USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 724 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 49 TYR OH : rot -109:sc= -1.17 USER MOD Set 1.2: A 61 LYS NZ :NH3+ -106:sc= 1.02 (180deg=0) USER MOD Set 2.1: A 10 THR OG1 : rot 106:sc= 0.828 USER MOD Set 2.2: A 12 ASN :FLIP amide:sc= -0.657 F(o=-0.46,f=0.17) USER MOD Single : A 1 MET CE :methyl 155:sc= -0.0703 (180deg=-0.301) USER MOD Single : A 1 MET N :NH3+ 173:sc= 0 (180deg=-0.0338) USER MOD Single : A 2 SER OG : rot 180:sc= -0.164 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.3) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0.13) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0432 USER MOD Single : A 31 GLN : amide:sc= -1.72! C(o=-1.7!,f=-1.5!) USER MOD Single : A 34 HIS : no HE2:sc= -2.48 K(o=-2.5,f=-5.1!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 175:sc= -1.04 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -76:sc= 1.19 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -7.3! C(o=-7.3!,f=-11!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -106:sc= 0 (180deg=-0.608) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -150:sc= 1.18 (180deg=0.508) USER MOD Single : A 72 LYS NZ :NH3+ 159:sc= -0.228 (180deg=-0.992) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00278 USER MOD Single : A 81 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0758) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.085 -4.247 31.683 1.00 28.64 N ATOM 2 CA MET A 1 11.605 -4.871 30.418 1.00 27.80 C ATOM 3 C MET A 1 10.604 -3.933 29.736 1.00 27.07 C ATOM 4 O MET A 1 9.569 -4.355 29.257 1.00 27.19 O ATOM 5 CB MET A 1 10.928 -6.207 30.735 1.00 28.68 C ATOM 6 CG MET A 1 10.761 -7.015 29.446 1.00 28.34 C ATOM 7 SD MET A 1 12.385 -7.563 28.863 1.00 28.02 S ATOM 8 CE MET A 1 12.445 -6.546 27.368 1.00 27.09 C ATOM 0 H1 MET A 1 12.671 -4.929 32.206 1.00 28.64 H new ATOM 0 H2 MET A 1 12.651 -3.403 31.461 1.00 28.64 H new ATOM 0 H3 MET A 1 11.269 -3.973 32.266 1.00 28.64 H new ATOM 0 HA MET A 1 12.450 -5.044 29.751 1.00 27.80 H new ATOM 0 HB2 MET A 1 11.526 -6.768 31.453 1.00 28.68 H new ATOM 0 HB3 MET A 1 9.956 -6.033 31.196 1.00 28.68 H new ATOM 0 HG2 MET A 1 10.117 -7.876 29.625 1.00 28.34 H new ATOM 0 HG3 MET A 1 10.275 -6.407 28.683 1.00 28.34 H new ATOM 0 HE1 MET A 1 13.484 -6.372 27.088 1.00 27.09 H new ATOM 0 HE2 MET A 1 11.932 -7.062 26.556 1.00 27.09 H new ATOM 0 HE3 MET A 1 11.956 -5.591 27.558 1.00 27.09 H new ATOM 20 N SER A 2 10.909 -2.661 29.692 1.00 26.50 N ATOM 21 CA SER A 2 9.985 -1.684 29.046 1.00 25.97 C ATOM 22 C SER A 2 10.745 -0.888 27.984 1.00 24.63 C ATOM 23 O SER A 2 10.265 -0.686 26.885 1.00 24.40 O ATOM 24 CB SER A 2 9.433 -0.726 30.102 1.00 26.85 C ATOM 25 OG SER A 2 10.509 -0.002 30.686 1.00 27.19 O ATOM 0 H SER A 2 11.762 -2.257 30.078 1.00 26.50 H new ATOM 0 HA SER A 2 9.161 -2.221 28.577 1.00 25.97 H new ATOM 0 HB2 SER A 2 8.720 -0.038 29.648 1.00 26.85 H new ATOM 0 HB3 SER A 2 8.895 -1.283 30.869 1.00 26.85 H new ATOM 0 HG SER A 2 10.159 0.615 31.363 1.00 27.19 H new ATOM 31 N LYS A 3 11.931 -0.437 28.307 1.00 23.92 N ATOM 32 CA LYS A 3 12.733 0.350 27.323 1.00 22.81 C ATOM 33 C LYS A 3 14.220 0.050 27.520 1.00 21.93 C ATOM 34 O LYS A 3 14.711 0.008 28.633 1.00 22.35 O ATOM 35 CB LYS A 3 12.477 1.845 27.533 1.00 23.14 C ATOM 36 CG LYS A 3 12.779 2.224 28.987 1.00 24.28 C ATOM 37 CD LYS A 3 11.783 3.287 29.458 1.00 25.21 C ATOM 38 CE LYS A 3 12.015 4.584 28.681 1.00 25.16 C ATOM 39 NZ LYS A 3 11.122 5.649 29.216 1.00 26.24 N ATOM 0 H LYS A 3 12.379 -0.581 29.212 1.00 23.92 H new ATOM 0 HA LYS A 3 12.440 0.073 26.311 1.00 22.81 H new ATOM 0 HB2 LYS A 3 13.103 2.429 26.858 1.00 23.14 H new ATOM 0 HB3 LYS A 3 11.441 2.083 27.293 1.00 23.14 H new ATOM 0 HG2 LYS A 3 12.714 1.342 29.624 1.00 24.28 H new ATOM 0 HG3 LYS A 3 13.798 2.603 29.071 1.00 24.28 H new ATOM 0 HD2 LYS A 3 10.762 2.937 29.305 1.00 25.21 H new ATOM 0 HD3 LYS A 3 11.903 3.465 30.527 1.00 25.21 H new ATOM 0 HE2 LYS A 3 13.057 4.891 28.768 1.00 25.16 H new ATOM 0 HE3 LYS A 3 11.816 4.426 27.621 1.00 25.16 H new ATOM 0 HZ1 LYS A 3 11.279 6.531 28.688 1.00 26.24 H new ATOM 0 HZ2 LYS A 3 10.130 5.355 29.112 1.00 26.24 H new ATOM 0 HZ3 LYS A 3 11.333 5.805 30.222 1.00 26.24 H new ATOM 53 N ARG A 4 14.938 -0.157 26.446 1.00 20.91 N ATOM 54 CA ARG A 4 16.396 -0.454 26.557 1.00 20.27 C ATOM 55 C ARG A 4 17.155 0.831 26.889 1.00 19.70 C ATOM 56 O ARG A 4 16.593 1.910 26.893 1.00 19.60 O ATOM 57 CB ARG A 4 16.903 -1.015 25.226 1.00 19.67 C ATOM 58 CG ARG A 4 16.714 -2.534 25.203 1.00 20.34 C ATOM 59 CD ARG A 4 18.011 -3.220 25.639 1.00 20.86 C ATOM 60 NE ARG A 4 18.198 -4.479 24.851 1.00 21.00 N ATOM 61 CZ ARG A 4 19.356 -5.106 24.822 1.00 21.24 C ATOM 62 NH1 ARG A 4 20.399 -4.657 25.483 1.00 21.37 N ATOM 63 NH2 ARG A 4 19.471 -6.200 24.119 1.00 21.61 N ATOM 0 H ARG A 4 14.575 -0.133 25.493 1.00 20.91 H new ATOM 0 HA ARG A 4 16.559 -1.186 27.348 1.00 20.27 H new ATOM 0 HB2 ARG A 4 16.361 -0.559 24.398 1.00 19.67 H new ATOM 0 HB3 ARG A 4 17.956 -0.767 25.093 1.00 19.67 H new ATOM 0 HG2 ARG A 4 15.899 -2.819 25.868 1.00 20.34 H new ATOM 0 HG3 ARG A 4 16.437 -2.861 24.201 1.00 20.34 H new ATOM 0 HD2 ARG A 4 18.858 -2.552 25.484 1.00 20.86 H new ATOM 0 HD3 ARG A 4 17.975 -3.447 26.704 1.00 20.86 H new ATOM 0 HE ARG A 4 17.411 -4.860 24.325 1.00 21.00 H new ATOM 0 HH11 ARG A 4 20.323 -3.803 26.036 1.00 21.37 H new ATOM 0 HH12 ARG A 4 21.284 -5.162 25.443 1.00 21.37 H new ATOM 0 HH21 ARG A 4 18.670 -6.560 23.601 1.00 21.61 H new ATOM 0 HH22 ARG A 4 20.362 -6.695 24.088 1.00 21.61 H new ATOM 77 N LYS A 5 18.430 0.721 27.166 1.00 19.59 N ATOM 78 CA LYS A 5 19.238 1.932 27.499 1.00 19.41 C ATOM 79 C LYS A 5 19.265 2.877 26.293 1.00 18.07 C ATOM 80 O LYS A 5 19.383 4.078 26.441 1.00 18.46 O ATOM 81 CB LYS A 5 20.666 1.514 27.855 1.00 19.92 C ATOM 82 CG LYS A 5 21.250 0.657 26.728 1.00 19.62 C ATOM 83 CD LYS A 5 22.764 0.538 26.909 1.00 20.51 C ATOM 84 CE LYS A 5 23.346 -0.321 25.786 1.00 20.37 C ATOM 85 NZ LYS A 5 23.349 -1.751 26.203 1.00 21.14 N ATOM 0 H LYS A 5 18.947 -0.158 27.176 1.00 19.59 H new ATOM 0 HA LYS A 5 18.789 2.444 28.350 1.00 19.41 H new ATOM 0 HB2 LYS A 5 21.285 2.397 28.011 1.00 19.92 H new ATOM 0 HB3 LYS A 5 20.669 0.953 28.790 1.00 19.92 H new ATOM 0 HG2 LYS A 5 20.793 -0.333 26.736 1.00 19.62 H new ATOM 0 HG3 LYS A 5 21.023 1.105 25.761 1.00 19.62 H new ATOM 0 HD2 LYS A 5 23.221 1.527 26.899 1.00 20.51 H new ATOM 0 HD3 LYS A 5 22.991 0.092 27.877 1.00 20.51 H new ATOM 0 HE2 LYS A 5 22.757 -0.198 24.877 1.00 20.37 H new ATOM 0 HE3 LYS A 5 24.361 0.003 25.555 1.00 20.37 H new ATOM 0 HZ1 LYS A 5 23.745 -2.335 25.439 1.00 21.14 H new ATOM 0 HZ2 LYS A 5 23.929 -1.862 27.059 1.00 21.14 H new ATOM 0 HZ3 LYS A 5 22.375 -2.056 26.403 1.00 21.14 H new ATOM 99 N ALA A 6 19.156 2.341 25.102 1.00 16.69 N ATOM 100 CA ALA A 6 19.173 3.201 23.883 1.00 15.52 C ATOM 101 C ALA A 6 17.745 3.692 23.584 1.00 14.87 C ATOM 102 O ALA A 6 16.805 3.226 24.198 1.00 15.15 O ATOM 103 CB ALA A 6 19.700 2.389 22.696 1.00 14.50 C ATOM 0 H ALA A 6 19.056 1.342 24.923 1.00 16.69 H new ATOM 0 HA ALA A 6 19.822 4.061 24.049 1.00 15.52 H new ATOM 0 HB1 ALA A 6 19.713 3.015 21.804 1.00 14.50 H new ATOM 0 HB2 ALA A 6 20.711 2.043 22.912 1.00 14.50 H new ATOM 0 HB3 ALA A 6 19.051 1.530 22.526 1.00 14.50 H new ATOM 109 N PRO A 7 17.607 4.621 22.651 1.00 14.34 N ATOM 110 CA PRO A 7 16.280 5.157 22.291 1.00 13.99 C ATOM 111 C PRO A 7 15.378 4.031 21.773 1.00 12.84 C ATOM 112 O PRO A 7 15.844 2.959 21.435 1.00 12.23 O ATOM 113 CB PRO A 7 16.554 6.190 21.187 1.00 13.86 C ATOM 114 CG PRO A 7 18.083 6.224 20.938 1.00 14.21 C ATOM 115 CD PRO A 7 18.734 5.207 21.887 1.00 14.47 C ATOM 0 HA PRO A 7 15.767 5.603 23.143 1.00 13.99 H new ATOM 0 HB2 PRO A 7 16.024 5.922 20.273 1.00 13.86 H new ATOM 0 HB3 PRO A 7 16.194 7.174 21.487 1.00 13.86 H new ATOM 0 HG2 PRO A 7 18.307 5.976 19.900 1.00 14.21 H new ATOM 0 HG3 PRO A 7 18.478 7.224 21.120 1.00 14.21 H new ATOM 0 HD2 PRO A 7 19.276 4.441 21.333 1.00 14.47 H new ATOM 0 HD3 PRO A 7 19.452 5.689 22.550 1.00 14.47 H new ATOM 123 N GLN A 8 14.094 4.272 21.712 1.00 12.88 N ATOM 124 CA GLN A 8 13.153 3.222 21.220 1.00 12.14 C ATOM 125 C GLN A 8 13.458 2.907 19.754 1.00 10.67 C ATOM 126 O GLN A 8 13.718 3.793 18.962 1.00 10.65 O ATOM 127 CB GLN A 8 11.714 3.729 21.343 1.00 13.00 C ATOM 128 CG GLN A 8 10.748 2.545 21.276 1.00 13.36 C ATOM 129 CD GLN A 8 9.380 2.972 21.814 1.00 14.70 C ATOM 130 OE1 GLN A 8 9.005 4.122 21.706 1.00 15.16 O ATOM 131 NE2 GLN A 8 8.616 2.086 22.392 1.00 15.64 N ATOM 0 H GLN A 8 13.656 5.153 21.982 1.00 12.88 H new ATOM 0 HA GLN A 8 13.274 2.319 21.818 1.00 12.14 H new ATOM 0 HB2 GLN A 8 11.585 4.264 22.284 1.00 13.00 H new ATOM 0 HB3 GLN A 8 11.496 4.435 20.542 1.00 13.00 H new ATOM 0 HG2 GLN A 8 10.654 2.197 20.248 1.00 13.36 H new ATOM 0 HG3 GLN A 8 11.137 1.711 21.861 1.00 13.36 H new ATOM 0 HE21 GLN A 8 8.933 1.121 22.482 1.00 15.64 H new ATOM 0 HE22 GLN A 8 7.702 2.359 22.754 1.00 15.64 H new ATOM 140 N GLU A 9 13.426 1.650 19.391 1.00 9.81 N ATOM 141 CA GLU A 9 13.711 1.265 17.978 1.00 8.65 C ATOM 142 C GLU A 9 12.754 0.148 17.554 1.00 7.95 C ATOM 143 O GLU A 9 12.808 -0.953 18.069 1.00 8.46 O ATOM 144 CB GLU A 9 15.155 0.771 17.864 1.00 8.86 C ATOM 145 CG GLU A 9 16.099 1.971 17.772 1.00 9.54 C ATOM 146 CD GLU A 9 17.549 1.487 17.833 1.00 10.29 C ATOM 147 OE1 GLU A 9 17.985 1.123 18.912 1.00 11.05 O ATOM 148 OE2 GLU A 9 18.197 1.487 16.800 1.00 10.48 O ATOM 0 H GLU A 9 13.214 0.872 20.016 1.00 9.81 H new ATOM 0 HA GLU A 9 13.572 2.130 17.329 1.00 8.65 H new ATOM 0 HB2 GLU A 9 15.411 0.159 18.729 1.00 8.86 H new ATOM 0 HB3 GLU A 9 15.266 0.139 16.983 1.00 8.86 H new ATOM 0 HG2 GLU A 9 15.925 2.514 16.843 1.00 9.54 H new ATOM 0 HG3 GLU A 9 15.902 2.665 18.589 1.00 9.54 H new ATOM 155 N THR A 10 11.879 0.427 16.621 1.00 7.21 N ATOM 156 CA THR A 10 10.913 -0.612 16.159 1.00 6.89 C ATOM 157 C THR A 10 11.196 -0.960 14.696 1.00 5.53 C ATOM 158 O THR A 10 11.443 -0.092 13.880 1.00 5.09 O ATOM 159 CB THR A 10 9.486 -0.074 16.290 1.00 7.85 C ATOM 160 OG1 THR A 10 9.447 1.276 15.852 1.00 7.84 O ATOM 161 CG2 THR A 10 9.043 -0.152 17.753 1.00 9.34 C ATOM 0 H THR A 10 11.793 1.332 16.159 1.00 7.21 H new ATOM 0 HA THR A 10 11.022 -1.507 16.771 1.00 6.89 H new ATOM 0 HB THR A 10 8.814 -0.673 15.676 1.00 7.85 H new ATOM 0 HG1 THR A 10 9.007 1.324 14.977 1.00 7.84 H new ATOM 0 HG21 THR A 10 8.027 0.231 17.846 1.00 9.34 H new ATOM 0 HG22 THR A 10 9.072 -1.189 18.087 1.00 9.34 H new ATOM 0 HG23 THR A 10 9.714 0.446 18.369 1.00 9.34 H new ATOM 169 N LEU A 11 11.162 -2.226 14.364 1.00 5.50 N ATOM 170 CA LEU A 11 11.431 -2.644 12.955 1.00 4.86 C ATOM 171 C LEU A 11 10.221 -2.309 12.079 1.00 4.01 C ATOM 172 O LEU A 11 9.233 -3.019 12.070 1.00 4.54 O ATOM 173 CB LEU A 11 11.698 -4.153 12.903 1.00 6.13 C ATOM 174 CG LEU A 11 10.578 -4.912 13.637 1.00 7.47 C ATOM 175 CD1 LEU A 11 10.052 -6.044 12.749 1.00 8.83 C ATOM 176 CD2 LEU A 11 11.125 -5.508 14.938 1.00 8.66 C ATOM 0 H LEU A 11 10.959 -2.989 15.009 1.00 5.50 H new ATOM 0 HA LEU A 11 12.306 -2.110 12.585 1.00 4.86 H new ATOM 0 HB2 LEU A 11 11.755 -4.485 11.866 1.00 6.13 H new ATOM 0 HB3 LEU A 11 12.661 -4.376 13.362 1.00 6.13 H new ATOM 0 HG LEU A 11 9.768 -4.218 13.863 1.00 7.47 H new ATOM 0 HD11 LEU A 11 9.259 -6.579 13.272 1.00 8.83 H new ATOM 0 HD12 LEU A 11 9.658 -5.626 11.823 1.00 8.83 H new ATOM 0 HD13 LEU A 11 10.864 -6.734 12.519 1.00 8.83 H new ATOM 0 HD21 LEU A 11 10.330 -6.045 15.455 1.00 8.66 H new ATOM 0 HD22 LEU A 11 11.938 -6.197 14.709 1.00 8.66 H new ATOM 0 HD23 LEU A 11 11.497 -4.707 15.577 1.00 8.66 H new ATOM 188 N ASN A 12 10.296 -1.232 11.340 1.00 3.17 N ATOM 189 CA ASN A 12 9.159 -0.841 10.455 1.00 2.65 C ATOM 190 C ASN A 12 9.688 -0.559 9.048 1.00 1.90 C ATOM 191 O ASN A 12 10.862 -0.730 8.774 1.00 2.00 O ATOM 192 CB ASN A 12 8.490 0.420 11.009 1.00 3.17 C ATOM 193 CG ASN A 12 8.112 0.197 12.475 1.00 4.24 C ATOM 194 OD1 ASN A 12 8.130 1.207 13.301 1.00 4.91 O flip ATOM 195 ND2 ASN A 12 7.797 -0.907 12.872 1.00 5.08 N flip ATOM 0 H ASN A 12 11.099 -0.604 11.312 1.00 3.17 H new ATOM 0 HA ASN A 12 8.431 -1.651 10.417 1.00 2.65 H new ATOM 0 HB2 ASN A 12 9.166 1.271 10.922 1.00 3.17 H new ATOM 0 HB3 ASN A 12 7.601 0.659 10.426 1.00 3.17 H new ATOM 0 HD21 ASN A 12 7.783 -1.696 12.226 1.00 5.08 H new ATOM 0 HD22 ASN A 12 7.547 -1.045 13.851 1.00 5.08 H new ATOM 202 N GLY A 13 8.834 -0.123 8.157 1.00 1.67 N ATOM 203 CA GLY A 13 9.286 0.177 6.766 1.00 1.71 C ATOM 204 C GLY A 13 8.931 -0.987 5.838 1.00 1.57 C ATOM 205 O GLY A 13 9.758 -1.826 5.535 1.00 2.52 O ATOM 0 H GLY A 13 7.842 0.038 8.334 1.00 1.67 H new ATOM 0 HA2 GLY A 13 8.814 1.093 6.411 1.00 1.71 H new ATOM 0 HA3 GLY A 13 10.362 0.348 6.753 1.00 1.71 H new ATOM 209 N GLY A 14 7.706 -1.036 5.380 1.00 1.39 N ATOM 210 CA GLY A 14 7.282 -2.136 4.461 1.00 1.40 C ATOM 211 C GLY A 14 5.999 -1.722 3.734 1.00 1.14 C ATOM 212 O GLY A 14 5.180 -2.550 3.384 1.00 1.30 O ATOM 0 H GLY A 14 6.978 -0.358 5.604 1.00 1.39 H new ATOM 0 HA2 GLY A 14 8.071 -2.347 3.739 1.00 1.40 H new ATOM 0 HA3 GLY A 14 7.114 -3.053 5.026 1.00 1.40 H new ATOM 216 N ILE A 15 5.819 -0.445 3.517 1.00 0.86 N ATOM 217 CA ILE A 15 4.590 0.043 2.825 1.00 0.72 C ATOM 218 C ILE A 15 4.806 0.119 1.321 1.00 0.62 C ATOM 219 O ILE A 15 4.181 -0.593 0.571 1.00 0.76 O ATOM 220 CB ILE A 15 4.228 1.434 3.308 1.00 0.61 C ATOM 221 CG1 ILE A 15 4.258 1.505 4.831 1.00 0.76 C ATOM 222 CG2 ILE A 15 2.828 1.750 2.821 1.00 0.70 C ATOM 223 CD1 ILE A 15 4.051 2.957 5.242 1.00 1.05 C ATOM 0 H ILE A 15 6.476 0.285 3.792 1.00 0.86 H new ATOM 0 HA ILE A 15 3.790 -0.662 3.052 1.00 0.72 H new ATOM 0 HB ILE A 15 4.950 2.152 2.919 1.00 0.61 H new ATOM 0 HG12 ILE A 15 3.478 0.874 5.257 1.00 0.76 H new ATOM 0 HG13 ILE A 15 5.210 1.134 5.211 1.00 0.76 H new ATOM 0 HG21 ILE A 15 2.543 2.747 3.156 1.00 0.70 H new ATOM 0 HG22 ILE A 15 2.804 1.712 1.732 1.00 0.70 H new ATOM 0 HG23 ILE A 15 2.128 1.018 3.225 1.00 0.70 H new ATOM 0 HD11 ILE A 15 4.069 3.033 6.329 1.00 1.05 H new ATOM 0 HD12 ILE A 15 4.848 3.571 4.822 1.00 1.05 H new ATOM 0 HD13 ILE A 15 3.088 3.307 4.869 1.00 1.05 H new ATOM 235 N THR A 16 5.648 1.014 0.879 1.00 0.49 N ATOM 236 CA THR A 16 5.865 1.175 -0.581 1.00 0.50 C ATOM 237 C THR A 16 6.492 -0.093 -1.169 1.00 0.52 C ATOM 238 O THR A 16 6.341 -0.378 -2.341 1.00 0.57 O ATOM 239 CB THR A 16 6.783 2.377 -0.844 1.00 0.55 C ATOM 240 OG1 THR A 16 7.187 2.372 -2.208 1.00 0.66 O ATOM 241 CG2 THR A 16 8.019 2.309 0.059 1.00 0.60 C ATOM 0 H THR A 16 6.194 1.640 1.470 1.00 0.49 H new ATOM 0 HA THR A 16 4.901 1.346 -1.060 1.00 0.50 H new ATOM 0 HB THR A 16 6.238 3.295 -0.625 1.00 0.55 H new ATOM 0 HG1 THR A 16 7.772 3.139 -2.379 1.00 0.66 H new ATOM 0 HG21 THR A 16 8.661 3.167 -0.138 1.00 0.60 H new ATOM 0 HG22 THR A 16 7.708 2.321 1.104 1.00 0.60 H new ATOM 0 HG23 THR A 16 8.569 1.390 -0.145 1.00 0.60 H new ATOM 249 N ASP A 17 7.201 -0.849 -0.369 1.00 0.56 N ATOM 250 CA ASP A 17 7.848 -2.093 -0.886 1.00 0.64 C ATOM 251 C ASP A 17 6.823 -3.227 -0.964 1.00 0.60 C ATOM 252 O ASP A 17 6.713 -3.904 -1.968 1.00 0.64 O ATOM 253 CB ASP A 17 8.986 -2.500 0.053 1.00 0.76 C ATOM 254 CG ASP A 17 10.284 -1.824 -0.395 1.00 1.52 C ATOM 255 OD1 ASP A 17 10.528 -1.787 -1.589 1.00 2.55 O ATOM 256 OD2 ASP A 17 11.009 -1.352 0.465 1.00 2.40 O ATOM 0 H ASP A 17 7.360 -0.658 0.620 1.00 0.56 H new ATOM 0 HA ASP A 17 8.242 -1.901 -1.884 1.00 0.64 H new ATOM 0 HB2 ASP A 17 8.748 -2.211 1.077 1.00 0.76 H new ATOM 0 HB3 ASP A 17 9.107 -3.583 0.047 1.00 0.76 H new ATOM 261 N MET A 18 6.080 -3.446 0.092 1.00 0.63 N ATOM 262 CA MET A 18 5.068 -4.544 0.087 1.00 0.67 C ATOM 263 C MET A 18 3.910 -4.198 -0.857 1.00 0.59 C ATOM 264 O MET A 18 3.212 -5.078 -1.339 1.00 0.60 O ATOM 265 CB MET A 18 4.527 -4.746 1.503 1.00 0.82 C ATOM 266 CG MET A 18 5.683 -5.080 2.448 1.00 1.72 C ATOM 267 SD MET A 18 6.077 -6.842 2.317 1.00 1.94 S ATOM 268 CE MET A 18 6.123 -7.198 4.092 1.00 2.42 C ATOM 0 H MET A 18 6.132 -2.910 0.958 1.00 0.63 H new ATOM 0 HA MET A 18 5.545 -5.461 -0.260 1.00 0.67 H new ATOM 0 HB2 MET A 18 4.016 -3.844 1.841 1.00 0.82 H new ATOM 0 HB3 MET A 18 3.792 -5.551 1.512 1.00 0.82 H new ATOM 0 HG2 MET A 18 6.558 -4.481 2.196 1.00 1.72 H new ATOM 0 HG3 MET A 18 5.412 -4.832 3.474 1.00 1.72 H new ATOM 0 HE1 MET A 18 6.354 -8.252 4.246 1.00 2.42 H new ATOM 0 HE2 MET A 18 6.890 -6.585 4.566 1.00 2.42 H new ATOM 0 HE3 MET A 18 5.153 -6.971 4.534 1.00 2.42 H new ATOM 278 N LEU A 19 3.712 -2.933 -1.154 1.00 0.56 N ATOM 279 CA LEU A 19 2.615 -2.559 -2.085 1.00 0.54 C ATOM 280 C LEU A 19 3.103 -2.896 -3.487 1.00 0.46 C ATOM 281 O LEU A 19 2.396 -3.464 -4.299 1.00 0.48 O ATOM 282 CB LEU A 19 2.287 -1.061 -1.981 1.00 0.61 C ATOM 283 CG LEU A 19 0.816 -0.889 -1.570 1.00 0.72 C ATOM 284 CD1 LEU A 19 0.496 0.594 -1.381 1.00 2.02 C ATOM 285 CD2 LEU A 19 -0.094 -1.467 -2.661 1.00 1.73 C ATOM 0 H LEU A 19 4.262 -2.154 -0.791 1.00 0.56 H new ATOM 0 HA LEU A 19 1.702 -3.101 -1.840 1.00 0.54 H new ATOM 0 HB2 LEU A 19 2.939 -0.584 -1.249 1.00 0.61 H new ATOM 0 HB3 LEU A 19 2.469 -0.570 -2.937 1.00 0.61 H new ATOM 0 HG LEU A 19 0.647 -1.417 -0.632 1.00 0.72 H new ATOM 0 HD11 LEU A 19 -0.548 0.707 -1.090 1.00 2.02 H new ATOM 0 HD12 LEU A 19 1.136 1.008 -0.602 1.00 2.02 H new ATOM 0 HD13 LEU A 19 0.671 1.126 -2.316 1.00 2.02 H new ATOM 0 HD21 LEU A 19 -1.137 -1.344 -2.368 1.00 1.73 H new ATOM 0 HD22 LEU A 19 0.084 -0.941 -3.599 1.00 1.73 H new ATOM 0 HD23 LEU A 19 0.124 -2.527 -2.792 1.00 1.73 H new ATOM 297 N VAL A 20 4.342 -2.575 -3.746 1.00 0.45 N ATOM 298 CA VAL A 20 4.950 -2.893 -5.058 1.00 0.50 C ATOM 299 C VAL A 20 5.084 -4.421 -5.188 1.00 0.56 C ATOM 300 O VAL A 20 5.241 -4.938 -6.275 1.00 0.65 O ATOM 301 CB VAL A 20 6.331 -2.229 -5.133 1.00 0.57 C ATOM 302 CG1 VAL A 20 7.017 -2.586 -6.449 1.00 0.75 C ATOM 303 CG2 VAL A 20 6.166 -0.710 -5.050 1.00 0.60 C ATOM 0 H VAL A 20 4.963 -2.099 -3.091 1.00 0.45 H new ATOM 0 HA VAL A 20 4.327 -2.520 -5.871 1.00 0.50 H new ATOM 0 HB VAL A 20 6.942 -2.585 -4.303 1.00 0.57 H new ATOM 0 HG11 VAL A 20 7.996 -2.109 -6.490 1.00 0.75 H new ATOM 0 HG12 VAL A 20 7.137 -3.667 -6.515 1.00 0.75 H new ATOM 0 HG13 VAL A 20 6.408 -2.237 -7.283 1.00 0.75 H new ATOM 0 HG21 VAL A 20 7.145 -0.234 -5.103 1.00 0.60 H new ATOM 0 HG22 VAL A 20 5.550 -0.365 -5.880 1.00 0.60 H new ATOM 0 HG23 VAL A 20 5.685 -0.447 -4.108 1.00 0.60 H new ATOM 313 N GLU A 21 5.018 -5.144 -4.088 1.00 0.64 N ATOM 314 CA GLU A 21 5.128 -6.629 -4.153 1.00 0.80 C ATOM 315 C GLU A 21 3.871 -7.182 -4.824 1.00 0.71 C ATOM 316 O GLU A 21 3.941 -8.013 -5.717 1.00 0.72 O ATOM 317 CB GLU A 21 5.249 -7.197 -2.734 1.00 1.03 C ATOM 318 CG GLU A 21 6.713 -7.533 -2.436 1.00 1.47 C ATOM 319 CD GLU A 21 6.972 -9.008 -2.744 1.00 1.62 C ATOM 320 OE1 GLU A 21 6.694 -9.830 -1.886 1.00 2.64 O ATOM 321 OE2 GLU A 21 7.443 -9.292 -3.833 1.00 2.48 O ATOM 0 H GLU A 21 4.892 -4.762 -3.151 1.00 0.64 H new ATOM 0 HA GLU A 21 6.011 -6.914 -4.725 1.00 0.80 H new ATOM 0 HB2 GLU A 21 4.877 -6.473 -2.009 1.00 1.03 H new ATOM 0 HB3 GLU A 21 4.633 -8.091 -2.636 1.00 1.03 H new ATOM 0 HG2 GLU A 21 7.371 -6.904 -3.036 1.00 1.47 H new ATOM 0 HG3 GLU A 21 6.939 -7.324 -1.390 1.00 1.47 H new ATOM 328 N LEU A 22 2.711 -6.717 -4.412 1.00 0.74 N ATOM 329 CA LEU A 22 1.451 -7.210 -5.044 1.00 0.78 C ATOM 330 C LEU A 22 1.476 -6.855 -6.530 1.00 0.63 C ATOM 331 O LEU A 22 0.988 -7.593 -7.361 1.00 0.67 O ATOM 332 CB LEU A 22 0.228 -6.569 -4.387 1.00 1.08 C ATOM 333 CG LEU A 22 -0.959 -7.534 -4.489 1.00 1.03 C ATOM 334 CD1 LEU A 22 -2.159 -6.952 -3.748 1.00 1.67 C ATOM 335 CD2 LEU A 22 -1.333 -7.745 -5.959 1.00 1.92 C ATOM 0 H LEU A 22 2.587 -6.025 -3.673 1.00 0.74 H new ATOM 0 HA LEU A 22 1.385 -8.290 -4.912 1.00 0.78 H new ATOM 0 HB2 LEU A 22 0.439 -6.341 -3.342 1.00 1.08 H new ATOM 0 HB3 LEU A 22 -0.011 -5.625 -4.877 1.00 1.08 H new ATOM 0 HG LEU A 22 -0.679 -8.488 -4.043 1.00 1.03 H new ATOM 0 HD11 LEU A 22 -3.001 -7.640 -3.822 1.00 1.67 H new ATOM 0 HD12 LEU A 22 -1.902 -6.805 -2.699 1.00 1.67 H new ATOM 0 HD13 LEU A 22 -2.432 -5.995 -4.193 1.00 1.67 H new ATOM 0 HD21 LEU A 22 -2.177 -8.432 -6.025 1.00 1.92 H new ATOM 0 HD22 LEU A 22 -1.607 -6.789 -6.405 1.00 1.92 H new ATOM 0 HD23 LEU A 22 -0.481 -8.165 -6.494 1.00 1.92 H new ATOM 347 N ALA A 23 2.065 -5.738 -6.871 1.00 0.59 N ATOM 348 CA ALA A 23 2.150 -5.347 -8.307 1.00 0.69 C ATOM 349 C ALA A 23 3.152 -6.271 -9.008 1.00 0.71 C ATOM 350 O ALA A 23 3.040 -6.544 -10.188 1.00 0.83 O ATOM 351 CB ALA A 23 2.619 -3.896 -8.422 1.00 0.90 C ATOM 0 H ALA A 23 2.490 -5.081 -6.217 1.00 0.59 H new ATOM 0 HA ALA A 23 1.170 -5.438 -8.774 1.00 0.69 H new ATOM 0 HB1 ALA A 23 2.679 -3.615 -9.474 1.00 0.90 H new ATOM 0 HB2 ALA A 23 1.910 -3.243 -7.912 1.00 0.90 H new ATOM 0 HB3 ALA A 23 3.602 -3.794 -7.962 1.00 0.90 H new ATOM 357 N ASN A 24 4.121 -6.763 -8.277 1.00 0.73 N ATOM 358 CA ASN A 24 5.132 -7.684 -8.868 1.00 0.95 C ATOM 359 C ASN A 24 4.574 -9.116 -8.927 1.00 1.04 C ATOM 360 O ASN A 24 5.242 -10.014 -9.401 1.00 1.34 O ATOM 361 CB ASN A 24 6.396 -7.669 -8.004 1.00 1.01 C ATOM 362 CG ASN A 24 7.500 -8.467 -8.699 1.00 2.02 C ATOM 363 OD1 ASN A 24 7.926 -9.493 -8.207 1.00 3.73 O ATOM 364 ND2 ASN A 24 7.988 -8.034 -9.830 1.00 2.25 N ATOM 0 H ASN A 24 4.253 -6.562 -7.286 1.00 0.73 H new ATOM 0 HA ASN A 24 5.369 -7.352 -9.879 1.00 0.95 H new ATOM 0 HB2 ASN A 24 6.724 -6.643 -7.839 1.00 1.01 H new ATOM 0 HB3 ASN A 24 6.185 -8.098 -7.024 1.00 1.01 H new ATOM 0 HD21 ASN A 24 8.727 -8.557 -10.300 1.00 2.25 H new ATOM 0 HD22 ASN A 24 7.631 -7.173 -10.243 1.00 2.25 H new ATOM 371 N PHE A 25 3.356 -9.333 -8.447 1.00 0.87 N ATOM 372 CA PHE A 25 2.721 -10.704 -8.467 1.00 1.05 C ATOM 373 C PHE A 25 3.031 -11.433 -9.787 1.00 1.30 C ATOM 374 O PHE A 25 3.404 -12.590 -9.796 1.00 1.64 O ATOM 375 CB PHE A 25 1.196 -10.540 -8.319 1.00 0.88 C ATOM 376 CG PHE A 25 0.740 -11.011 -6.955 1.00 1.07 C ATOM 377 CD1 PHE A 25 1.409 -10.591 -5.800 1.00 1.80 C ATOM 378 CD2 PHE A 25 -0.367 -11.861 -6.851 1.00 2.42 C ATOM 379 CE1 PHE A 25 0.973 -11.021 -4.543 1.00 1.94 C ATOM 380 CE2 PHE A 25 -0.804 -12.293 -5.595 1.00 2.64 C ATOM 381 CZ PHE A 25 -0.134 -11.873 -4.439 1.00 1.66 C ATOM 0 H PHE A 25 2.770 -8.606 -8.037 1.00 0.87 H new ATOM 0 HA PHE A 25 3.125 -11.297 -7.646 1.00 1.05 H new ATOM 0 HB2 PHE A 25 0.922 -9.494 -8.459 1.00 0.88 H new ATOM 0 HB3 PHE A 25 0.686 -11.110 -9.096 1.00 0.88 H new ATOM 0 HD1 PHE A 25 2.263 -9.934 -5.880 1.00 1.80 H new ATOM 0 HD2 PHE A 25 -0.885 -12.184 -7.742 1.00 2.42 H new ATOM 0 HE1 PHE A 25 1.490 -10.696 -3.652 1.00 1.94 H new ATOM 0 HE2 PHE A 25 -1.658 -12.950 -5.516 1.00 2.64 H new ATOM 0 HZ PHE A 25 -0.471 -12.206 -3.468 1.00 1.66 H new ATOM 391 N GLU A 26 2.901 -10.745 -10.895 1.00 1.28 N ATOM 392 CA GLU A 26 3.204 -11.361 -12.231 1.00 1.61 C ATOM 393 C GLU A 26 2.527 -12.732 -12.383 1.00 1.79 C ATOM 394 O GLU A 26 2.985 -13.577 -13.129 1.00 2.24 O ATOM 395 CB GLU A 26 4.719 -11.534 -12.369 1.00 1.90 C ATOM 396 CG GLU A 26 5.125 -11.337 -13.831 1.00 2.45 C ATOM 397 CD GLU A 26 6.509 -10.688 -13.895 1.00 2.57 C ATOM 398 OE1 GLU A 26 7.464 -11.335 -13.496 1.00 3.51 O ATOM 399 OE2 GLU A 26 6.591 -9.555 -14.340 1.00 2.72 O ATOM 0 H GLU A 26 2.595 -9.773 -10.934 1.00 1.28 H new ATOM 0 HA GLU A 26 2.819 -10.701 -13.008 1.00 1.61 H new ATOM 0 HB2 GLU A 26 5.237 -10.813 -11.737 1.00 1.90 H new ATOM 0 HB3 GLU A 26 5.015 -12.527 -12.029 1.00 1.90 H new ATOM 0 HG2 GLU A 26 5.138 -12.296 -14.348 1.00 2.45 H new ATOM 0 HG3 GLU A 26 4.394 -10.710 -14.341 1.00 2.45 H new ATOM 406 N LYS A 27 1.441 -12.954 -11.688 1.00 1.62 N ATOM 407 CA LYS A 27 0.730 -14.262 -11.794 1.00 1.87 C ATOM 408 C LYS A 27 -0.762 -14.036 -11.539 1.00 1.66 C ATOM 409 O LYS A 27 -1.545 -13.939 -12.465 1.00 1.61 O ATOM 410 CB LYS A 27 1.298 -15.243 -10.762 1.00 2.29 C ATOM 411 CG LYS A 27 2.351 -16.135 -11.426 1.00 2.54 C ATOM 412 CD LYS A 27 2.290 -17.538 -10.822 1.00 3.34 C ATOM 413 CE LYS A 27 1.177 -18.338 -11.500 1.00 3.75 C ATOM 414 NZ LYS A 27 1.402 -19.794 -11.276 1.00 4.62 N ATOM 0 H LYS A 27 1.015 -12.282 -11.049 1.00 1.62 H new ATOM 0 HA LYS A 27 0.870 -14.682 -12.790 1.00 1.87 H new ATOM 0 HB2 LYS A 27 1.743 -14.695 -9.931 1.00 2.29 H new ATOM 0 HB3 LYS A 27 0.497 -15.855 -10.348 1.00 2.29 H new ATOM 0 HG2 LYS A 27 2.176 -16.183 -12.501 1.00 2.54 H new ATOM 0 HG3 LYS A 27 3.344 -15.710 -11.284 1.00 2.54 H new ATOM 0 HD2 LYS A 27 3.247 -18.043 -10.953 1.00 3.34 H new ATOM 0 HD3 LYS A 27 2.106 -17.476 -9.749 1.00 3.34 H new ATOM 0 HE2 LYS A 27 0.207 -18.043 -11.099 1.00 3.75 H new ATOM 0 HE3 LYS A 27 1.159 -18.122 -12.568 1.00 3.75 H new ATOM 0 HZ1 LYS A 27 0.645 -20.337 -11.737 1.00 4.62 H new ATOM 0 HZ2 LYS A 27 2.320 -20.069 -11.679 1.00 4.62 H new ATOM 0 HZ3 LYS A 27 1.398 -19.993 -10.255 1.00 4.62 H new ATOM 428 N ASN A 28 -1.156 -13.928 -10.295 1.00 1.72 N ATOM 429 CA ASN A 28 -2.592 -13.682 -9.984 1.00 1.78 C ATOM 430 C ASN A 28 -2.959 -12.271 -10.453 1.00 1.55 C ATOM 431 O ASN A 28 -4.088 -11.999 -10.812 1.00 1.92 O ATOM 432 CB ASN A 28 -2.820 -13.796 -8.475 1.00 2.04 C ATOM 433 CG ASN A 28 -4.211 -14.376 -8.213 1.00 2.68 C ATOM 434 OD1 ASN A 28 -5.205 -13.821 -8.639 1.00 3.40 O ATOM 435 ND2 ASN A 28 -4.325 -15.479 -7.525 1.00 3.13 N ATOM 0 H ASN A 28 -0.543 -14.000 -9.483 1.00 1.72 H new ATOM 0 HA ASN A 28 -3.214 -14.419 -10.493 1.00 1.78 H new ATOM 0 HB2 ASN A 28 -2.058 -14.434 -8.028 1.00 2.04 H new ATOM 0 HB3 ASN A 28 -2.729 -12.816 -8.007 1.00 2.04 H new ATOM 0 HD21 ASN A 28 -5.248 -15.875 -7.345 1.00 3.13 H new ATOM 0 HD22 ASN A 28 -3.491 -15.945 -7.167 1.00 3.13 H new ATOM 442 N VAL A 29 -2.000 -11.376 -10.455 1.00 1.31 N ATOM 443 CA VAL A 29 -2.263 -9.982 -10.901 1.00 1.35 C ATOM 444 C VAL A 29 -1.468 -9.729 -12.177 1.00 1.78 C ATOM 445 O VAL A 29 -0.278 -9.475 -12.135 1.00 2.91 O ATOM 446 CB VAL A 29 -1.788 -8.992 -9.838 1.00 1.02 C ATOM 447 CG1 VAL A 29 -2.470 -7.648 -10.066 1.00 1.34 C ATOM 448 CG2 VAL A 29 -2.118 -9.499 -8.422 1.00 0.96 C ATOM 0 H VAL A 29 -1.040 -11.559 -10.163 1.00 1.31 H new ATOM 0 HA VAL A 29 -3.332 -9.851 -11.069 1.00 1.35 H new ATOM 0 HB VAL A 29 -0.706 -8.886 -9.921 1.00 1.02 H new ATOM 0 HG11 VAL A 29 -2.135 -6.937 -9.311 1.00 1.34 H new ATOM 0 HG12 VAL A 29 -2.213 -7.273 -11.057 1.00 1.34 H new ATOM 0 HG13 VAL A 29 -3.551 -7.772 -9.994 1.00 1.34 H new ATOM 0 HG21 VAL A 29 -1.769 -8.775 -7.686 1.00 0.96 H new ATOM 0 HG22 VAL A 29 -3.196 -9.626 -8.323 1.00 0.96 H new ATOM 0 HG23 VAL A 29 -1.623 -10.455 -8.253 1.00 0.96 H new ATOM 458 N SER A 30 -2.110 -9.803 -13.306 1.00 2.09 N ATOM 459 CA SER A 30 -1.400 -9.576 -14.595 1.00 2.50 C ATOM 460 C SER A 30 -0.842 -8.147 -14.640 1.00 2.69 C ATOM 461 O SER A 30 -0.664 -7.512 -13.617 1.00 3.54 O ATOM 462 CB SER A 30 -2.392 -9.781 -15.729 1.00 3.72 C ATOM 463 OG SER A 30 -1.695 -10.171 -16.905 1.00 4.28 O ATOM 0 H SER A 30 -3.104 -10.013 -13.393 1.00 2.09 H new ATOM 0 HA SER A 30 -0.569 -10.275 -14.693 1.00 2.50 H new ATOM 0 HB2 SER A 30 -3.120 -10.544 -15.455 1.00 3.72 H new ATOM 0 HB3 SER A 30 -2.947 -8.861 -15.911 1.00 3.72 H new ATOM 0 HG SER A 30 -2.335 -10.305 -17.635 1.00 4.28 H new ATOM 469 N GLN A 31 -0.557 -7.643 -15.816 1.00 3.39 N ATOM 470 CA GLN A 31 -0.003 -6.264 -15.933 1.00 4.89 C ATOM 471 C GLN A 31 -1.093 -5.302 -16.415 1.00 5.21 C ATOM 472 O GLN A 31 -0.819 -4.352 -17.123 1.00 6.58 O ATOM 473 CB GLN A 31 1.150 -6.265 -16.940 1.00 6.35 C ATOM 474 CG GLN A 31 2.256 -7.207 -16.456 1.00 6.75 C ATOM 475 CD GLN A 31 1.900 -8.650 -16.823 1.00 6.40 C ATOM 476 OE1 GLN A 31 1.927 -9.526 -15.981 1.00 6.95 O ATOM 477 NE2 GLN A 31 1.567 -8.937 -18.052 1.00 6.21 N ATOM 0 H GLN A 31 -0.686 -8.132 -16.702 1.00 3.39 H new ATOM 0 HA GLN A 31 0.357 -5.939 -14.957 1.00 4.89 H new ATOM 0 HB2 GLN A 31 0.791 -6.583 -17.919 1.00 6.35 H new ATOM 0 HB3 GLN A 31 1.544 -5.256 -17.057 1.00 6.35 H new ATOM 0 HG2 GLN A 31 3.208 -6.930 -16.910 1.00 6.75 H new ATOM 0 HG3 GLN A 31 2.379 -7.115 -15.377 1.00 6.75 H new ATOM 0 HE21 GLN A 31 1.544 -8.202 -18.759 1.00 6.21 H new ATOM 0 HE22 GLN A 31 1.330 -9.896 -18.305 1.00 6.21 H new ATOM 486 N ALA A 32 -2.327 -5.538 -16.038 1.00 4.28 N ATOM 487 CA ALA A 32 -3.432 -4.633 -16.479 1.00 4.67 C ATOM 488 C ALA A 32 -4.754 -5.069 -15.837 1.00 3.44 C ATOM 489 O ALA A 32 -5.792 -5.066 -16.472 1.00 3.96 O ATOM 490 CB ALA A 32 -3.559 -4.691 -18.003 1.00 5.92 C ATOM 0 H ALA A 32 -2.615 -6.317 -15.445 1.00 4.28 H new ATOM 0 HA ALA A 32 -3.205 -3.613 -16.169 1.00 4.67 H new ATOM 0 HB1 ALA A 32 -4.364 -4.032 -18.326 1.00 5.92 H new ATOM 0 HB2 ALA A 32 -2.622 -4.370 -18.459 1.00 5.92 H new ATOM 0 HB3 ALA A 32 -3.781 -5.713 -18.311 1.00 5.92 H new ATOM 496 N ILE A 33 -4.721 -5.441 -14.582 1.00 2.31 N ATOM 497 CA ILE A 33 -5.975 -5.876 -13.889 1.00 1.32 C ATOM 498 C ILE A 33 -6.640 -4.656 -13.244 1.00 1.77 C ATOM 499 O ILE A 33 -6.009 -3.636 -13.039 1.00 2.73 O ATOM 500 CB ILE A 33 -5.653 -6.904 -12.791 1.00 1.75 C ATOM 501 CG1 ILE A 33 -4.557 -7.881 -13.254 1.00 2.24 C ATOM 502 CG2 ILE A 33 -6.914 -7.687 -12.440 1.00 2.70 C ATOM 503 CD1 ILE A 33 -5.000 -8.612 -14.527 1.00 2.32 C ATOM 0 H ILE A 33 -3.880 -5.463 -14.006 1.00 2.31 H new ATOM 0 HA ILE A 33 -6.642 -6.332 -14.621 1.00 1.32 H new ATOM 0 HB ILE A 33 -5.291 -6.368 -11.914 1.00 1.75 H new ATOM 0 HG12 ILE A 33 -3.631 -7.337 -13.442 1.00 2.24 H new ATOM 0 HG13 ILE A 33 -4.348 -8.604 -12.465 1.00 2.24 H new ATOM 0 HG21 ILE A 33 -6.685 -8.415 -11.662 1.00 2.70 H new ATOM 0 HG22 ILE A 33 -7.680 -7.000 -12.080 1.00 2.70 H new ATOM 0 HG23 ILE A 33 -7.279 -8.206 -13.327 1.00 2.70 H new ATOM 0 HD11 ILE A 33 -4.216 -9.300 -14.843 1.00 2.32 H new ATOM 0 HD12 ILE A 33 -5.914 -9.171 -14.326 1.00 2.32 H new ATOM 0 HD13 ILE A 33 -5.186 -7.885 -15.318 1.00 2.32 H new ATOM 515 N HIS A 34 -7.904 -4.758 -12.915 1.00 1.65 N ATOM 516 CA HIS A 34 -8.607 -3.607 -12.272 1.00 2.09 C ATOM 517 C HIS A 34 -8.010 -3.375 -10.880 1.00 1.81 C ATOM 518 O HIS A 34 -7.741 -2.255 -10.489 1.00 2.26 O ATOM 519 CB HIS A 34 -10.103 -3.913 -12.155 1.00 2.67 C ATOM 520 CG HIS A 34 -10.305 -5.217 -11.432 1.00 2.52 C ATOM 521 ND1 HIS A 34 -10.337 -6.434 -12.095 1.00 2.98 N ATOM 522 CD2 HIS A 34 -10.494 -5.509 -10.103 1.00 3.21 C ATOM 523 CE1 HIS A 34 -10.537 -7.392 -11.171 1.00 3.08 C ATOM 524 NE2 HIS A 34 -10.641 -6.883 -9.942 1.00 3.32 N ATOM 0 H HIS A 34 -8.478 -5.588 -13.064 1.00 1.65 H new ATOM 0 HA HIS A 34 -8.479 -2.711 -12.879 1.00 2.09 H new ATOM 0 HB2 HIS A 34 -10.607 -3.108 -11.619 1.00 2.67 H new ATOM 0 HB3 HIS A 34 -10.551 -3.964 -13.147 1.00 2.67 H new ATOM 0 HD1 HIS A 34 -10.229 -6.577 -13.099 1.00 2.98 H new ATOM 0 HD2 HIS A 34 -10.524 -4.782 -9.305 1.00 3.21 H new ATOM 0 HE1 HIS A 34 -10.605 -8.446 -11.397 1.00 3.08 H new ATOM 532 N LYS A 35 -7.785 -4.433 -10.142 1.00 1.36 N ATOM 533 CA LYS A 35 -7.186 -4.293 -8.780 1.00 1.15 C ATOM 534 C LYS A 35 -5.660 -4.143 -8.898 1.00 0.96 C ATOM 535 O LYS A 35 -4.996 -3.730 -7.966 1.00 1.00 O ATOM 536 CB LYS A 35 -7.512 -5.540 -7.954 1.00 1.25 C ATOM 537 CG LYS A 35 -8.803 -5.310 -7.166 1.00 2.02 C ATOM 538 CD LYS A 35 -9.592 -6.621 -7.074 1.00 2.37 C ATOM 539 CE LYS A 35 -9.309 -7.297 -5.731 1.00 2.55 C ATOM 540 NZ LYS A 35 -10.273 -6.796 -4.711 1.00 3.43 N ATOM 0 H LYS A 35 -7.991 -5.391 -10.426 1.00 1.36 H new ATOM 0 HA LYS A 35 -7.598 -3.410 -8.292 1.00 1.15 H new ATOM 0 HB2 LYS A 35 -7.623 -6.404 -8.609 1.00 1.25 H new ATOM 0 HB3 LYS A 35 -6.692 -5.761 -7.271 1.00 1.25 H new ATOM 0 HG2 LYS A 35 -8.570 -4.944 -6.166 1.00 2.02 H new ATOM 0 HG3 LYS A 35 -9.407 -4.544 -7.653 1.00 2.02 H new ATOM 0 HD2 LYS A 35 -10.659 -6.423 -7.175 1.00 2.37 H new ATOM 0 HD3 LYS A 35 -9.312 -7.284 -7.893 1.00 2.37 H new ATOM 0 HE2 LYS A 35 -9.397 -8.379 -5.830 1.00 2.55 H new ATOM 0 HE3 LYS A 35 -8.287 -7.088 -5.415 1.00 2.55 H new ATOM 0 HZ1 LYS A 35 -10.082 -7.255 -3.798 1.00 3.43 H new ATOM 0 HZ2 LYS A 35 -10.168 -5.766 -4.610 1.00 3.43 H new ATOM 0 HZ3 LYS A 35 -11.244 -7.017 -5.013 1.00 3.43 H new ATOM 554 N TYR A 36 -5.101 -4.474 -10.039 1.00 0.89 N ATOM 555 CA TYR A 36 -3.628 -4.351 -10.238 1.00 0.83 C ATOM 556 C TYR A 36 -3.233 -2.870 -10.170 1.00 0.93 C ATOM 557 O TYR A 36 -2.133 -2.530 -9.774 1.00 1.13 O ATOM 558 CB TYR A 36 -3.288 -4.941 -11.616 1.00 0.89 C ATOM 559 CG TYR A 36 -1.831 -4.744 -11.958 1.00 1.03 C ATOM 560 CD1 TYR A 36 -0.830 -5.127 -11.059 1.00 2.04 C ATOM 561 CD2 TYR A 36 -1.490 -4.182 -13.189 1.00 1.97 C ATOM 562 CE1 TYR A 36 0.515 -4.943 -11.397 1.00 2.28 C ATOM 563 CE2 TYR A 36 -0.149 -3.996 -13.527 1.00 2.05 C ATOM 564 CZ TYR A 36 0.856 -4.377 -12.632 1.00 1.57 C ATOM 565 OH TYR A 36 2.183 -4.195 -12.964 1.00 1.89 O ATOM 0 H TYR A 36 -5.612 -4.828 -10.848 1.00 0.89 H new ATOM 0 HA TYR A 36 -3.080 -4.888 -9.464 1.00 0.83 H new ATOM 0 HB2 TYR A 36 -3.524 -6.005 -11.626 1.00 0.89 H new ATOM 0 HB3 TYR A 36 -3.909 -4.470 -12.378 1.00 0.89 H new ATOM 0 HD1 TYR A 36 -1.095 -5.563 -10.107 1.00 2.04 H new ATOM 0 HD2 TYR A 36 -2.266 -3.890 -13.882 1.00 1.97 H new ATOM 0 HE1 TYR A 36 1.291 -5.237 -10.706 1.00 2.28 H new ATOM 0 HE2 TYR A 36 0.113 -3.558 -14.479 1.00 2.05 H new ATOM 0 HH TYR A 36 2.245 -3.792 -13.855 1.00 1.89 H new ATOM 575 N ASN A 37 -4.125 -1.989 -10.551 1.00 0.87 N ATOM 576 CA ASN A 37 -3.813 -0.528 -10.511 1.00 1.01 C ATOM 577 C ASN A 37 -4.031 0.021 -9.092 1.00 0.99 C ATOM 578 O ASN A 37 -3.588 1.107 -8.771 1.00 1.10 O ATOM 579 CB ASN A 37 -4.730 0.213 -11.487 1.00 1.23 C ATOM 580 CG ASN A 37 -4.131 0.159 -12.894 1.00 2.43 C ATOM 581 OD1 ASN A 37 -4.518 -0.664 -13.700 1.00 3.40 O ATOM 582 ND2 ASN A 37 -3.195 1.006 -13.224 1.00 3.50 N ATOM 0 H ASN A 37 -5.059 -2.221 -10.889 1.00 0.87 H new ATOM 0 HA ASN A 37 -2.771 -0.379 -10.795 1.00 1.01 H new ATOM 0 HB2 ASN A 37 -5.722 -0.239 -11.485 1.00 1.23 H new ATOM 0 HB3 ASN A 37 -4.852 1.249 -11.172 1.00 1.23 H new ATOM 0 HD21 ASN A 37 -2.788 0.978 -14.159 1.00 3.50 H new ATOM 0 HD22 ASN A 37 -2.870 1.697 -12.547 1.00 3.50 H new ATOM 589 N ALA A 38 -4.714 -0.711 -8.245 1.00 0.93 N ATOM 590 CA ALA A 38 -4.964 -0.229 -6.853 1.00 1.02 C ATOM 591 C ALA A 38 -3.658 -0.230 -6.054 1.00 0.82 C ATOM 592 O ALA A 38 -3.442 0.608 -5.199 1.00 0.82 O ATOM 593 CB ALA A 38 -5.968 -1.162 -6.173 1.00 1.13 C ATOM 0 H ALA A 38 -5.110 -1.626 -8.461 1.00 0.93 H new ATOM 0 HA ALA A 38 -5.360 0.786 -6.891 1.00 1.02 H new ATOM 0 HB1 ALA A 38 -6.155 -0.816 -5.156 1.00 1.13 H new ATOM 0 HB2 ALA A 38 -6.902 -1.162 -6.734 1.00 1.13 H new ATOM 0 HB3 ALA A 38 -5.563 -2.173 -6.143 1.00 1.13 H new ATOM 599 N TYR A 39 -2.792 -1.173 -6.319 1.00 0.71 N ATOM 600 CA TYR A 39 -1.494 -1.251 -5.567 1.00 0.61 C ATOM 601 C TYR A 39 -0.482 -0.287 -6.186 1.00 0.56 C ATOM 602 O TYR A 39 0.447 0.149 -5.534 1.00 0.52 O ATOM 603 CB TYR A 39 -0.913 -2.676 -5.623 1.00 0.70 C ATOM 604 CG TYR A 39 -2.022 -3.700 -5.687 1.00 0.76 C ATOM 605 CD1 TYR A 39 -2.980 -3.755 -4.670 1.00 1.50 C ATOM 606 CD2 TYR A 39 -2.096 -4.576 -6.773 1.00 1.84 C ATOM 607 CE1 TYR A 39 -4.015 -4.691 -4.739 1.00 1.55 C ATOM 608 CE2 TYR A 39 -3.129 -5.514 -6.842 1.00 1.88 C ATOM 609 CZ TYR A 39 -4.092 -5.573 -5.825 1.00 0.94 C ATOM 610 OH TYR A 39 -5.113 -6.498 -5.893 1.00 1.05 O ATOM 0 H TYR A 39 -2.924 -1.897 -7.025 1.00 0.71 H new ATOM 0 HA TYR A 39 -1.687 -0.983 -4.528 1.00 0.61 H new ATOM 0 HB2 TYR A 39 -0.267 -2.777 -6.495 1.00 0.70 H new ATOM 0 HB3 TYR A 39 -0.294 -2.857 -4.744 1.00 0.70 H new ATOM 0 HD1 TYR A 39 -2.920 -3.075 -3.833 1.00 1.50 H new ATOM 0 HD2 TYR A 39 -1.356 -4.528 -7.558 1.00 1.84 H new ATOM 0 HE1 TYR A 39 -4.756 -4.735 -3.955 1.00 1.55 H new ATOM 0 HE2 TYR A 39 -3.186 -6.194 -7.679 1.00 1.88 H new ATOM 0 HH TYR A 39 -5.065 -6.976 -6.747 1.00 1.05 H new ATOM 620 N ARG A 40 -0.649 0.036 -7.441 1.00 0.66 N ATOM 621 CA ARG A 40 0.300 0.963 -8.114 1.00 0.72 C ATOM 622 C ARG A 40 0.068 2.392 -7.608 1.00 0.72 C ATOM 623 O ARG A 40 0.993 3.080 -7.215 1.00 0.73 O ATOM 624 CB ARG A 40 0.057 0.896 -9.622 1.00 0.89 C ATOM 625 CG ARG A 40 1.092 1.757 -10.352 1.00 1.08 C ATOM 626 CD ARG A 40 2.450 1.047 -10.362 1.00 1.16 C ATOM 627 NE ARG A 40 3.520 1.982 -9.868 1.00 2.27 N ATOM 628 CZ ARG A 40 3.701 3.180 -10.385 1.00 2.72 C ATOM 629 NH1 ARG A 40 3.095 3.550 -11.488 1.00 3.00 N ATOM 630 NH2 ARG A 40 4.549 3.995 -9.820 1.00 4.14 N ATOM 0 H ARG A 40 -1.408 -0.306 -8.030 1.00 0.66 H new ATOM 0 HA ARG A 40 1.328 0.676 -7.893 1.00 0.72 H new ATOM 0 HB2 ARG A 40 0.122 -0.137 -9.965 1.00 0.89 H new ATOM 0 HB3 ARG A 40 -0.949 1.246 -9.854 1.00 0.89 H new ATOM 0 HG2 ARG A 40 0.764 1.947 -11.374 1.00 1.08 H new ATOM 0 HG3 ARG A 40 1.182 2.726 -9.861 1.00 1.08 H new ATOM 0 HD2 ARG A 40 2.411 0.159 -9.731 1.00 1.16 H new ATOM 0 HD3 ARG A 40 2.687 0.710 -11.371 1.00 1.16 H new ATOM 0 HE ARG A 40 4.126 1.678 -9.106 1.00 2.27 H new ATOM 0 HH11 ARG A 40 2.467 2.904 -11.966 1.00 3.00 H new ATOM 0 HH12 ARG A 40 3.252 4.484 -11.868 1.00 3.00 H new ATOM 0 HH21 ARG A 40 5.062 3.701 -8.989 1.00 4.14 H new ATOM 0 HH22 ARG A 40 4.699 4.926 -10.210 1.00 4.14 H new ATOM 644 N LYS A 41 -1.162 2.836 -7.614 1.00 0.84 N ATOM 645 CA LYS A 41 -1.470 4.216 -7.139 1.00 0.88 C ATOM 646 C LYS A 41 -1.322 4.282 -5.617 1.00 0.71 C ATOM 647 O LYS A 41 -0.845 5.264 -5.077 1.00 0.62 O ATOM 648 CB LYS A 41 -2.906 4.581 -7.531 1.00 1.10 C ATOM 649 CG LYS A 41 -3.161 6.070 -7.248 1.00 1.68 C ATOM 650 CD LYS A 41 -3.736 6.744 -8.498 1.00 2.13 C ATOM 651 CE LYS A 41 -2.590 7.235 -9.385 1.00 3.56 C ATOM 652 NZ LYS A 41 -3.052 7.307 -10.799 1.00 4.23 N ATOM 0 H LYS A 41 -1.970 2.299 -7.929 1.00 0.84 H new ATOM 0 HA LYS A 41 -0.777 4.920 -7.599 1.00 0.88 H new ATOM 0 HB2 LYS A 41 -3.069 4.369 -8.588 1.00 1.10 H new ATOM 0 HB3 LYS A 41 -3.612 3.969 -6.970 1.00 1.10 H new ATOM 0 HG2 LYS A 41 -3.854 6.178 -6.414 1.00 1.68 H new ATOM 0 HG3 LYS A 41 -2.232 6.558 -6.955 1.00 1.68 H new ATOM 0 HD2 LYS A 41 -4.361 6.041 -9.049 1.00 2.13 H new ATOM 0 HD3 LYS A 41 -4.373 7.581 -8.212 1.00 2.13 H new ATOM 0 HE2 LYS A 41 -2.252 8.216 -9.051 1.00 3.56 H new ATOM 0 HE3 LYS A 41 -1.738 6.560 -9.304 1.00 3.56 H new ATOM 0 HZ1 LYS A 41 -2.273 7.641 -11.402 1.00 4.23 H new ATOM 0 HZ2 LYS A 41 -3.354 6.363 -11.114 1.00 4.23 H new ATOM 0 HZ3 LYS A 41 -3.852 7.968 -10.870 1.00 4.23 H new ATOM 666 N ALA A 42 -1.726 3.248 -4.920 1.00 0.71 N ATOM 667 CA ALA A 42 -1.608 3.252 -3.431 1.00 0.64 C ATOM 668 C ALA A 42 -0.134 3.352 -3.037 1.00 0.50 C ATOM 669 O ALA A 42 0.222 4.054 -2.115 1.00 0.62 O ATOM 670 CB ALA A 42 -2.197 1.961 -2.856 1.00 0.75 C ATOM 0 H ALA A 42 -2.132 2.402 -5.319 1.00 0.71 H new ATOM 0 HA ALA A 42 -2.156 4.106 -3.033 1.00 0.64 H new ATOM 0 HB1 ALA A 42 -2.107 1.972 -1.770 1.00 0.75 H new ATOM 0 HB2 ALA A 42 -3.249 1.886 -3.132 1.00 0.75 H new ATOM 0 HB3 ALA A 42 -1.655 1.104 -3.256 1.00 0.75 H new ATOM 676 N ALA A 43 0.722 2.651 -3.734 1.00 0.48 N ATOM 677 CA ALA A 43 2.179 2.693 -3.411 1.00 0.47 C ATOM 678 C ALA A 43 2.737 4.085 -3.714 1.00 0.48 C ATOM 679 O ALA A 43 3.717 4.506 -3.128 1.00 0.54 O ATOM 680 CB ALA A 43 2.914 1.654 -4.259 1.00 0.62 C ATOM 0 H ALA A 43 0.473 2.048 -4.518 1.00 0.48 H new ATOM 0 HA ALA A 43 2.322 2.472 -2.353 1.00 0.47 H new ATOM 0 HB1 ALA A 43 3.978 1.681 -4.026 1.00 0.62 H new ATOM 0 HB2 ALA A 43 2.520 0.661 -4.040 1.00 0.62 H new ATOM 0 HB3 ALA A 43 2.768 1.878 -5.316 1.00 0.62 H new ATOM 686 N SER A 44 2.126 4.799 -4.626 1.00 0.53 N ATOM 687 CA SER A 44 2.625 6.163 -4.969 1.00 0.61 C ATOM 688 C SER A 44 2.234 7.162 -3.873 1.00 0.50 C ATOM 689 O SER A 44 2.863 8.192 -3.717 1.00 0.62 O ATOM 690 CB SER A 44 2.016 6.605 -6.303 1.00 0.77 C ATOM 691 OG SER A 44 0.656 6.969 -6.103 1.00 2.04 O ATOM 0 H SER A 44 1.303 4.495 -5.147 1.00 0.53 H new ATOM 0 HA SER A 44 3.712 6.134 -5.050 1.00 0.61 H new ATOM 0 HB2 SER A 44 2.574 7.449 -6.708 1.00 0.77 H new ATOM 0 HB3 SER A 44 2.085 5.798 -7.032 1.00 0.77 H new ATOM 0 HG SER A 44 0.112 6.160 -6.006 1.00 2.04 H new ATOM 697 N VAL A 45 1.196 6.876 -3.120 1.00 0.42 N ATOM 698 CA VAL A 45 0.768 7.825 -2.045 1.00 0.48 C ATOM 699 C VAL A 45 1.472 7.488 -0.720 1.00 0.51 C ATOM 700 O VAL A 45 1.733 8.371 0.074 1.00 0.65 O ATOM 701 CB VAL A 45 -0.762 7.758 -1.875 1.00 0.57 C ATOM 702 CG1 VAL A 45 -1.189 6.330 -1.537 1.00 0.55 C ATOM 703 CG2 VAL A 45 -1.213 8.702 -0.748 1.00 0.72 C ATOM 0 H VAL A 45 0.631 6.031 -3.204 1.00 0.42 H new ATOM 0 HA VAL A 45 1.050 8.838 -2.332 1.00 0.48 H new ATOM 0 HB VAL A 45 -1.228 8.065 -2.811 1.00 0.57 H new ATOM 0 HG11 VAL A 45 -2.272 6.292 -1.419 1.00 0.55 H new ATOM 0 HG12 VAL A 45 -0.889 5.660 -2.343 1.00 0.55 H new ATOM 0 HG13 VAL A 45 -0.712 6.018 -0.608 1.00 0.55 H new ATOM 0 HG21 VAL A 45 -2.296 8.646 -0.638 1.00 0.72 H new ATOM 0 HG22 VAL A 45 -0.737 8.406 0.187 1.00 0.72 H new ATOM 0 HG23 VAL A 45 -0.926 9.725 -0.993 1.00 0.72 H new ATOM 713 N ILE A 46 1.781 6.233 -0.467 1.00 0.56 N ATOM 714 CA ILE A 46 2.469 5.893 0.828 1.00 0.71 C ATOM 715 C ILE A 46 3.995 5.923 0.631 1.00 0.58 C ATOM 716 O ILE A 46 4.742 5.970 1.591 1.00 0.71 O ATOM 717 CB ILE A 46 2.047 4.506 1.413 1.00 1.11 C ATOM 718 CG1 ILE A 46 1.054 3.769 0.479 1.00 1.04 C ATOM 719 CG2 ILE A 46 1.398 4.742 2.792 1.00 2.91 C ATOM 720 CD1 ILE A 46 0.534 2.462 1.100 1.00 1.71 C ATOM 0 H ILE A 46 1.592 5.444 -1.086 1.00 0.56 H new ATOM 0 HA ILE A 46 2.158 6.648 1.550 1.00 0.71 H new ATOM 0 HB ILE A 46 2.931 3.875 1.505 1.00 1.11 H new ATOM 0 HG12 ILE A 46 0.212 4.424 0.257 1.00 1.04 H new ATOM 0 HG13 ILE A 46 1.545 3.549 -0.469 1.00 1.04 H new ATOM 0 HG21 ILE A 46 1.095 3.786 3.220 1.00 2.91 H new ATOM 0 HG22 ILE A 46 2.116 5.225 3.454 1.00 2.91 H new ATOM 0 HG23 ILE A 46 0.523 5.382 2.678 1.00 2.91 H new ATOM 0 HD11 ILE A 46 -0.158 1.981 0.409 1.00 1.71 H new ATOM 0 HD12 ILE A 46 1.372 1.794 1.297 1.00 1.71 H new ATOM 0 HD13 ILE A 46 0.019 2.683 2.035 1.00 1.71 H new ATOM 732 N ALA A 47 4.465 5.896 -0.597 1.00 0.71 N ATOM 733 CA ALA A 47 5.940 5.924 -0.838 1.00 0.65 C ATOM 734 C ALA A 47 6.479 7.326 -0.534 1.00 0.61 C ATOM 735 O ALA A 47 7.428 7.482 0.210 1.00 0.71 O ATOM 736 CB ALA A 47 6.228 5.556 -2.291 1.00 0.82 C ATOM 0 H ALA A 47 3.890 5.856 -1.438 1.00 0.71 H new ATOM 0 HA ALA A 47 6.432 5.202 -0.185 1.00 0.65 H new ATOM 0 HB1 ALA A 47 7.304 5.577 -2.465 1.00 0.82 H new ATOM 0 HB2 ALA A 47 5.847 4.556 -2.495 1.00 0.82 H new ATOM 0 HB3 ALA A 47 5.740 6.272 -2.951 1.00 0.82 H new ATOM 742 N LYS A 48 5.863 8.348 -1.080 1.00 0.60 N ATOM 743 CA LYS A 48 6.324 9.741 -0.789 1.00 0.68 C ATOM 744 C LYS A 48 6.018 10.037 0.682 1.00 0.70 C ATOM 745 O LYS A 48 6.736 10.749 1.355 1.00 0.82 O ATOM 746 CB LYS A 48 5.575 10.730 -1.685 1.00 0.81 C ATOM 747 CG LYS A 48 5.778 10.346 -3.152 1.00 1.44 C ATOM 748 CD LYS A 48 5.049 11.348 -4.050 1.00 1.74 C ATOM 749 CE LYS A 48 6.022 12.446 -4.485 1.00 2.25 C ATOM 750 NZ LYS A 48 5.264 13.548 -5.144 1.00 3.05 N ATOM 0 H LYS A 48 5.065 8.277 -1.711 1.00 0.60 H new ATOM 0 HA LYS A 48 7.392 9.839 -0.982 1.00 0.68 H new ATOM 0 HB2 LYS A 48 4.513 10.726 -1.441 1.00 0.81 H new ATOM 0 HB3 LYS A 48 5.938 11.743 -1.510 1.00 0.81 H new ATOM 0 HG2 LYS A 48 6.841 10.334 -3.392 1.00 1.44 H new ATOM 0 HG3 LYS A 48 5.400 9.340 -3.331 1.00 1.44 H new ATOM 0 HD2 LYS A 48 4.643 10.840 -4.925 1.00 1.74 H new ATOM 0 HD3 LYS A 48 4.206 11.785 -3.515 1.00 1.74 H new ATOM 0 HE2 LYS A 48 6.565 12.829 -3.621 1.00 2.25 H new ATOM 0 HE3 LYS A 48 6.764 12.039 -5.172 1.00 2.25 H new ATOM 0 HZ1 LYS A 48 5.924 14.295 -5.440 1.00 3.05 H new ATOM 0 HZ2 LYS A 48 4.765 13.176 -5.978 1.00 3.05 H new ATOM 0 HZ3 LYS A 48 4.573 13.943 -4.475 1.00 3.05 H new ATOM 764 N TYR A 49 4.962 9.448 1.186 1.00 0.69 N ATOM 765 CA TYR A 49 4.567 9.610 2.622 1.00 0.80 C ATOM 766 C TYR A 49 5.799 9.319 3.510 1.00 0.86 C ATOM 767 O TYR A 49 6.755 8.751 3.019 1.00 1.04 O ATOM 768 CB TYR A 49 3.456 8.567 2.865 1.00 1.00 C ATOM 769 CG TYR A 49 2.414 9.019 3.866 1.00 0.83 C ATOM 770 CD1 TYR A 49 2.063 10.369 3.997 1.00 1.96 C ATOM 771 CD2 TYR A 49 1.798 8.059 4.681 1.00 1.49 C ATOM 772 CE1 TYR A 49 1.113 10.750 4.937 1.00 2.23 C ATOM 773 CE2 TYR A 49 0.842 8.449 5.623 1.00 1.51 C ATOM 774 CZ TYR A 49 0.502 9.796 5.755 1.00 1.38 C ATOM 775 OH TYR A 49 -0.440 10.186 6.683 1.00 1.82 O ATOM 0 H TYR A 49 4.340 8.845 0.648 1.00 0.69 H new ATOM 0 HA TYR A 49 4.215 10.615 2.856 1.00 0.80 H new ATOM 0 HB2 TYR A 49 2.966 8.342 1.918 1.00 1.00 H new ATOM 0 HB3 TYR A 49 3.909 7.640 3.217 1.00 1.00 H new ATOM 0 HD1 TYR A 49 2.530 11.113 3.368 1.00 1.96 H new ATOM 0 HD2 TYR A 49 2.063 7.017 4.581 1.00 1.49 H new ATOM 0 HE1 TYR A 49 0.845 11.791 5.036 1.00 2.23 H new ATOM 0 HE2 TYR A 49 0.367 7.708 6.249 1.00 1.51 H new ATOM 0 HH TYR A 49 -0.068 10.096 7.585 1.00 1.82 H new ATOM 785 N PRO A 50 5.780 9.703 4.785 1.00 0.94 N ATOM 786 CA PRO A 50 6.935 9.449 5.662 1.00 1.09 C ATOM 787 C PRO A 50 7.244 7.950 5.719 1.00 1.08 C ATOM 788 O PRO A 50 8.327 7.564 6.116 1.00 1.35 O ATOM 789 CB PRO A 50 6.529 9.997 7.035 1.00 1.20 C ATOM 790 CG PRO A 50 5.203 10.767 6.843 1.00 1.25 C ATOM 791 CD PRO A 50 4.660 10.395 5.457 1.00 1.11 C ATOM 0 HA PRO A 50 7.844 9.930 5.301 1.00 1.09 H new ATOM 0 HB2 PRO A 50 6.403 9.185 7.752 1.00 1.20 H new ATOM 0 HB3 PRO A 50 7.303 10.655 7.431 1.00 1.20 H new ATOM 0 HG2 PRO A 50 4.487 10.501 7.621 1.00 1.25 H new ATOM 0 HG3 PRO A 50 5.368 11.842 6.916 1.00 1.25 H new ATOM 0 HD2 PRO A 50 3.786 9.749 5.535 1.00 1.11 H new ATOM 0 HD3 PRO A 50 4.353 11.281 4.902 1.00 1.11 H new ATOM 799 N HIS A 51 6.317 7.095 5.306 1.00 0.98 N ATOM 800 CA HIS A 51 6.593 5.618 5.315 1.00 1.28 C ATOM 801 C HIS A 51 6.618 5.101 6.752 1.00 1.25 C ATOM 802 O HIS A 51 6.706 5.865 7.692 1.00 1.82 O ATOM 803 CB HIS A 51 7.948 5.334 4.641 1.00 1.90 C ATOM 804 CG HIS A 51 8.007 3.917 4.150 1.00 1.58 C ATOM 805 ND1 HIS A 51 8.845 2.974 4.724 1.00 2.79 N ATOM 806 CD2 HIS A 51 7.370 3.274 3.120 1.00 2.78 C ATOM 807 CE1 HIS A 51 8.694 1.827 4.039 1.00 4.06 C ATOM 808 NE2 HIS A 51 7.807 1.955 3.051 1.00 4.16 N ATOM 0 H HIS A 51 5.392 7.360 4.968 1.00 0.98 H new ATOM 0 HA HIS A 51 5.803 5.108 4.764 1.00 1.28 H new ATOM 0 HB2 HIS A 51 8.096 6.020 3.807 1.00 1.90 H new ATOM 0 HB3 HIS A 51 8.757 5.513 5.349 1.00 1.90 H new ATOM 0 HD1 HIS A 51 9.464 3.123 5.521 1.00 2.79 H new ATOM 0 HD2 HIS A 51 6.640 3.723 2.463 1.00 2.78 H new ATOM 0 HE1 HIS A 51 9.226 0.914 4.261 1.00 4.06 H new ATOM 816 N LYS A 52 6.537 3.797 6.914 1.00 1.17 N ATOM 817 CA LYS A 52 6.545 3.148 8.276 1.00 1.29 C ATOM 818 C LYS A 52 5.706 3.948 9.285 1.00 1.45 C ATOM 819 O LYS A 52 6.232 4.681 10.101 1.00 2.42 O ATOM 820 CB LYS A 52 7.986 2.999 8.794 1.00 1.74 C ATOM 821 CG LYS A 52 8.752 4.320 8.666 1.00 2.90 C ATOM 822 CD LYS A 52 10.126 4.178 9.325 1.00 3.68 C ATOM 823 CE LYS A 52 11.082 5.223 8.744 1.00 5.26 C ATOM 824 NZ LYS A 52 12.469 4.678 8.738 1.00 6.36 N ATOM 0 H LYS A 52 6.464 3.137 6.140 1.00 1.17 H new ATOM 0 HA LYS A 52 6.099 2.159 8.171 1.00 1.29 H new ATOM 0 HB2 LYS A 52 7.971 2.682 9.837 1.00 1.74 H new ATOM 0 HB3 LYS A 52 8.500 2.220 8.232 1.00 1.74 H new ATOM 0 HG2 LYS A 52 8.866 4.586 7.615 1.00 2.90 H new ATOM 0 HG3 LYS A 52 8.191 5.126 9.140 1.00 2.90 H new ATOM 0 HD2 LYS A 52 10.039 4.309 10.404 1.00 3.68 H new ATOM 0 HD3 LYS A 52 10.520 3.176 9.157 1.00 3.68 H new ATOM 0 HE2 LYS A 52 10.779 5.486 7.731 1.00 5.26 H new ATOM 0 HE3 LYS A 52 11.042 6.137 9.336 1.00 5.26 H new ATOM 0 HZ1 LYS A 52 13.119 5.387 8.343 1.00 6.36 H new ATOM 0 HZ2 LYS A 52 12.756 4.449 9.711 1.00 6.36 H new ATOM 0 HZ3 LYS A 52 12.501 3.817 8.155 1.00 6.36 H new ATOM 838 N ILE A 53 4.405 3.808 9.229 1.00 1.26 N ATOM 839 CA ILE A 53 3.527 4.557 10.177 1.00 1.50 C ATOM 840 C ILE A 53 3.281 3.709 11.430 1.00 1.65 C ATOM 841 O ILE A 53 2.976 2.533 11.349 1.00 1.63 O ATOM 842 CB ILE A 53 2.194 4.898 9.492 1.00 1.55 C ATOM 843 CG1 ILE A 53 1.473 3.614 9.058 1.00 1.74 C ATOM 844 CG2 ILE A 53 2.467 5.761 8.259 1.00 1.91 C ATOM 845 CD1 ILE A 53 0.088 3.969 8.509 1.00 2.08 C ATOM 0 H ILE A 53 3.914 3.207 8.567 1.00 1.26 H new ATOM 0 HA ILE A 53 4.017 5.485 10.470 1.00 1.50 H new ATOM 0 HB ILE A 53 1.563 5.439 10.197 1.00 1.55 H new ATOM 0 HG12 ILE A 53 2.056 3.096 8.297 1.00 1.74 H new ATOM 0 HG13 ILE A 53 1.377 2.934 9.904 1.00 1.74 H new ATOM 0 HG21 ILE A 53 1.524 6.005 7.770 1.00 1.91 H new ATOM 0 HG22 ILE A 53 2.967 6.681 8.562 1.00 1.91 H new ATOM 0 HG23 ILE A 53 3.104 5.213 7.565 1.00 1.91 H new ATOM 0 HD11 ILE A 53 -0.425 3.058 8.200 1.00 2.08 H new ATOM 0 HD12 ILE A 53 -0.493 4.469 9.284 1.00 2.08 H new ATOM 0 HD13 ILE A 53 0.196 4.633 7.651 1.00 2.08 H new ATOM 857 N LYS A 54 3.425 4.299 12.591 1.00 2.06 N ATOM 858 CA LYS A 54 3.210 3.540 13.861 1.00 2.30 C ATOM 859 C LYS A 54 1.753 3.673 14.325 1.00 2.39 C ATOM 860 O LYS A 54 1.456 3.493 15.491 1.00 3.14 O ATOM 861 CB LYS A 54 4.139 4.092 14.944 1.00 3.04 C ATOM 862 CG LYS A 54 5.522 3.454 14.801 1.00 4.12 C ATOM 863 CD LYS A 54 6.524 4.203 15.684 1.00 4.94 C ATOM 864 CE LYS A 54 6.359 3.758 17.139 1.00 5.18 C ATOM 865 NZ LYS A 54 5.484 4.726 17.859 1.00 4.70 N ATOM 0 H LYS A 54 3.683 5.278 12.714 1.00 2.06 H new ATOM 0 HA LYS A 54 3.429 2.487 13.684 1.00 2.30 H new ATOM 0 HB2 LYS A 54 4.215 5.176 14.855 1.00 3.04 H new ATOM 0 HB3 LYS A 54 3.730 3.881 15.932 1.00 3.04 H new ATOM 0 HG2 LYS A 54 5.481 2.404 15.089 1.00 4.12 H new ATOM 0 HG3 LYS A 54 5.843 3.486 13.760 1.00 4.12 H new ATOM 0 HD2 LYS A 54 7.541 4.005 15.346 1.00 4.94 H new ATOM 0 HD3 LYS A 54 6.364 5.278 15.602 1.00 4.94 H new ATOM 0 HE2 LYS A 54 5.924 2.759 17.178 1.00 5.18 H new ATOM 0 HE3 LYS A 54 7.333 3.700 17.625 1.00 5.18 H new ATOM 0 HZ1 LYS A 54 6.063 5.312 18.494 1.00 4.70 H new ATOM 0 HZ2 LYS A 54 5.000 5.336 17.170 1.00 4.70 H new ATOM 0 HZ3 LYS A 54 4.777 4.206 18.417 1.00 4.70 H new ATOM 879 N SER A 55 0.843 3.990 13.434 1.00 2.16 N ATOM 880 CA SER A 55 -0.585 4.136 13.840 1.00 2.38 C ATOM 881 C SER A 55 -1.470 3.271 12.938 1.00 2.06 C ATOM 882 O SER A 55 -2.075 2.314 13.383 1.00 2.84 O ATOM 883 CB SER A 55 -1.005 5.602 13.711 1.00 2.82 C ATOM 884 OG SER A 55 0.130 6.435 13.908 1.00 4.31 O ATOM 0 H SER A 55 1.031 4.153 12.445 1.00 2.16 H new ATOM 0 HA SER A 55 -0.700 3.813 14.875 1.00 2.38 H new ATOM 0 HB2 SER A 55 -1.437 5.783 12.727 1.00 2.82 H new ATOM 0 HB3 SER A 55 -1.775 5.838 14.445 1.00 2.82 H new ATOM 0 HG SER A 55 -0.135 7.375 13.824 1.00 4.31 H new ATOM 890 N GLY A 56 -1.552 3.606 11.676 1.00 2.28 N ATOM 891 CA GLY A 56 -2.400 2.811 10.738 1.00 2.03 C ATOM 892 C GLY A 56 -3.514 3.702 10.185 1.00 1.69 C ATOM 893 O GLY A 56 -3.885 3.601 9.030 1.00 1.73 O ATOM 0 H GLY A 56 -1.067 4.398 11.254 1.00 2.28 H new ATOM 0 HA2 GLY A 56 -1.792 2.421 9.922 1.00 2.03 H new ATOM 0 HA3 GLY A 56 -2.828 1.953 11.255 1.00 2.03 H new ATOM 897 N ALA A 57 -4.048 4.574 11.002 1.00 1.54 N ATOM 898 CA ALA A 57 -5.138 5.482 10.537 1.00 1.41 C ATOM 899 C ALA A 57 -4.623 6.364 9.394 1.00 1.09 C ATOM 900 O ALA A 57 -5.387 6.830 8.568 1.00 1.11 O ATOM 901 CB ALA A 57 -5.594 6.369 11.698 1.00 1.53 C ATOM 0 H ALA A 57 -3.774 4.696 11.977 1.00 1.54 H new ATOM 0 HA ALA A 57 -5.978 4.884 10.182 1.00 1.41 H new ATOM 0 HB1 ALA A 57 -6.390 7.032 11.359 1.00 1.53 H new ATOM 0 HB2 ALA A 57 -5.965 5.743 12.510 1.00 1.53 H new ATOM 0 HB3 ALA A 57 -4.753 6.964 12.053 1.00 1.53 H new ATOM 907 N GLU A 58 -3.335 6.596 9.341 1.00 0.97 N ATOM 908 CA GLU A 58 -2.762 7.447 8.257 1.00 0.76 C ATOM 909 C GLU A 58 -3.038 6.800 6.897 1.00 0.69 C ATOM 910 O GLU A 58 -3.504 7.446 5.978 1.00 0.73 O ATOM 911 CB GLU A 58 -1.252 7.578 8.463 1.00 0.95 C ATOM 912 CG GLU A 58 -0.973 8.121 9.867 1.00 1.57 C ATOM 913 CD GLU A 58 0.421 8.750 9.903 1.00 2.22 C ATOM 914 OE1 GLU A 58 0.524 9.933 9.625 1.00 3.11 O ATOM 915 OE2 GLU A 58 1.364 8.037 10.211 1.00 3.05 O ATOM 0 H GLU A 58 -2.654 6.230 10.006 1.00 0.97 H new ATOM 0 HA GLU A 58 -3.223 8.435 8.287 1.00 0.76 H new ATOM 0 HB2 GLU A 58 -0.771 6.608 8.335 1.00 0.95 H new ATOM 0 HB3 GLU A 58 -0.828 8.246 7.713 1.00 0.95 H new ATOM 0 HG2 GLU A 58 -1.725 8.862 10.138 1.00 1.57 H new ATOM 0 HG3 GLU A 58 -1.040 7.317 10.599 1.00 1.57 H new ATOM 922 N ALA A 59 -2.755 5.530 6.765 1.00 0.95 N ATOM 923 CA ALA A 59 -3.000 4.833 5.466 1.00 1.03 C ATOM 924 C ALA A 59 -4.491 4.892 5.104 1.00 1.27 C ATOM 925 O ALA A 59 -4.862 4.694 3.962 1.00 1.52 O ATOM 926 CB ALA A 59 -2.565 3.371 5.585 1.00 1.45 C ATOM 0 H ALA A 59 -2.364 4.944 7.502 1.00 0.95 H new ATOM 0 HA ALA A 59 -2.425 5.329 4.684 1.00 1.03 H new ATOM 0 HB1 ALA A 59 -2.743 2.860 4.639 1.00 1.45 H new ATOM 0 HB2 ALA A 59 -1.503 3.326 5.828 1.00 1.45 H new ATOM 0 HB3 ALA A 59 -3.139 2.884 6.373 1.00 1.45 H new ATOM 932 N LYS A 60 -5.347 5.151 6.063 1.00 1.36 N ATOM 933 CA LYS A 60 -6.810 5.209 5.774 1.00 1.75 C ATOM 934 C LYS A 60 -7.172 6.550 5.124 1.00 1.68 C ATOM 935 O LYS A 60 -8.054 6.617 4.289 1.00 2.08 O ATOM 936 CB LYS A 60 -7.589 5.055 7.081 1.00 2.00 C ATOM 937 CG LYS A 60 -9.081 4.913 6.774 1.00 1.79 C ATOM 938 CD LYS A 60 -9.894 5.281 8.017 1.00 2.11 C ATOM 939 CE LYS A 60 -11.349 4.855 7.821 1.00 2.48 C ATOM 940 NZ LYS A 60 -12.133 6.001 7.279 1.00 3.01 N ATOM 0 H LYS A 60 -5.092 5.325 7.035 1.00 1.36 H new ATOM 0 HA LYS A 60 -7.068 4.402 5.088 1.00 1.75 H new ATOM 0 HB2 LYS A 60 -7.235 4.181 7.627 1.00 2.00 H new ATOM 0 HB3 LYS A 60 -7.420 5.921 7.721 1.00 2.00 H new ATOM 0 HG2 LYS A 60 -9.355 5.561 5.942 1.00 1.79 H new ATOM 0 HG3 LYS A 60 -9.305 3.891 6.469 1.00 1.79 H new ATOM 0 HD2 LYS A 60 -9.476 4.791 8.896 1.00 2.11 H new ATOM 0 HD3 LYS A 60 -9.839 6.355 8.195 1.00 2.11 H new ATOM 0 HE2 LYS A 60 -11.402 4.008 7.137 1.00 2.48 H new ATOM 0 HE3 LYS A 60 -11.774 4.526 8.769 1.00 2.48 H new ATOM 0 HZ1 LYS A 60 -13.123 5.712 7.145 1.00 3.01 H new ATOM 0 HZ2 LYS A 60 -12.092 6.797 7.947 1.00 3.01 H new ATOM 0 HZ3 LYS A 60 -11.732 6.295 6.366 1.00 3.01 H new ATOM 954 N LYS A 61 -6.514 7.617 5.509 1.00 1.35 N ATOM 955 CA LYS A 61 -6.843 8.951 4.919 1.00 1.59 C ATOM 956 C LYS A 61 -6.183 9.116 3.542 1.00 1.51 C ATOM 957 O LYS A 61 -6.580 9.964 2.764 1.00 1.70 O ATOM 958 CB LYS A 61 -6.372 10.070 5.860 1.00 1.59 C ATOM 959 CG LYS A 61 -4.852 10.013 6.043 1.00 1.71 C ATOM 960 CD LYS A 61 -4.360 11.345 6.616 1.00 1.67 C ATOM 961 CE LYS A 61 -2.907 11.586 6.195 1.00 2.02 C ATOM 962 NZ LYS A 61 -2.135 12.108 7.358 1.00 2.85 N ATOM 0 H LYS A 61 -5.767 7.621 6.203 1.00 1.35 H new ATOM 0 HA LYS A 61 -7.924 9.015 4.794 1.00 1.59 H new ATOM 0 HB2 LYS A 61 -6.659 11.040 5.454 1.00 1.59 H new ATOM 0 HB3 LYS A 61 -6.865 9.971 6.827 1.00 1.59 H new ATOM 0 HG2 LYS A 61 -4.585 9.195 6.713 1.00 1.71 H new ATOM 0 HG3 LYS A 61 -4.367 9.814 5.088 1.00 1.71 H new ATOM 0 HD2 LYS A 61 -4.991 12.160 6.261 1.00 1.67 H new ATOM 0 HD3 LYS A 61 -4.436 11.334 7.703 1.00 1.67 H new ATOM 0 HE2 LYS A 61 -2.462 10.658 5.836 1.00 2.02 H new ATOM 0 HE3 LYS A 61 -2.869 12.298 5.370 1.00 2.02 H new ATOM 0 HZ1 LYS A 61 -1.952 13.123 7.226 1.00 2.85 H new ATOM 0 HZ2 LYS A 61 -2.683 11.966 8.230 1.00 2.85 H new ATOM 0 HZ3 LYS A 61 -1.231 11.599 7.431 1.00 2.85 H new ATOM 976 N LEU A 62 -5.183 8.322 3.231 1.00 1.29 N ATOM 977 CA LEU A 62 -4.510 8.452 1.900 1.00 1.28 C ATOM 978 C LEU A 62 -5.549 8.241 0.772 1.00 1.47 C ATOM 979 O LEU A 62 -6.272 7.266 0.804 1.00 1.68 O ATOM 980 CB LEU A 62 -3.410 7.393 1.766 1.00 1.18 C ATOM 981 CG LEU A 62 -2.390 7.545 2.897 1.00 1.09 C ATOM 982 CD1 LEU A 62 -1.329 6.452 2.770 1.00 1.09 C ATOM 983 CD2 LEU A 62 -1.711 8.916 2.811 1.00 1.18 C ATOM 0 H LEU A 62 -4.807 7.594 3.839 1.00 1.29 H new ATOM 0 HA LEU A 62 -4.071 9.447 1.821 1.00 1.28 H new ATOM 0 HB2 LEU A 62 -3.849 6.396 1.794 1.00 1.18 H new ATOM 0 HB3 LEU A 62 -2.912 7.495 0.802 1.00 1.18 H new ATOM 0 HG LEU A 62 -2.903 7.457 3.855 1.00 1.09 H new ATOM 0 HD11 LEU A 62 -0.600 6.557 3.574 1.00 1.09 H new ATOM 0 HD12 LEU A 62 -1.805 5.474 2.837 1.00 1.09 H new ATOM 0 HD13 LEU A 62 -0.824 6.545 1.808 1.00 1.09 H new ATOM 0 HD21 LEU A 62 -0.987 9.015 3.620 1.00 1.18 H new ATOM 0 HD22 LEU A 62 -1.200 9.009 1.853 1.00 1.18 H new ATOM 0 HD23 LEU A 62 -2.463 9.700 2.899 1.00 1.18 H new ATOM 995 N PRO A 63 -5.609 9.144 -0.199 1.00 1.53 N ATOM 996 CA PRO A 63 -6.574 9.007 -1.308 1.00 1.77 C ATOM 997 C PRO A 63 -6.282 7.737 -2.115 1.00 1.98 C ATOM 998 O PRO A 63 -7.164 7.172 -2.734 1.00 3.30 O ATOM 999 CB PRO A 63 -6.364 10.258 -2.175 1.00 1.89 C ATOM 1000 CG PRO A 63 -5.219 11.087 -1.542 1.00 1.84 C ATOM 1001 CD PRO A 63 -4.751 10.349 -0.281 1.00 1.56 C ATOM 0 HA PRO A 63 -7.601 8.925 -0.952 1.00 1.77 H new ATOM 0 HB2 PRO A 63 -6.111 9.976 -3.197 1.00 1.89 H new ATOM 0 HB3 PRO A 63 -7.280 10.847 -2.224 1.00 1.89 H new ATOM 0 HG2 PRO A 63 -4.395 11.201 -2.246 1.00 1.84 H new ATOM 0 HG3 PRO A 63 -5.566 12.090 -1.292 1.00 1.84 H new ATOM 0 HD2 PRO A 63 -3.697 10.079 -0.350 1.00 1.56 H new ATOM 0 HD3 PRO A 63 -4.862 10.973 0.605 1.00 1.56 H new ATOM 1009 N GLY A 64 -5.051 7.291 -2.119 1.00 1.84 N ATOM 1010 CA GLY A 64 -4.695 6.064 -2.891 1.00 2.19 C ATOM 1011 C GLY A 64 -4.987 4.817 -2.052 1.00 1.94 C ATOM 1012 O GLY A 64 -5.494 3.831 -2.552 1.00 2.12 O ATOM 0 H GLY A 64 -4.276 7.726 -1.619 1.00 1.84 H new ATOM 0 HA2 GLY A 64 -5.265 6.030 -3.819 1.00 2.19 H new ATOM 0 HA3 GLY A 64 -3.640 6.090 -3.165 1.00 2.19 H new ATOM 1016 N VAL A 65 -4.664 4.852 -0.785 1.00 1.81 N ATOM 1017 CA VAL A 65 -4.918 3.663 0.091 1.00 1.85 C ATOM 1018 C VAL A 65 -6.058 3.989 1.060 1.00 1.92 C ATOM 1019 O VAL A 65 -6.024 4.982 1.760 1.00 2.46 O ATOM 1020 CB VAL A 65 -3.651 3.262 0.903 1.00 2.02 C ATOM 1021 CG1 VAL A 65 -3.285 1.809 0.589 1.00 1.97 C ATOM 1022 CG2 VAL A 65 -2.447 4.155 0.559 1.00 2.22 C ATOM 0 H VAL A 65 -4.236 5.651 -0.317 1.00 1.81 H new ATOM 0 HA VAL A 65 -5.186 2.822 -0.549 1.00 1.85 H new ATOM 0 HB VAL A 65 -3.883 3.386 1.961 1.00 2.02 H new ATOM 0 HG11 VAL A 65 -2.398 1.526 1.156 1.00 1.97 H new ATOM 0 HG12 VAL A 65 -4.114 1.157 0.864 1.00 1.97 H new ATOM 0 HG13 VAL A 65 -3.081 1.707 -0.477 1.00 1.97 H new ATOM 0 HG21 VAL A 65 -1.583 3.843 1.146 1.00 2.22 H new ATOM 0 HG22 VAL A 65 -2.217 4.062 -0.502 1.00 2.22 H new ATOM 0 HG23 VAL A 65 -2.687 5.193 0.789 1.00 2.22 H new ATOM 1032 N GLY A 66 -7.065 3.154 1.101 1.00 1.82 N ATOM 1033 CA GLY A 66 -8.215 3.404 2.020 1.00 2.13 C ATOM 1034 C GLY A 66 -9.470 2.730 1.462 1.00 1.54 C ATOM 1035 O GLY A 66 -10.343 2.317 2.202 1.00 2.64 O ATOM 0 H GLY A 66 -7.140 2.308 0.536 1.00 1.82 H new ATOM 0 HA2 GLY A 66 -7.992 3.015 3.013 1.00 2.13 H new ATOM 0 HA3 GLY A 66 -8.382 4.476 2.127 1.00 2.13 H new ATOM 1039 N THR A 67 -9.564 2.616 0.161 1.00 1.71 N ATOM 1040 CA THR A 67 -10.759 1.971 -0.456 1.00 2.52 C ATOM 1041 C THR A 67 -10.803 0.493 -0.062 1.00 2.14 C ATOM 1042 O THR A 67 -11.862 -0.097 0.042 1.00 3.12 O ATOM 1043 CB THR A 67 -10.673 2.092 -1.979 1.00 3.59 C ATOM 1044 OG1 THR A 67 -10.490 3.455 -2.335 1.00 4.18 O ATOM 1045 CG2 THR A 67 -11.964 1.567 -2.609 1.00 4.43 C ATOM 0 H THR A 67 -8.861 2.944 -0.501 1.00 1.71 H new ATOM 0 HA THR A 67 -11.663 2.467 -0.102 1.00 2.52 H new ATOM 0 HB THR A 67 -9.830 1.505 -2.343 1.00 3.59 H new ATOM 0 HG1 THR A 67 -10.433 3.534 -3.310 1.00 4.18 H new ATOM 0 HG21 THR A 67 -11.901 1.654 -3.694 1.00 4.43 H new ATOM 0 HG22 THR A 67 -12.103 0.521 -2.336 1.00 4.43 H new ATOM 0 HG23 THR A 67 -12.810 2.152 -2.247 1.00 4.43 H new ATOM 1053 N LYS A 68 -9.659 -0.109 0.155 1.00 1.68 N ATOM 1054 CA LYS A 68 -9.627 -1.551 0.541 1.00 1.45 C ATOM 1055 C LYS A 68 -8.181 -1.978 0.812 1.00 1.16 C ATOM 1056 O LYS A 68 -7.912 -2.738 1.723 1.00 1.36 O ATOM 1057 CB LYS A 68 -10.213 -2.396 -0.598 1.00 1.51 C ATOM 1058 CG LYS A 68 -11.179 -3.439 -0.026 1.00 2.03 C ATOM 1059 CD LYS A 68 -10.408 -4.713 0.323 1.00 2.45 C ATOM 1060 CE LYS A 68 -11.255 -5.583 1.254 1.00 3.68 C ATOM 1061 NZ LYS A 68 -10.420 -6.692 1.796 1.00 4.97 N ATOM 0 H LYS A 68 -8.745 0.338 0.081 1.00 1.68 H new ATOM 0 HA LYS A 68 -10.219 -1.700 1.444 1.00 1.45 H new ATOM 0 HB2 LYS A 68 -10.735 -1.754 -1.308 1.00 1.51 H new ATOM 0 HB3 LYS A 68 -9.411 -2.891 -1.146 1.00 1.51 H new ATOM 0 HG2 LYS A 68 -11.672 -3.045 0.863 1.00 2.03 H new ATOM 0 HG3 LYS A 68 -11.961 -3.662 -0.752 1.00 2.03 H new ATOM 0 HD2 LYS A 68 -10.165 -5.264 -0.585 1.00 2.45 H new ATOM 0 HD3 LYS A 68 -9.464 -4.459 0.804 1.00 2.45 H new ATOM 0 HE2 LYS A 68 -11.652 -4.980 2.071 1.00 3.68 H new ATOM 0 HE3 LYS A 68 -12.110 -5.988 0.712 1.00 3.68 H new ATOM 0 HZ1 LYS A 68 -11.021 -7.521 1.981 1.00 4.97 H new ATOM 0 HZ2 LYS A 68 -9.686 -6.944 1.104 1.00 4.97 H new ATOM 0 HZ3 LYS A 68 -9.970 -6.386 2.682 1.00 4.97 H new ATOM 1075 N ILE A 69 -7.252 -1.495 0.026 1.00 0.85 N ATOM 1076 CA ILE A 69 -5.820 -1.869 0.231 1.00 0.70 C ATOM 1077 C ILE A 69 -5.340 -1.373 1.604 1.00 0.64 C ATOM 1078 O ILE A 69 -4.327 -1.823 2.104 1.00 0.65 O ATOM 1079 CB ILE A 69 -4.962 -1.240 -0.873 1.00 0.61 C ATOM 1080 CG1 ILE A 69 -5.475 -1.700 -2.240 1.00 0.71 C ATOM 1081 CG2 ILE A 69 -3.502 -1.678 -0.709 1.00 0.89 C ATOM 1082 CD1 ILE A 69 -4.715 -0.965 -3.346 1.00 1.92 C ATOM 0 H ILE A 69 -7.424 -0.856 -0.750 1.00 0.85 H new ATOM 0 HA ILE A 69 -5.725 -2.954 0.191 1.00 0.70 H new ATOM 0 HB ILE A 69 -5.025 -0.154 -0.801 1.00 0.61 H new ATOM 0 HG12 ILE A 69 -5.342 -2.777 -2.347 1.00 0.71 H new ATOM 0 HG13 ILE A 69 -6.543 -1.501 -2.325 1.00 0.71 H new ATOM 0 HG21 ILE A 69 -2.897 -1.228 -1.496 1.00 0.89 H new ATOM 0 HG22 ILE A 69 -3.132 -1.354 0.264 1.00 0.89 H new ATOM 0 HG23 ILE A 69 -3.438 -2.764 -0.778 1.00 0.89 H new ATOM 0 HD11 ILE A 69 -5.081 -1.293 -4.319 1.00 1.92 H new ATOM 0 HD12 ILE A 69 -4.871 0.109 -3.243 1.00 1.92 H new ATOM 0 HD13 ILE A 69 -3.651 -1.186 -3.265 1.00 1.92 H new ATOM 1094 N ALA A 70 -6.050 -0.451 2.216 1.00 0.63 N ATOM 1095 CA ALA A 70 -5.626 0.072 3.555 1.00 0.64 C ATOM 1096 C ALA A 70 -5.445 -1.088 4.542 1.00 0.64 C ATOM 1097 O ALA A 70 -4.669 -1.003 5.476 1.00 0.66 O ATOM 1098 CB ALA A 70 -6.693 1.031 4.086 1.00 0.72 C ATOM 0 H ALA A 70 -6.906 -0.039 1.844 1.00 0.63 H new ATOM 0 HA ALA A 70 -4.677 0.598 3.448 1.00 0.64 H new ATOM 0 HB1 ALA A 70 -6.387 1.413 5.060 1.00 0.72 H new ATOM 0 HB2 ALA A 70 -6.813 1.863 3.392 1.00 0.72 H new ATOM 0 HB3 ALA A 70 -7.641 0.502 4.185 1.00 0.72 H new ATOM 1104 N GLU A 71 -6.153 -2.170 4.337 1.00 0.68 N ATOM 1105 CA GLU A 71 -6.023 -3.340 5.254 1.00 0.74 C ATOM 1106 C GLU A 71 -4.629 -3.950 5.101 1.00 0.67 C ATOM 1107 O GLU A 71 -3.987 -4.303 6.072 1.00 0.69 O ATOM 1108 CB GLU A 71 -7.080 -4.388 4.899 1.00 0.87 C ATOM 1109 CG GLU A 71 -8.345 -4.138 5.724 1.00 1.64 C ATOM 1110 CD GLU A 71 -9.456 -5.080 5.256 1.00 2.18 C ATOM 1111 OE1 GLU A 71 -9.530 -5.330 4.064 1.00 3.38 O ATOM 1112 OE2 GLU A 71 -10.213 -5.535 6.097 1.00 2.73 O ATOM 0 H GLU A 71 -6.817 -2.292 3.572 1.00 0.68 H new ATOM 0 HA GLU A 71 -6.168 -3.014 6.284 1.00 0.74 H new ATOM 0 HB2 GLU A 71 -7.312 -4.340 3.835 1.00 0.87 H new ATOM 0 HB3 GLU A 71 -6.696 -5.389 5.097 1.00 0.87 H new ATOM 0 HG2 GLU A 71 -8.139 -4.299 6.782 1.00 1.64 H new ATOM 0 HG3 GLU A 71 -8.663 -3.101 5.615 1.00 1.64 H new ATOM 1119 N LYS A 72 -4.157 -4.073 3.886 1.00 0.67 N ATOM 1120 CA LYS A 72 -2.804 -4.658 3.655 1.00 0.69 C ATOM 1121 C LYS A 72 -1.737 -3.725 4.234 1.00 0.64 C ATOM 1122 O LYS A 72 -0.681 -4.164 4.654 1.00 0.73 O ATOM 1123 CB LYS A 72 -2.573 -4.828 2.150 1.00 0.78 C ATOM 1124 CG LYS A 72 -2.924 -6.260 1.737 1.00 1.19 C ATOM 1125 CD LYS A 72 -4.443 -6.400 1.621 1.00 2.27 C ATOM 1126 CE LYS A 72 -4.797 -7.852 1.298 1.00 2.82 C ATOM 1127 NZ LYS A 72 -4.198 -8.750 2.325 1.00 3.20 N ATOM 0 H LYS A 72 -4.654 -3.792 3.041 1.00 0.67 H new ATOM 0 HA LYS A 72 -2.739 -5.629 4.145 1.00 0.69 H new ATOM 0 HB2 LYS A 72 -3.186 -4.118 1.595 1.00 0.78 H new ATOM 0 HB3 LYS A 72 -1.533 -4.612 1.904 1.00 0.78 H new ATOM 0 HG2 LYS A 72 -2.452 -6.501 0.784 1.00 1.19 H new ATOM 0 HG3 LYS A 72 -2.538 -6.967 2.472 1.00 1.19 H new ATOM 0 HD2 LYS A 72 -4.919 -6.097 2.553 1.00 2.27 H new ATOM 0 HD3 LYS A 72 -4.821 -5.740 0.841 1.00 2.27 H new ATOM 0 HE2 LYS A 72 -5.880 -7.977 1.277 1.00 2.82 H new ATOM 0 HE3 LYS A 72 -4.426 -8.116 0.308 1.00 2.82 H new ATOM 0 HZ1 LYS A 72 -4.705 -9.658 2.330 1.00 3.20 H new ATOM 0 HZ2 LYS A 72 -3.196 -8.914 2.101 1.00 3.20 H new ATOM 0 HZ3 LYS A 72 -4.275 -8.305 3.262 1.00 3.20 H new ATOM 1141 N ILE A 73 -2.004 -2.444 4.262 1.00 0.60 N ATOM 1142 CA ILE A 73 -1.007 -1.480 4.818 1.00 0.62 C ATOM 1143 C ILE A 73 -0.847 -1.747 6.316 1.00 0.58 C ATOM 1144 O ILE A 73 0.254 -1.901 6.820 1.00 0.67 O ATOM 1145 CB ILE A 73 -1.490 -0.038 4.590 1.00 0.68 C ATOM 1146 CG1 ILE A 73 -1.898 0.166 3.120 1.00 0.92 C ATOM 1147 CG2 ILE A 73 -0.363 0.939 4.933 1.00 0.80 C ATOM 1148 CD1 ILE A 73 -0.723 -0.158 2.187 1.00 1.05 C ATOM 0 H ILE A 73 -2.870 -2.024 3.924 1.00 0.60 H new ATOM 0 HA ILE A 73 -0.048 -1.609 4.316 1.00 0.62 H new ATOM 0 HB ILE A 73 -2.353 0.145 5.230 1.00 0.68 H new ATOM 0 HG12 ILE A 73 -2.748 -0.473 2.880 1.00 0.92 H new ATOM 0 HG13 ILE A 73 -2.220 1.196 2.965 1.00 0.92 H new ATOM 0 HG21 ILE A 73 -0.706 1.961 4.771 1.00 0.80 H new ATOM 0 HG22 ILE A 73 -0.078 0.813 5.977 1.00 0.80 H new ATOM 0 HG23 ILE A 73 0.498 0.740 4.295 1.00 0.80 H new ATOM 0 HD11 ILE A 73 -1.029 -0.009 1.151 1.00 1.05 H new ATOM 0 HD12 ILE A 73 0.116 0.499 2.416 1.00 1.05 H new ATOM 0 HD13 ILE A 73 -0.420 -1.195 2.330 1.00 1.05 H new ATOM 1160 N ASP A 74 -1.943 -1.823 7.029 1.00 0.68 N ATOM 1161 CA ASP A 74 -1.871 -2.102 8.492 1.00 0.76 C ATOM 1162 C ASP A 74 -1.278 -3.498 8.705 1.00 0.78 C ATOM 1163 O ASP A 74 -0.671 -3.772 9.724 1.00 0.87 O ATOM 1164 CB ASP A 74 -3.276 -2.044 9.095 1.00 0.85 C ATOM 1165 CG ASP A 74 -3.529 -0.651 9.673 1.00 1.80 C ATOM 1166 OD1 ASP A 74 -2.975 -0.354 10.717 1.00 2.42 O ATOM 1167 OD2 ASP A 74 -4.273 0.098 9.059 1.00 3.03 O ATOM 0 H ASP A 74 -2.886 -1.703 6.658 1.00 0.68 H new ATOM 0 HA ASP A 74 -1.242 -1.357 8.978 1.00 0.76 H new ATOM 0 HB2 ASP A 74 -4.020 -2.273 8.332 1.00 0.85 H new ATOM 0 HB3 ASP A 74 -3.379 -2.797 9.876 1.00 0.85 H new ATOM 1172 N GLU A 75 -1.438 -4.380 7.743 1.00 0.76 N ATOM 1173 CA GLU A 75 -0.874 -5.757 7.876 1.00 0.85 C ATOM 1174 C GLU A 75 0.642 -5.660 8.050 1.00 0.90 C ATOM 1175 O GLU A 75 1.233 -6.369 8.843 1.00 1.00 O ATOM 1176 CB GLU A 75 -1.192 -6.564 6.616 1.00 0.91 C ATOM 1177 CG GLU A 75 -1.273 -8.052 6.967 1.00 1.16 C ATOM 1178 CD GLU A 75 0.078 -8.717 6.696 1.00 2.55 C ATOM 1179 OE1 GLU A 75 1.038 -8.357 7.358 1.00 3.98 O ATOM 1180 OE2 GLU A 75 0.130 -9.576 5.831 1.00 3.32 O ATOM 0 H GLU A 75 -1.937 -4.201 6.871 1.00 0.76 H new ATOM 0 HA GLU A 75 -1.314 -6.253 8.741 1.00 0.85 H new ATOM 0 HB2 GLU A 75 -2.136 -6.229 6.186 1.00 0.91 H new ATOM 0 HB3 GLU A 75 -0.422 -6.399 5.862 1.00 0.91 H new ATOM 0 HG2 GLU A 75 -1.546 -8.174 8.015 1.00 1.16 H new ATOM 0 HG3 GLU A 75 -2.052 -8.534 6.376 1.00 1.16 H new ATOM 1187 N PHE A 76 1.271 -4.768 7.324 1.00 0.89 N ATOM 1188 CA PHE A 76 2.748 -4.595 7.450 1.00 1.01 C ATOM 1189 C PHE A 76 3.074 -4.156 8.867 1.00 0.96 C ATOM 1190 O PHE A 76 3.914 -4.729 9.535 1.00 1.06 O ATOM 1191 CB PHE A 76 3.240 -3.517 6.474 1.00 1.19 C ATOM 1192 CG PHE A 76 2.672 -3.733 5.084 1.00 1.06 C ATOM 1193 CD1 PHE A 76 2.595 -5.022 4.534 1.00 1.98 C ATOM 1194 CD2 PHE A 76 2.232 -2.631 4.341 1.00 2.22 C ATOM 1195 CE1 PHE A 76 2.079 -5.202 3.245 1.00 2.26 C ATOM 1196 CE2 PHE A 76 1.715 -2.813 3.053 1.00 2.36 C ATOM 1197 CZ PHE A 76 1.639 -4.098 2.504 1.00 1.72 C ATOM 0 H PHE A 76 0.821 -4.151 6.648 1.00 0.89 H new ATOM 0 HA PHE A 76 3.239 -5.541 7.220 1.00 1.01 H new ATOM 0 HB2 PHE A 76 2.949 -2.532 6.839 1.00 1.19 H new ATOM 0 HB3 PHE A 76 4.329 -3.532 6.431 1.00 1.19 H new ATOM 0 HD1 PHE A 76 2.933 -5.874 5.105 1.00 1.98 H new ATOM 0 HD2 PHE A 76 2.292 -1.638 4.762 1.00 2.22 H new ATOM 0 HE1 PHE A 76 2.020 -6.194 2.821 1.00 2.26 H new ATOM 0 HE2 PHE A 76 1.375 -1.961 2.483 1.00 2.36 H new ATOM 0 HZ PHE A 76 1.241 -4.238 1.510 1.00 1.72 H new ATOM 1207 N LEU A 77 2.421 -3.127 9.317 1.00 0.95 N ATOM 1208 CA LEU A 77 2.681 -2.602 10.686 1.00 1.07 C ATOM 1209 C LEU A 77 1.708 -3.225 11.695 1.00 1.12 C ATOM 1210 O LEU A 77 1.426 -2.646 12.728 1.00 1.42 O ATOM 1211 CB LEU A 77 2.524 -1.080 10.664 1.00 1.22 C ATOM 1212 CG LEU A 77 3.361 -0.496 9.511 1.00 1.11 C ATOM 1213 CD1 LEU A 77 2.585 0.624 8.826 1.00 1.79 C ATOM 1214 CD2 LEU A 77 4.677 0.046 10.059 1.00 2.23 C ATOM 0 H LEU A 77 1.710 -2.620 8.791 1.00 0.95 H new ATOM 0 HA LEU A 77 3.694 -2.864 10.993 1.00 1.07 H new ATOM 0 HB2 LEU A 77 1.475 -0.813 10.538 1.00 1.22 H new ATOM 0 HB3 LEU A 77 2.848 -0.656 11.614 1.00 1.22 H new ATOM 0 HG LEU A 77 3.570 -1.280 8.784 1.00 1.11 H new ATOM 0 HD11 LEU A 77 3.181 1.034 8.011 1.00 1.79 H new ATOM 0 HD12 LEU A 77 1.650 0.229 8.429 1.00 1.79 H new ATOM 0 HD13 LEU A 77 2.368 1.411 9.548 1.00 1.79 H new ATOM 0 HD21 LEU A 77 5.269 0.459 9.242 1.00 2.23 H new ATOM 0 HD22 LEU A 77 4.472 0.828 10.790 1.00 2.23 H new ATOM 0 HD23 LEU A 77 5.232 -0.761 10.537 1.00 2.23 H new ATOM 1226 N ALA A 78 1.194 -4.397 11.408 1.00 0.99 N ATOM 1227 CA ALA A 78 0.242 -5.053 12.352 1.00 1.11 C ATOM 1228 C ALA A 78 1.025 -5.836 13.408 1.00 1.38 C ATOM 1229 O ALA A 78 0.714 -5.789 14.583 1.00 1.81 O ATOM 1230 CB ALA A 78 -0.666 -6.012 11.577 1.00 1.13 C ATOM 0 H ALA A 78 1.394 -4.926 10.559 1.00 0.99 H new ATOM 0 HA ALA A 78 -0.365 -4.291 12.841 1.00 1.11 H new ATOM 0 HB1 ALA A 78 -1.361 -6.491 12.266 1.00 1.13 H new ATOM 0 HB2 ALA A 78 -1.226 -5.456 10.825 1.00 1.13 H new ATOM 0 HB3 ALA A 78 -0.058 -6.773 11.087 1.00 1.13 H new ATOM 1236 N THR A 79 2.038 -6.556 12.995 1.00 1.43 N ATOM 1237 CA THR A 79 2.847 -7.347 13.969 1.00 1.84 C ATOM 1238 C THR A 79 4.330 -7.243 13.607 1.00 2.32 C ATOM 1239 O THR A 79 5.096 -6.578 14.279 1.00 3.01 O ATOM 1240 CB THR A 79 2.413 -8.815 13.919 1.00 2.29 C ATOM 1241 OG1 THR A 79 1.953 -9.128 12.612 1.00 2.99 O ATOM 1242 CG2 THR A 79 1.289 -9.052 14.929 1.00 3.35 C ATOM 0 H THR A 79 2.339 -6.629 12.023 1.00 1.43 H new ATOM 0 HA THR A 79 2.690 -6.954 14.973 1.00 1.84 H new ATOM 0 HB THR A 79 3.261 -9.453 14.167 1.00 2.29 H new ATOM 0 HG1 THR A 79 1.677 -10.068 12.579 1.00 2.99 H new ATOM 0 HG21 THR A 79 0.981 -10.097 14.892 1.00 3.35 H new ATOM 0 HG22 THR A 79 1.644 -8.813 15.931 1.00 3.35 H new ATOM 0 HG23 THR A 79 0.439 -8.415 14.684 1.00 3.35 H new ATOM 1250 N GLY A 80 4.737 -7.898 12.548 1.00 3.17 N ATOM 1251 CA GLY A 80 6.169 -7.847 12.134 1.00 4.17 C ATOM 1252 C GLY A 80 6.536 -9.145 11.414 1.00 5.67 C ATOM 1253 O GLY A 80 7.257 -9.139 10.433 1.00 6.83 O ATOM 0 H GLY A 80 4.136 -8.467 11.952 1.00 3.17 H new ATOM 0 HA2 GLY A 80 6.339 -6.994 11.478 1.00 4.17 H new ATOM 0 HA3 GLY A 80 6.807 -7.710 13.007 1.00 4.17 H new ATOM 1257 N LYS A 81 6.043 -10.258 11.895 1.00 6.11 N ATOM 1258 CA LYS A 81 6.355 -11.565 11.246 1.00 7.95 C ATOM 1259 C LYS A 81 5.123 -12.060 10.484 1.00 8.58 C ATOM 1260 O LYS A 81 4.088 -11.420 10.481 1.00 8.49 O ATOM 1261 CB LYS A 81 6.737 -12.588 12.318 1.00 8.93 C ATOM 1262 CG LYS A 81 8.234 -12.474 12.619 1.00 9.69 C ATOM 1263 CD LYS A 81 8.536 -13.132 13.968 1.00 10.55 C ATOM 1264 CE LYS A 81 9.947 -13.721 13.943 1.00 12.09 C ATOM 1265 NZ LYS A 81 10.942 -12.622 13.801 1.00 12.48 N ATOM 0 H LYS A 81 5.436 -10.317 12.712 1.00 6.11 H new ATOM 0 HA LYS A 81 7.186 -11.439 10.552 1.00 7.95 H new ATOM 0 HB2 LYS A 81 6.158 -12.414 13.225 1.00 8.93 H new ATOM 0 HB3 LYS A 81 6.499 -13.595 11.976 1.00 8.93 H new ATOM 0 HG2 LYS A 81 8.812 -12.956 11.830 1.00 9.69 H new ATOM 0 HG3 LYS A 81 8.533 -11.426 12.639 1.00 9.69 H new ATOM 0 HD2 LYS A 81 8.451 -12.398 14.770 1.00 10.55 H new ATOM 0 HD3 LYS A 81 7.807 -13.916 14.174 1.00 10.55 H new ATOM 0 HE2 LYS A 81 10.135 -14.280 14.860 1.00 12.09 H new ATOM 0 HE3 LYS A 81 10.045 -14.423 13.115 1.00 12.09 H new ATOM 0 HZ1 LYS A 81 11.898 -12.995 13.970 1.00 12.48 H new ATOM 0 HZ2 LYS A 81 10.889 -12.228 12.840 1.00 12.48 H new ATOM 0 HZ3 LYS A 81 10.735 -11.875 14.494 1.00 12.48 H new ATOM 1279 N LEU A 82 5.230 -13.192 9.836 1.00 9.66 N ATOM 1280 CA LEU A 82 4.070 -13.734 9.070 1.00 10.71 C ATOM 1281 C LEU A 82 3.723 -15.131 9.586 1.00 11.60 C ATOM 1282 O LEU A 82 4.549 -15.810 10.169 1.00 11.89 O ATOM 1283 CB LEU A 82 4.433 -13.814 7.585 1.00 11.86 C ATOM 1284 CG LEU A 82 4.598 -12.402 7.023 1.00 11.88 C ATOM 1285 CD1 LEU A 82 5.157 -12.479 5.601 1.00 13.23 C ATOM 1286 CD2 LEU A 82 3.235 -11.703 6.997 1.00 12.08 C ATOM 0 H LEU A 82 6.073 -13.765 9.805 1.00 9.66 H new ATOM 0 HA LEU A 82 3.210 -13.076 9.200 1.00 10.71 H new ATOM 0 HB2 LEU A 82 5.356 -14.378 7.455 1.00 11.86 H new ATOM 0 HB3 LEU A 82 3.655 -14.346 7.038 1.00 11.86 H new ATOM 0 HG LEU A 82 5.286 -11.838 7.653 1.00 11.88 H new ATOM 0 HD11 LEU A 82 5.274 -11.472 5.201 1.00 13.23 H new ATOM 0 HD12 LEU A 82 6.126 -12.978 5.617 1.00 13.23 H new ATOM 0 HD13 LEU A 82 4.470 -13.042 4.970 1.00 13.23 H new ATOM 0 HD21 LEU A 82 3.350 -10.696 6.597 1.00 12.08 H new ATOM 0 HD22 LEU A 82 2.548 -12.268 6.366 1.00 12.08 H new ATOM 0 HD23 LEU A 82 2.835 -11.647 8.010 1.00 12.08 H new ATOM 1298 N ARG A 83 2.507 -15.565 9.374 1.00 12.40 N ATOM 1299 CA ARG A 83 2.094 -16.919 9.846 1.00 13.53 C ATOM 1300 C ARG A 83 1.365 -17.651 8.718 1.00 15.05 C ATOM 1301 O ARG A 83 1.727 -18.751 8.345 1.00 15.74 O ATOM 1302 CB ARG A 83 1.158 -16.775 11.049 1.00 13.44 C ATOM 1303 CG ARG A 83 1.084 -18.105 11.800 1.00 13.90 C ATOM 1304 CD ARG A 83 0.911 -17.838 13.296 1.00 13.69 C ATOM 1305 NE ARG A 83 1.321 -19.051 14.069 1.00 14.43 N ATOM 1306 CZ ARG A 83 1.540 -18.997 15.369 1.00 14.55 C ATOM 1307 NH1 ARG A 83 1.411 -17.877 16.041 1.00 14.06 N ATOM 1308 NH2 ARG A 83 1.896 -20.083 15.999 1.00 15.49 N ATOM 0 H ARG A 83 1.780 -15.037 8.892 1.00 12.40 H new ATOM 0 HA ARG A 83 2.977 -17.488 10.138 1.00 13.53 H new ATOM 0 HB2 ARG A 83 1.520 -15.990 11.713 1.00 13.44 H new ATOM 0 HB3 ARG A 83 0.164 -16.477 10.716 1.00 13.44 H new ATOM 0 HG2 ARG A 83 0.250 -18.699 11.427 1.00 13.90 H new ATOM 0 HG3 ARG A 83 1.991 -18.684 11.626 1.00 13.90 H new ATOM 0 HD2 ARG A 83 1.515 -16.981 13.596 1.00 13.69 H new ATOM 0 HD3 ARG A 83 -0.127 -17.588 13.514 1.00 13.69 H new ATOM 0 HE ARG A 83 1.434 -19.939 13.581 1.00 14.43 H new ATOM 0 HH11 ARG A 83 1.136 -17.022 15.559 1.00 14.06 H new ATOM 0 HH12 ARG A 83 1.586 -17.862 17.046 1.00 14.06 H new ATOM 0 HH21 ARG A 83 2.002 -20.959 15.486 1.00 15.49 H new ATOM 0 HH22 ARG A 83 2.069 -20.056 17.004 1.00 15.49 H new ATOM 1322 N LYS A 84 0.341 -17.045 8.171 1.00 15.84 N ATOM 1323 CA LYS A 84 -0.418 -17.696 7.065 1.00 17.56 C ATOM 1324 C LYS A 84 -0.857 -16.634 6.054 1.00 18.45 C ATOM 1325 O LYS A 84 -1.488 -15.655 6.406 1.00 18.64 O ATOM 1326 CB LYS A 84 -1.653 -18.398 7.635 1.00 18.31 C ATOM 1327 CG LYS A 84 -2.470 -17.403 8.463 1.00 18.30 C ATOM 1328 CD LYS A 84 -3.482 -18.163 9.324 1.00 19.12 C ATOM 1329 CE LYS A 84 -2.794 -18.709 10.582 1.00 18.95 C ATOM 1330 NZ LYS A 84 -3.370 -18.048 11.787 1.00 18.85 N ATOM 0 H LYS A 84 -0.001 -16.124 8.445 1.00 15.84 H new ATOM 0 HA LYS A 84 0.220 -18.429 6.570 1.00 17.56 H new ATOM 0 HB2 LYS A 84 -2.262 -18.800 6.825 1.00 18.31 H new ATOM 0 HB3 LYS A 84 -1.351 -19.242 8.255 1.00 18.31 H new ATOM 0 HG2 LYS A 84 -1.809 -16.812 9.097 1.00 18.30 H new ATOM 0 HG3 LYS A 84 -2.988 -16.705 7.805 1.00 18.30 H new ATOM 0 HD2 LYS A 84 -4.302 -17.502 9.605 1.00 19.12 H new ATOM 0 HD3 LYS A 84 -3.916 -18.983 8.752 1.00 19.12 H new ATOM 0 HE2 LYS A 84 -2.931 -19.789 10.645 1.00 18.95 H new ATOM 0 HE3 LYS A 84 -1.721 -18.526 10.531 1.00 18.95 H new ATOM 0 HZ1 LYS A 84 -2.905 -18.417 12.641 1.00 18.85 H new ATOM 0 HZ2 LYS A 84 -3.218 -17.021 11.726 1.00 18.85 H new ATOM 0 HZ3 LYS A 84 -4.390 -18.244 11.836 1.00 18.85 H new ATOM 1344 N LEU A 85 -0.526 -16.823 4.802 1.00 19.26 N ATOM 1345 CA LEU A 85 -0.918 -15.829 3.759 1.00 20.44 C ATOM 1346 C LEU A 85 -1.941 -16.459 2.812 1.00 21.92 C ATOM 1347 O LEU A 85 -2.824 -15.792 2.307 1.00 22.50 O ATOM 1348 CB LEU A 85 0.320 -15.407 2.966 1.00 20.56 C ATOM 1349 CG LEU A 85 1.121 -14.385 3.774 1.00 19.56 C ATOM 1350 CD1 LEU A 85 2.128 -15.114 4.667 1.00 19.01 C ATOM 1351 CD2 LEU A 85 1.870 -13.454 2.819 1.00 20.18 C ATOM 0 H LEU A 85 0.000 -17.626 4.457 1.00 19.26 H new ATOM 0 HA LEU A 85 -1.358 -14.954 4.238 1.00 20.44 H new ATOM 0 HB2 LEU A 85 0.938 -16.278 2.746 1.00 20.56 H new ATOM 0 HB3 LEU A 85 0.023 -14.977 2.009 1.00 20.56 H new ATOM 0 HG LEU A 85 0.441 -13.801 4.394 1.00 19.56 H new ATOM 0 HD11 LEU A 85 2.698 -14.385 5.242 1.00 19.01 H new ATOM 0 HD12 LEU A 85 1.596 -15.778 5.348 1.00 19.01 H new ATOM 0 HD13 LEU A 85 2.808 -15.699 4.047 1.00 19.01 H new ATOM 0 HD21 LEU A 85 2.441 -12.725 3.394 1.00 20.18 H new ATOM 0 HD22 LEU A 85 2.549 -14.039 2.198 1.00 20.18 H new ATOM 0 HD23 LEU A 85 1.154 -12.933 2.183 1.00 20.18 H new ATOM 1363 N GLU A 86 -1.826 -17.740 2.568 1.00 22.69 N ATOM 1364 CA GLU A 86 -2.787 -18.423 1.653 1.00 24.26 C ATOM 1365 C GLU A 86 -3.292 -19.710 2.312 1.00 24.64 C ATOM 1366 O GLU A 86 -3.527 -20.703 1.650 1.00 25.54 O ATOM 1367 CB GLU A 86 -2.085 -18.765 0.338 1.00 25.31 C ATOM 1368 CG GLU A 86 -1.497 -17.492 -0.274 1.00 25.67 C ATOM 1369 CD GLU A 86 -1.458 -17.629 -1.797 1.00 27.09 C ATOM 1370 OE1 GLU A 86 -0.689 -18.444 -2.280 1.00 27.57 O ATOM 1371 OE2 GLU A 86 -2.197 -16.916 -2.456 1.00 27.80 O ATOM 0 H GLU A 86 -1.105 -18.343 2.965 1.00 22.69 H new ATOM 0 HA GLU A 86 -3.630 -17.762 1.453 1.00 24.26 H new ATOM 0 HB2 GLU A 86 -1.295 -19.495 0.515 1.00 25.31 H new ATOM 0 HB3 GLU A 86 -2.791 -19.222 -0.355 1.00 25.31 H new ATOM 0 HG2 GLU A 86 -2.099 -16.628 0.009 1.00 25.67 H new ATOM 0 HG3 GLU A 86 -0.492 -17.321 0.112 1.00 25.67 H new ATOM 1378 N LYS A 87 -3.458 -19.696 3.610 1.00 24.16 N ATOM 1379 CA LYS A 87 -3.946 -20.913 4.322 1.00 24.74 C ATOM 1380 C LYS A 87 -4.879 -20.497 5.461 1.00 24.84 C ATOM 1381 O LYS A 87 -4.639 -19.455 6.047 1.00 24.39 O ATOM 1382 CB LYS A 87 -2.753 -21.682 4.894 1.00 24.38 C ATOM 1383 CG LYS A 87 -2.146 -22.567 3.805 1.00 25.30 C ATOM 1384 CD LYS A 87 -1.164 -23.555 4.438 1.00 25.36 C ATOM 1385 CE LYS A 87 0.237 -22.940 4.457 1.00 25.03 C ATOM 1386 NZ LYS A 87 1.032 -23.553 5.559 1.00 25.01 N ATOM 1387 OXT LYS A 87 -5.819 -21.229 5.727 1.00 25.55 O ATOM 0 H LYS A 87 -3.276 -18.890 4.208 1.00 24.16 H new ATOM 0 HA LYS A 87 -4.488 -21.551 3.623 1.00 24.74 H new ATOM 0 HB2 LYS A 87 -2.004 -20.985 5.270 1.00 24.38 H new ATOM 0 HB3 LYS A 87 -3.072 -22.293 5.738 1.00 24.38 H new ATOM 0 HG2 LYS A 87 -2.934 -23.107 3.280 1.00 25.30 H new ATOM 0 HG3 LYS A 87 -1.633 -21.952 3.065 1.00 25.30 H new ATOM 0 HD2 LYS A 87 -1.480 -23.799 5.452 1.00 25.36 H new ATOM 0 HD3 LYS A 87 -1.156 -24.488 3.874 1.00 25.36 H new ATOM 0 HE2 LYS A 87 0.732 -23.107 3.500 1.00 25.03 H new ATOM 0 HE3 LYS A 87 0.171 -21.861 4.598 1.00 25.03 H new ATOM 0 HZ1 LYS A 87 1.985 -23.136 5.573 1.00 25.01 H new ATOM 0 HZ2 LYS A 87 0.561 -23.372 6.469 1.00 25.01 H new ATOM 0 HZ3 LYS A 87 1.105 -24.579 5.405 1.00 25.01 H new TER 1401 LYS A 87