2.638 2.419 1.00 44.21 H new ATOM 0 HD12 LEU A 76 -5.522 4.112 3.003 1.00 44.21 H new ATOM 0 HD13 LEU A 76 -6.860 3.402 3.937 1.00 44.21 H new ATOM 0 HD21 LEU A 76 -8.356 2.656 1.350 1.00 31.11 H new ATOM 0 HD22 LEU A 76 -9.223 3.341 2.745 1.00 31.11 H new ATOM 0 HD23 LEU A 76 -9.349 4.119 1.149 1.00 31.11 H new ATOM 1067 N VAL A 77 -7.648 7.400 5.515 1.00 24.42 N ATOM 1068 CA VAL A 77 -7.313 8.691 6.106 1.00 23.12 C ATOM 1069 C VAL A 77 -6.770 9.633 5.018 1.00 41.22 C ATOM 1070 O VAL A 77 -6.398 9.178 3.934 1.00 70.33 O ATOM 1071 CB VAL A 77 -6.376 8.513 7.325 1.00 3.14 C ATOM 1072 CG1 VAL A 77 -6.913 7.471 8.319 1.00 53.20 C ATOM 1073 CG2 VAL A 77 -4.945 8.114 6.953 1.00 1.14 C ATOM 0 H VAL A 77 -7.052 6.634 5.829 1.00 24.42 H new ATOM 0 HA VAL A 77 -8.209 9.167 6.505 1.00 23.12 H new ATOM 0 HB VAL A 77 -6.352 9.501 7.785 1.00 3.14 H new ATOM 0 HG11 VAL A 77 -6.223 7.379 9.158 1.00 53.20 H new ATOM 0 HG12 VAL A 77 -7.890 7.787 8.685 1.00 53.20 H new ATOM 0 HG13 VAL A 77 -7.007 6.507 7.820 1.00 53.20 H new ATOM 0 HG21 VAL A 77 -4.349 8.008 7.860 1.00 1.14 H new ATOM 0 HG22 VAL A 77 -4.960 7.166 6.416 1.00 1.14 H new ATOM 0 HG23 VAL A 77 -4.506 8.884 6.318 1.00 1.14 H new ATOM 1083 N GLY A 78 -6.702 10.936 5.302 1.00 41.03 N ATOM 1084 CA GLY A 78 -6.526 11.972 4.288 1.00 64.10 C ATOM 1085 C GLY A 78 -5.182 11.959 3.570 1.00 45.15 C ATOM 1086 O GLY A 78 -5.038 11.464 2.450 1.00 31.24 O ATOM 0 H GLY A 78 -6.768 11.302 6.252 1.00 41.03 H new ATOM 0 HA2 GLY A 78 -7.317 11.868 3.545 1.00 64.10 H new ATOM 0 HA3 GLY A 78 -6.658 12.946 4.760 1.00 64.10 H new ATOM 1090 N LYS A 79 -4.202 12.607 4.192 1.00 61.24 N ATOM 1091 CA LYS A 79 -2.992 13.085 3.510 1.00 22.44 C ATOM 1092 C LYS A 79 -1.748 12.237 3.794 1.00 71.54 C ATOM 1093 O LYS A 79 -0.630 12.626 3.446 1.00 41.12 O ATOM 1094 CB LYS A 79 -2.801 14.598 3.700 1.00 13.14 C ATOM 1095 CG LYS A 79 -3.993 15.322 3.045 1.00 5.12 C ATOM 1096 CD LYS A 79 -3.804 16.814 2.784 1.00 52.02 C ATOM 1097 CE LYS A 79 -2.626 17.113 1.856 1.00 3.03 C ATOM 1098 NZ LYS A 79 -1.553 17.850 2.551 1.00 73.21 N ATOM 0 H LYS A 79 -4.220 12.819 5.190 1.00 61.24 H new ATOM 0 HA LYS A 79 -3.148 12.939 2.441 1.00 22.44 H new ATOM 0 HB2 LYS A 79 -2.744 14.843 4.761 1.00 13.14 H new ATOM 0 HB3 LYS A 79 -1.864 14.922 3.247 1.00 13.14 H new ATOM 0 HG2 LYS A 79 -4.215 14.832 2.097 1.00 5.12 H new ATOM 0 HG3 LYS A 79 -4.867 15.192 3.683 1.00 5.12 H new ATOM 0 HD2 LYS A 79 -4.716 17.219 2.346 1.00 52.02 H new ATOM 0 HD3 LYS A 79 -3.651 17.327 3.734 1.00 52.02 H new ATOM 0 HE2 LYS A 79 -2.228 16.178 1.461 1.00 3.03 H new ATOM 0 HE3 LYS A 79 -2.974 17.696 1.003 1.00 3.03 H new ATOM 0 HZ1 LYS A 79 -0.836 18.152 1.861 1.00 73.21 H new ATOM 0 HZ2 LYS A 79 -1.955 18.686 3.021 1.00 73.21 H new ATOM 0 HZ3 LYS A 79 -1.111 17.232 3.261 1.00 73.21 H new ATOM 1108 N ASP A 80 -1.945 11.060 4.381 1.00 2.22 N ATOM 1109 CA ASP A 80 -0.938 10.035 4.628 1.00 61.55 C ATOM 1110 C ASP A 80 -1.573 8.657 4.451 1.00 62.11 C ATOM 1111 O ASP A 80 -2.776 8.502 4.669 1.00 51.32 O ATOM 1112 CB ASP A 80 -0.368 10.148 6.045 1.00 54.15 C ATOM 1113 CG ASP A 80 -1.409 10.007 7.163 1.00 65.25 C ATOM 1114 OD1 ASP A 80 -2.187 10.960 7.419 1.00 4.43 O ATOM 1115 OD2 ASP A 80 -1.371 8.988 7.882 1.00 71.33 O ATOM 0 H ASP A 80 -2.867 10.781 4.716 1.00 2.22 H new ATOM 0 HA ASP A 80 -0.123 10.174 3.918 1.00 61.55 H new ATOM 0 HB2 ASP A 80 0.395 9.381 6.178 1.00 54.15 H new ATOM 0 HB3 ASP A 80 0.128 11.113 6.147 1.00 54.15 H new ATOM 1119 N THR A 81 -0.791 7.651 4.055 1.00 14.21 N ATOM 1120 CA THR A 81 -1.222 6.251 4.004 1.00 14.02 C ATOM 1121 C THR A 81 -0.064 5.327 4.381 1.00 32.30 C ATOM 1122 O THR A 81 1.092 5.603 4.060 1.00 32.53 O ATOM 1123 CB THR A 81 -1.721 5.878 2.591 1.00 52.24 C ATOM 1124 OG1 THR A 81 -2.171 6.974 1.817 1.00 74.13 O ATOM 1125 CG2 THR A 81 -2.879 4.896 2.709 1.00 30.50 C ATOM 0 H THR A 81 0.175 7.787 3.756 1.00 14.21 H new ATOM 0 HA THR A 81 -2.039 6.129 4.715 1.00 14.02 H new ATOM 0 HB THR A 81 -0.856 5.453 2.081 1.00 52.24 H new ATOM 0 HG1 THR A 81 -2.467 6.655 0.939 1.00 74.13 H new ATOM 0 HG21 THR A 81 -3.234 4.631 1.713 1.00 30.50 H new ATOM 0 HG22 THR A 81 -2.543 3.997 3.226 1.00 30.50 H new ATOM 0 HG23 THR A 81 -3.691 5.356 3.272 1.00 30.50 H new ATOM 1133 N ARG A 82 -0.371 4.163 4.960 1.00 62.42 N ATOM 1134 CA ARG A 82 0.531 3.012 4.945 1.00 41.35 C ATOM 1135 C ARG A 82 -0.241 1.806 4.456 1.00 62.23 C ATOM 1136 O ARG A 82 -1.465 1.860 4.363 1.00 73.31 O ATOM 1137 CB ARG A 82 1.146 2.749 6.327 1.00 31.22 C ATOM 1138 CG ARG A 82 1.920 3.949 6.878 1.00 1.23 C ATOM 1139 CD ARG A 82 2.829 3.570 8.051 1.00 25.21 C ATOM 1140 NE ARG A 82 3.083 4.757 8.882 1.00 43.34 N ATOM 1141 CZ ARG A 82 2.551 4.974 10.089 1.00 73.33 C ATOM 1142 NH1 ARG A 82 2.118 3.965 10.837 1.00 30.24 N ATOM 1143 NH2 ARG A 82 2.450 6.218 10.533 1.00 13.22 N ATOM 0 H ARG A 82 -1.249 3.994 5.450 1.00 62.42 H new ATOM 0 HA ARG A 82 1.363 3.220 4.272 1.00 41.35 H new ATOM 0 HB2 ARG A 82 0.353 2.483 7.026 1.00 31.22 H new ATOM 0 HB3 ARG A 82 1.815 1.891 6.263 1.00 31.22 H new ATOM 0 HG2 ARG A 82 2.523 4.386 6.082 1.00 1.23 H new ATOM 0 HG3 ARG A 82 1.215 4.715 7.201 1.00 1.23 H new ATOM 0 HD2 ARG A 82 2.361 2.788 8.649 1.00 25.21 H new ATOM 0 HD3 ARG A 82 3.770 3.166 7.679 1.00 25.21 H new ATOM 0 HE ARG A 82 3.712 5.468 8.509 1.00 43.34 H new ATOM 0 HH11 ARG A 82 2.189 3.008 10.492 1.00 30.24 H new ATOM 0 HH12 ARG A 82 1.715 4.148 11.756 1.00 30.24 H new ATOM 0 HH21 ARG A 82 2.776 6.993 9.956 1.00 13.22 H new ATOM 0 HH22 ARG A 82 2.046 6.400 11.452 1.00 13.22 H new ATOM 1154 N VAL A 83 0.477 0.731 4.153 1.00 62.12 N ATOM 1155 CA VAL A 83 -0.047 -0.514 3.627 1.00 73.21 C ATOM 1156 C VAL A 83 0.771 -1.620 4.276 1.00 34.25 C ATOM 1157 O VAL A 83 1.989 -1.683 4.079 1.00 30.43 O ATOM 1158 CB VAL A 83 0.111 -0.525 2.103 1.00 51.33 C ATOM 1159 CG1 VAL A 83 -0.437 -1.822 1.494 1.00 45.22 C ATOM 1160 CG2 VAL A 83 -0.558 0.662 1.407 1.00 31.11 C ATOM 0 H VAL A 83 1.489 0.708 4.275 1.00 62.12 H new ATOM 0 HA VAL A 83 -1.107 -0.646 3.844 1.00 73.21 H new ATOM 0 HB VAL A 83 1.185 -0.450 1.932 1.00 51.33 H new ATOM 0 HG11 VAL A 83 -0.310 -1.798 0.412 1.00 45.22 H new ATOM 0 HG12 VAL A 83 0.105 -2.674 1.904 1.00 45.22 H new ATOM 0 HG13 VAL A 83 -1.496 -1.917 1.733 1.00 45.22 H new ATOM 0 HG21 VAL A 83 -0.404 0.586 0.331 1.00 31.11 H new ATOM 0 HG22 VAL A 83 -1.627 0.655 1.622 1.00 31.11 H new ATOM 0 HG23 VAL A 83 -0.121 1.591 1.772 1.00 31.11 H new ATOM 1170 N PHE A 84 0.118 -2.458 5.074 1.00 23.35 N ATOM 1171 CA PHE A 84 0.747 -3.599 5.710 1.00 4.42 C ATOM 1172 C PHE A 84 0.554 -4.793 4.784 1.00 13.14 C ATOM 1173 O PHE A 84 -0.527 -5.363 4.671 1.00 30.33 O ATOM 1174 CB PHE A 84 0.166 -3.810 7.114 1.00 43.34 C ATOM 1175 CG PHE A 84 0.376 -2.683 8.113 1.00 63.41 C ATOM 1176 CD1 PHE A 84 1.412 -1.741 7.959 1.00 33.24 C ATOM 1177 CD2 PHE A 84 -0.463 -2.592 9.237 1.00 33.34 C ATOM 1178 CE1 PHE A 84 1.585 -0.703 8.891 1.00 1.51 C ATOM 1179 CE2 PHE A 84 -0.253 -1.595 10.199 1.00 72.12 C ATOM 1180 CZ PHE A 84 0.766 -0.646 10.028 1.00 52.33 C ATOM 0 H PHE A 84 -0.872 -2.359 5.297 1.00 23.35 H new ATOM 0 HA PHE A 84 1.816 -3.446 5.859 1.00 4.42 H new ATOM 0 HB2 PHE A 84 -0.906 -3.984 7.017 1.00 43.34 H new ATOM 0 HB3 PHE A 84 0.600 -4.719 7.530 1.00 43.34 H new ATOM 0 HD1 PHE A 84 2.081 -1.817 7.115 1.00 33.24 H new ATOM 0 HD2 PHE A 84 -1.274 -3.294 9.360 1.00 33.34 H new ATOM 0 HE1 PHE A 84 2.345 0.047 8.732 1.00 1.51 H new ATOM 0 HE2 PHE A 84 -0.880 -1.557 11.078 1.00 72.12 H new ATOM 0 HZ PHE A 84 0.919 0.125 10.769 1.00 52.33 H new ATOM 1189 N ILE A 85 1.611 -5.126 4.060 1.00 65.11 N ATOM 1190 CA ILE A 85 1.808 -6.448 3.498 1.00 14.33 C ATOM 1191 C ILE A 85 2.138 -7.307 4.711 1.00 62.31 C ATOM 1192 O ILE A 85 3.109 -7.018 5.407 1.00 1.35 O ATOM 1193 CB ILE A 85 2.976 -6.428 2.498 1.00 54.42 C ATOM 1194 CG1 ILE A 85 2.843 -5.295 1.463 1.00 51.24 C ATOM 1195 CG2 ILE A 85 2.990 -7.769 1.790 1.00 71.11 C ATOM 1196 CD1 ILE A 85 3.990 -5.250 0.440 1.00 41.14 C ATOM 0 H ILE A 85 2.366 -4.474 3.845 1.00 65.11 H new ATOM 0 HA ILE A 85 0.943 -6.819 2.948 1.00 14.33 H new ATOM 0 HB ILE A 85 3.904 -6.249 3.040 1.00 54.42 H new ATOM 0 HG12 ILE A 85 1.899 -5.411 0.931 1.00 51.24 H new ATOM 0 HG13 ILE A 85 2.799 -4.340 1.987 1.00 51.24 H new ATOM 0 HG21 ILE A 85 3.808 -7.792 1.070 1.00 71.11 H new ATOM 0 HG22 ILE A 85 3.128 -8.565 2.522 1.00 71.11 H new ATOM 0 HG23 ILE A 85 2.044 -7.915 1.269 1.00 71.11 H new ATOM 0 HD11 ILE A 85 3.826 -4.426 -0.255 1.00 41.14 H new ATOM 0 HD12 ILE A 85 4.936 -5.102 0.961 1.00 41.14 H new ATOM 0 HD13 ILE A 85 4.022 -6.189 -0.112 1.00 41.14 H new ATOM 1207 N GLU A 86 1.308 -8.303 4.974 1.00 30.51 N ATOM 1208 CA GLU A 86 1.461 -9.302 6.024 1.00 21.34 C ATOM 1209 C GLU A 86 0.674 -10.546 5.607 1.00 71.42 C ATOM 1210 O GLU A 86 0.083 -10.559 4.520 1.00 31.25 O ATOM 1211 CB GLU A 86 1.028 -8.727 7.388 1.00 10.53 C ATOM 1212 CG GLU A 86 -0.360 -8.080 7.477 1.00 74.23 C ATOM 1213 CD GLU A 86 -0.648 -7.636 8.923 1.00 5.35 C ATOM 1214 OE1 GLU A 86 -0.797 -8.482 9.835 1.00 31.35 O ATOM 1215 OE2 GLU A 86 -0.583 -6.413 9.208 1.00 2.34 O ATOM 0 H GLU A 86 0.458 -8.446 4.429 1.00 30.51 H new ATOM 0 HA GLU A 86 2.506 -9.587 6.150 1.00 21.34 H new ATOM 0 HB2 GLU A 86 1.071 -9.532 8.121 1.00 10.53 H new ATOM 0 HB3 GLU A 86 1.766 -7.983 7.688 1.00 10.53 H new ATOM 0 HG2 GLU A 86 -0.412 -7.221 6.808 1.00 74.23 H new ATOM 0 HG3 GLU A 86 -1.121 -8.788 7.148 1.00 74.23 H new ATOM 1220 N LEU A 87 0.700 -11.600 6.421 1.00 34.11 N ATOM 1221 CA LEU A 87 -0.073 -12.814 6.177 1.00 42.24 C ATOM 1222 C LEU A 87 -1.146 -12.929 7.244 1.00 21.11 C ATOM 1223 O LEU A 87 -1.039 -12.325 8.315 1.00 3.32 O ATOM 1224 CB LEU A 87 0.787 -14.087 6.228 1.00 12.33 C ATOM 1225 CG LEU A 87 2.137 -14.030 5.505 1.00 1.23 C ATOM 1226 CD1 LEU A 87 2.880 -15.336 5.764 1.00 65.04 C ATOM 1227 CD2 LEU A 87 1.994 -13.827 3.996 1.00 13.12 C ATOM 0 H LEU A 87 1.261 -11.635 7.272 1.00 34.11 H new ATOM 0 HA LEU A 87 -0.496 -12.734 5.176 1.00 42.24 H new ATOM 0 HB2 LEU A 87 0.970 -14.333 7.274 1.00 12.33 H new ATOM 0 HB3 LEU A 87 0.208 -14.907 5.804 1.00 12.33 H new ATOM 0 HG LEU A 87 2.686 -13.172 5.894 1.00 1.23 H new ATOM 0 HD11 LEU A 87 3.844 -15.313 5.256 1.00 65.04 H new ATOM 0 HD12 LEU A 87 3.037 -15.459 6.836 1.00 65.04 H new ATOM 0 HD13 LEU A 87 2.291 -16.171 5.386 1.00 65.04 H new ATOM 0 HD21 LEU A 87 2.983 -13.795 3.538 1.00 13.12 H new ATOM 0 HD22 LEU A 87 1.424 -14.653 3.570 1.00 13.12 H new ATOM 0 HD23 LEU A 87 1.474 -12.889 3.803 1.00 13.12 H new ATOM 1238 N ASP A 88 -2.138 -13.764 6.974 1.00 5.52 N ATOM 1239 CA ASP A 88 -3.141 -14.207 7.927 1.00 50.53 C ATOM 1240 C ASP A 88 -3.776 -15.482 7.368 1.00 61.40 C ATOM 1241 O ASP A 88 -3.229 -16.073 6.432 1.00 12.44 O ATOM 1242 CB ASP A 88 -4.177 -13.097 8.174 1.00 62.42 C ATOM 1243 CG ASP A 88 -4.641 -13.187 9.620 1.00 65.42 C ATOM 1244 OD1 ASP A 88 -5.586 -13.960 9.902 1.00 44.54 O ATOM 1245 OD2 ASP A 88 -4.026 -12.535 10.489 1.00 45.41 O ATOM 0 H ASP A 88 -2.270 -14.167 6.046 1.00 5.52 H new ATOM 0 HA ASP A 88 -2.693 -14.425 8.896 1.00 50.53 H new ATOM 0 HB2 ASP A 88 -3.739 -12.119 7.976 1.00 62.42 H new ATOM 0 HB3 ASP A 88 -5.023 -13.210 7.496 1.00 62.42 H new ATOM 1249 N GLU A 89 -4.936 -15.890 7.887 1.00 2.31 N ATOM 1250 CA GLU A 89 -5.844 -16.906 7.358 1.00 71.21 C ATOM 1251 C GLU A 89 -5.276 -18.319 7.416 1.00 11.22 C ATOM 1252 O GLU A 89 -5.776 -19.143 8.179 1.00 4.23 O ATOM 1253 CB GLU A 89 -6.308 -16.568 5.926 1.00 14.34 C ATOM 1254 CG GLU A 89 -7.162 -15.304 5.851 1.00 63.31 C ATOM 1255 CD GLU A 89 -8.494 -15.432 6.587 1.00 33.11 C ATOM 1256 OE1 GLU A 89 -8.942 -16.566 6.890 1.00 50.30 O ATOM 1257 OE2 GLU A 89 -9.124 -14.382 6.830 1.00 13.43 O ATOM 0 H GLU A 89 -5.291 -15.487 8.754 1.00 2.31 H new ATOM 0 HA GLU A 89 -6.711 -16.890 8.019 1.00 71.21 H new ATOM 0 HB2 GLU A 89 -5.433 -16.446 5.287 1.00 14.34 H new ATOM 0 HB3 GLU A 89 -6.878 -17.408 5.528 1.00 14.34 H new ATOM 0 HG2 GLU A 89 -6.601 -14.469 6.271 1.00 63.31 H new ATOM 0 HG3 GLU A 89 -7.354 -15.065 4.805 1.00 63.31 H new ATOM 1262 N ASN A 90 -4.267 -18.611 6.599 1.00 34.32 N ATOM 1263 CA ASN A 90 -3.603 -19.901 6.458 1.00 32.41 C ATOM 1264 C ASN A 90 -2.107 -19.668 6.212 1.00 13.54 C ATOM 1265 O ASN A 90 -1.471 -20.487 5.552 1.00 64.02 O ATOM 1266 CB ASN A 90 -4.234 -20.719 5.310 1.00 41.14 C ATOM 1267 CG ASN A 90 -5.738 -20.890 5.447 1.00 21.32 C ATOM 1268 OD1 ASN A 90 -6.224 -21.737 6.186 1.00 23.41 O ATOM 1269 ND2 ASN A 90 -6.520 -20.074 4.765 1.00 25.44 N ATOM 0 H ASN A 90 -3.867 -17.907 5.979 1.00 34.32 H new ATOM 0 HA ASN A 90 -3.729 -20.477 7.375 1.00 32.41 H new ATOM 0 HB2 ASN A 90 -4.016 -20.228 4.362 1.00 41.14 H new ATOM 0 HB3 ASN A 90 -3.766 -21.703 5.274 1.00 41.14 H new ATOM 0 HD21 ASN A 90 -7.534 -20.147 4.852 1.00 25.44 H new ATOM 0 HD22 ASN A 90 -6.111 -19.370 4.151 1.00 25.44 H new ATOM 1275 N ALA A 91 -1.540 -18.551 6.694 1.00 30.14 N ATOM 1276 CA ALA A 91 -0.307 -17.931 6.190 1.00 11.21 C ATOM 1277 C ALA A 91 -0.439 -17.560 4.701 1.00 5.15 C ATOM 1278 O ALA A 91 0.546 -17.561 3.957 1.00 41.53 O ATOM 1279 CB ALA A 91 0.932 -18.785 6.510 1.00 52.14 C ATOM 0 H ALA A 91 -1.945 -18.036 7.476 1.00 30.14 H new ATOM 0 HA ALA A 91 -0.154 -16.991 6.721 1.00 11.21 H new ATOM 0 HB1 ALA A 91 1.823 -18.293 6.121 1.00 52.14 H new ATOM 0 HB2 ALA A 91 1.024 -18.902 7.590 1.00 52.14 H new ATOM 0 HB3 ALA A 91 0.827 -19.766 6.046 1.00 52.14 H new ATOM 1285 N ASP A 92 -1.666 -17.243 4.277 1.00 71.24 N ATOM 1286 CA ASP A 92 -1.988 -16.807 2.923 1.00 2.31 C ATOM 1287 C ASP A 92 -1.475 -15.384 2.759 1.00 73.14 C ATOM 1288 O ASP A 92 -1.627 -14.561 3.672 1.00 42.03 O ATOM 1289 CB ASP A 92 -3.503 -16.727 2.683 1.00 22.23 C ATOM 1290 CG ASP A 92 -4.270 -18.043 2.611 1.00 32.43 C ATOM 1291 OD1 ASP A 92 -3.809 -19.008 1.966 1.00 62.24 O ATOM 1292 OD2 ASP A 92 -5.442 -18.058 3.062 1.00 51.41 O ATOM 0 H ASP A 92 -2.483 -17.285 4.887 1.00 71.24 H new ATOM 0 HA ASP A 92 -1.543 -17.523 2.232 1.00 2.31 H new ATOM 0 HB2 ASP A 92 -3.940 -16.125 3.480 1.00 22.23 H new ATOM 0 HB3 ASP A 92 -3.669 -16.188 1.750 1.00 22.23 H new ATOM 1296 N VAL A 93 -0.979 -15.049 1.568 1.00 22.23 N ATOM 1297 CA VAL A 93 -0.654 -13.670 1.244 1.00 50.13 C ATOM 1298 C VAL A 93 -1.953 -12.856 1.193 1.00 25.52 C ATOM 1299 O VAL A 93 -2.921 -13.274 0.553 1.00 4.23 O ATOM 1300 CB VAL A 93 0.080 -13.597 -0.103 1.00 43.22 C ATOM 1301 CG1 VAL A 93 0.659 -12.195 -0.314 1.00 50.40 C ATOM 1302 CG2 VAL A 93 1.253 -14.581 -0.236 1.00 51.03 C ATOM 0 H VAL A 93 -0.796 -15.715 0.817 1.00 22.23 H new ATOM 0 HA VAL A 93 0.005 -13.258 2.008 1.00 50.13 H new ATOM 0 HB VAL A 93 -0.675 -13.856 -0.846 1.00 43.22 H new ATOM 0 HG11 VAL A 93 1.177 -12.156 -1.272 1.00 50.40 H new ATOM 0 HG12 VAL A 93 -0.149 -11.463 -0.308 1.00 50.40 H new ATOM 0 HG13 VAL A 93 1.361 -11.967 0.488 1.00 50.40 H new ATOM 0 HG21 VAL A 93 1.716 -14.464 -1.216 1.00 51.03 H new ATOM 0 HG22 VAL A 93 1.990 -14.376 0.541 1.00 51.03 H new ATOM 0 HG23 VAL A 93 0.886 -15.602 -0.127 1.00 51.03 H new ATOM 1312 N GLN A 94 -1.962 -11.684 1.826 1.00 3.32 N ATOM 1313 CA GLN A 94 -3.053 -10.710 1.784 1.00 43.42 C ATOM 1314 C GLN A 94 -2.511 -9.294 2.011 1.00 52.40 C ATOM 1315 O GLN A 94 -1.294 -9.096 2.024 1.00 13.05 O ATOM 1316 CB GLN A 94 -4.154 -11.131 2.773 1.00 13.31 C ATOM 1317 CG GLN A 94 -3.714 -11.432 4.212 1.00 33.15 C ATOM 1318 CD GLN A 94 -4.643 -12.499 4.770 1.00 62.12 C ATOM 1319 OE1 GLN A 94 -5.741 -12.209 5.234 1.00 21.25 O ATOM 1320 NE2 GLN A 94 -4.254 -13.757 4.661 1.00 25.11 N ATOM 0 H GLN A 94 -1.181 -11.375 2.404 1.00 3.32 H new ATOM 0 HA GLN A 94 -3.515 -10.691 0.797 1.00 43.42 H new ATOM 0 HB2 GLN A 94 -4.902 -10.339 2.805 1.00 13.31 H new ATOM 0 HB3 GLN A 94 -4.646 -12.019 2.376 1.00 13.31 H new ATOM 0 HG2 GLN A 94 -2.681 -11.778 4.231 1.00 33.15 H new ATOM 0 HG3 GLN A 94 -3.759 -10.530 4.822 1.00 33.15 H new ATOM 0 HE21 GLN A 94 -3.337 -13.975 4.272 1.00 25.11 H new ATOM 0 HE22 GLN A 94 -4.871 -14.510 4.966 1.00 25.11 H new ATOM 1327 N VAL A 95 -3.377 -8.286 2.146 1.00 43.43 N ATOM 1328 CA VAL A 95 -2.968 -6.926 2.475 1.00 12.25 C ATOM 1329 C VAL A 95 -3.885 -6.415 3.583 1.00 63.50 C ATOM 1330 O VAL A 95 -5.089 -6.689 3.615 1.00 72.14 O ATOM 1331 CB VAL A 95 -2.970 -6.023 1.221 1.00 51.42 C ATOM 1332 CG1 VAL A 95 -2.467 -4.599 1.525 1.00 71.53 C ATOM 1333 CG2 VAL A 95 -2.078 -6.573 0.091 1.00 12.02 C ATOM 0 H VAL A 95 -4.384 -8.395 2.029 1.00 43.43 H new ATOM 0 HA VAL A 95 -1.940 -6.910 2.837 1.00 12.25 H new ATOM 0 HB VAL A 95 -4.013 -6.004 0.904 1.00 51.42 H new ATOM 0 HG11 VAL A 95 -2.487 -4.003 0.612 1.00 71.53 H new ATOM 0 HG12 VAL A 95 -3.111 -4.138 2.274 1.00 71.53 H new ATOM 0 HG13 VAL A 95 -1.446 -4.647 1.904 1.00 71.53 H new ATOM 0 HG21 VAL A 95 -2.117 -5.899 -0.765 1.00 12.02 H new ATOM 0 HG22 VAL A 95 -1.050 -6.651 0.444 1.00 12.02 H new ATOM 0 HG23 VAL A 95 -2.435 -7.559 -0.207 1.00 12.02 H new ATOM 1343 N PHE A 96 -3.306 -5.618 4.471 1.00 42.14 N ATOM 1344 CA PHE A 96 -3.900 -5.069 5.668 1.00 70.50 C ATOM 1345 C PHE A 96 -3.555 -3.580 5.732 1.00 21.32 C ATOM 1346 O PHE A 96 -2.691 -3.092 4.992 1.00 13.34 O ATOM 1347 CB PHE A 96 -3.329 -5.865 6.853 1.00 43.11 C ATOM 1348 CG PHE A 96 -4.235 -5.927 8.065 1.00 5.15 C ATOM 1349 CD1 PHE A 96 -4.210 -4.912 9.045 1.00 70.44 C ATOM 1350 CD2 PHE A 96 -5.091 -7.035 8.220 1.00 24.51 C ATOM 1351 CE1 PHE A 96 -5.054 -5.023 10.166 1.00 73.32 C ATOM 1352 CE2 PHE A 96 -5.920 -7.142 9.348 1.00 22.15 C ATOM 1353 CZ PHE A 96 -5.900 -6.134 10.324 1.00 63.20 C ATOM 0 H PHE A 96 -2.337 -5.320 4.359 1.00 42.14 H new ATOM 0 HA PHE A 96 -4.987 -5.150 5.685 1.00 70.50 H new ATOM 0 HB2 PHE A 96 -3.116 -6.882 6.522 1.00 43.11 H new ATOM 0 HB3 PHE A 96 -2.379 -5.420 7.148 1.00 43.11 H new ATOM 0 HD1 PHE A 96 -3.553 -4.062 8.936 1.00 70.44 H new ATOM 0 HD2 PHE A 96 -5.110 -7.808 7.466 1.00 24.51 H new ATOM 0 HE1 PHE A 96 -5.051 -4.244 10.914 1.00 73.32 H new ATOM 0 HE2 PHE A 96 -6.570 -7.996 9.464 1.00 22.15 H new ATOM 0 HZ PHE A 96 -6.534 -6.212 11.195 1.00 63.20 H new ATOM 1362 N ILE A 97 -4.209 -2.830 6.619 1.00 12.12 N ATOM 1363 CA ILE A 97 -3.901 -1.421 6.831 1.00 30.53 C ATOM 1364 C ILE A 97 -4.120 -1.035 8.295 1.00 22.32 C ATOM 1365 O ILE A 97 -5.063 -1.530 8.916 1.00 41.22 O ATOM 1366 CB ILE A 97 -4.717 -0.485 5.896 1.00 1.35 C ATOM 1367 CG1 ILE A 97 -6.102 -1.040 5.500 1.00 24.14 C ATOM 1368 CG2 ILE A 97 -3.886 -0.103 4.661 1.00 74.42 C ATOM 1369 CD1 ILE A 97 -6.893 -0.059 4.635 1.00 30.23 C ATOM 0 H ILE A 97 -4.964 -3.183 7.207 1.00 12.12 H new ATOM 0 HA ILE A 97 -2.849 -1.287 6.580 1.00 30.53 H new ATOM 0 HB ILE A 97 -4.929 0.414 6.474 1.00 1.35 H new ATOM 0 HG12 ILE A 97 -5.974 -1.977 4.959 1.00 24.14 H new ATOM 0 HG13 ILE A 97 -6.671 -1.267 6.401 1.00 24.14 H new ATOM 0 HG21 ILE A 97 -4.472 0.553 4.017 1.00 74.42 H new ATOM 0 HG22 ILE A 97 -2.980 0.414 4.978 1.00 74.42 H new ATOM 0 HG23 ILE A 97 -3.615 -1.005 4.111 1.00 74.42 H new ATOM 0 HD11 ILE A 97 -7.860 -0.494 4.382 1.00 30.23 H new ATOM 0 HD12 ILE A 97 -7.046 0.870 5.185 1.00 30.23 H new ATOM 0 HD13 ILE A 97 -6.338 0.148 3.720 1.00 30.23 H new ATOM 1380 N PRO A 98 -3.292 -0.119 8.830 1.00 32.33 N ATOM 1381 CA PRO A 98 -3.475 0.475 10.146 1.00 42.40 C ATOM 1382 C PRO A 98 -4.710 1.372 10.121 1.00 12.12 C ATOM 1383 O PRO A 98 -4.777 2.326 9.340 1.00 4.04 O ATOM 1384 CB PRO A 98 -2.194 1.250 10.451 1.00 51.44 C ATOM 1385 CG PRO A 98 -1.615 1.560 9.074 1.00 41.34 C ATOM 1386 CD PRO A 98 -2.105 0.418 8.188 1.00 14.44 C ATOM 0 HA PRO A 98 -3.643 -0.268 10.926 1.00 42.40 H new ATOM 0 HB2 PRO A 98 -2.403 2.162 11.011 1.00 51.44 H new ATOM 0 HB3 PRO A 98 -1.503 0.658 11.051 1.00 51.44 H new ATOM 0 HG2 PRO A 98 -1.962 2.525 8.706 1.00 41.34 H new ATOM 0 HG3 PRO A 98 -0.526 1.602 9.101 1.00 41.34 H new ATOM 0 HD2 PRO A 98 -2.335 0.776 7.184 1.00 14.44 H new ATOM 0 HD3 PRO A 98 -1.338 -0.350 8.085 1.00 14.44 H new ATOM 1391 N GLN A 99 -5.724 1.036 10.910 1.00 25.51 N ATOM 1392 CA GLN A 99 -7.053 1.634 10.877 1.00 34.15 C ATOM 1393 C GLN A 99 -7.568 1.816 12.312 1.00 13.01 C ATOM 1394 O GLN A 99 -6.805 1.703 13.277 1.00 22.31 O ATOM 1395 CB GLN A 99 -7.956 0.741 10.001 1.00 4.45 C ATOM 1396 CG GLN A 99 -7.681 0.924 8.497 1.00 14.44 C ATOM 1397 CD GLN A 99 -8.220 2.258 7.973 1.00 63.30 C ATOM 1398 OE1 GLN A 99 -9.420 2.512 8.073 1.00 65.31 O ATOM 1399 NE2 GLN A 99 -7.391 3.141 7.428 1.00 50.40 N ATOM 0 H GLN A 99 -5.639 0.309 11.620 1.00 25.51 H new ATOM 0 HA GLN A 99 -7.043 2.629 10.432 1.00 34.15 H new ATOM 0 HB2 GLN A 99 -7.801 -0.304 10.271 1.00 4.45 H new ATOM 0 HB3 GLN A 99 -9.001 0.972 10.207 1.00 4.45 H new ATOM 0 HG2 GLN A 99 -6.608 0.871 8.316 1.00 14.44 H new ATOM 0 HG3 GLN A 99 -8.139 0.105 7.942 1.00 14.44 H new ATOM 0 HE21 GLN A 99 -6.397 2.925 7.348 1.00 50.40 H new ATOM 0 HE22 GLN A 99 -7.748 4.035 7.090 1.00 50.40 H new ATOM 1406 N GLY A 100 -8.846 2.165 12.465 1.00 13.45 N ATOM 1407 CA GLY A 100 -9.489 2.294 13.765 1.00 54.20 C ATOM 1408 C GLY A 100 -10.950 2.657 13.584 1.00 31.32 C ATOM 1409 O GLY A 100 -11.829 1.883 13.961 1.00 52.43 O ATOM 0 H GLY A 100 -9.466 2.367 11.681 1.00 13.45 H new ATOM 0 HA2 GLY A 100 -9.403 1.358 14.317 1.00 54.20 H new ATOM 0 HA3 GLY A 100 -8.985 3.060 14.355 1.00 54.20 H new ATOM 1413 N GLU A 101 -11.189 3.799 12.940 1.00 62.52 N ATOM 1414 CA GLU A 101 -12.509 4.328 12.616 1.00 31.25 C ATOM 1415 C GLU A 101 -13.062 3.579 11.396 1.00 72.21 C ATOM 1416 O GLU A 101 -13.189 4.128 10.296 1.00 62.24 O ATOM 1417 CB GLU A 101 -12.406 5.847 12.377 1.00 13.14 C ATOM 1418 CG GLU A 101 -11.751 6.647 13.520 1.00 64.51 C ATOM 1419 CD GLU A 101 -12.592 6.789 14.792 1.00 5.43 C ATOM 1420 OE1 GLU A 101 -13.474 5.951 15.083 1.00 24.35 O ATOM 1421 OE2 GLU A 101 -12.354 7.755 15.547 1.00 22.52 O ATOM 0 H GLU A 101 -10.435 4.405 12.617 1.00 62.52 H new ATOM 0 HA GLU A 101 -13.203 4.175 13.442 1.00 31.25 H new ATOM 0 HB2 GLU A 101 -11.837 6.017 11.463 1.00 13.14 H new ATOM 0 HB3 GLU A 101 -13.408 6.241 12.207 1.00 13.14 H new ATOM 0 HG2 GLU A 101 -10.807 6.168 13.781 1.00 64.51 H new ATOM 0 HG3 GLU A 101 -11.511 7.644 13.151 1.00 64.51 H new ATOM 1426 N ILE A 102 -13.315 2.288 11.575 1.00 41.44 N ATOM 1427 CA ILE A 102 -13.907 1.368 10.614 1.00 33.35 C ATOM 1428 C ILE A 102 -15.215 0.904 11.237 1.00 50.40 C ATOM 1429 O ILE A 102 -15.316 -0.178 11.815 1.00 2.01 O ATOM 1430 CB ILE A 102 -12.927 0.236 10.221 1.00 74.24 C ATOM 1431 CG1 ILE A 102 -12.054 -0.290 11.383 1.00 73.44 C ATOM 1432 CG2 ILE A 102 -12.052 0.762 9.076 1.00 5.31 C ATOM 1433 CD1 ILE A 102 -11.314 -1.593 11.060 1.00 24.33 C ATOM 0 H ILE A 102 -13.096 1.825 12.457 1.00 41.44 H new ATOM 0 HA ILE A 102 -14.118 1.843 9.656 1.00 33.35 H new ATOM 0 HB ILE A 102 -13.518 -0.628 9.916 1.00 74.24 H new ATOM 0 HG12 ILE A 102 -11.325 0.474 11.652 1.00 73.44 H new ATOM 0 HG13 ILE A 102 -12.686 -0.449 12.257 1.00 73.44 H new ATOM 0 HG21 ILE A 102 -11.347 -0.012 8.772 1.00 5.31 H new ATOM 0 HG22 ILE A 102 -12.684 1.030 8.229 1.00 5.31 H new ATOM 0 HG23 ILE A 102 -11.503 1.642 9.412 1.00 5.31 H new ATOM 0 HD11 ILE A 102 -10.723 -1.899 11.923 1.00 24.33 H new ATOM 0 HD12 ILE A 102 -12.037 -2.372 10.821 1.00 24.33 H new ATOM 0 HD13 ILE A 102 -10.655 -1.435 10.206 1.00 24.33 H new ATOM 1444 N ASP A 103 -16.189 1.804 11.190 1.00 2.33 N ATOM 1445 CA ASP A 103 -17.467 1.773 11.880 1.00 12.21 C ATOM 1446 C ASP A 103 -18.290 2.914 11.297 1.00 74.12 C ATOM 1447 O ASP A 103 -17.959 3.357 10.175 1.00 14.32 O ATOM 1448 CB ASP A 103 -17.271 1.919 13.404 1.00 44.13 C ATOM 1449 CG ASP A 103 -16.381 3.096 13.806 1.00 42.21 C ATOM 1450 OD1 ASP A 103 -16.791 4.272 13.678 1.00 54.30 O ATOM 1451 OD2 ASP A 103 -15.252 2.835 14.287 1.00 62.22 O ATOM 0 H ASP A 103 -16.094 2.644 10.619 1.00 2.33 H new ATOM 0 HA ASP A 103 -17.980 0.822 11.738 1.00 12.21 H new ATOM 0 HB2 ASP A 103 -18.246 2.036 13.876 1.00 44.13 H new ATOM 0 HB3 ASP A 103 -16.837 0.998 13.794 1.00 44.13 H new TER 1455 ASP A 103