USER MOD reduce.3.24.130724 H: found=0, std=0, add=912, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 908 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 61 THR OG1 : rot 41:sc= -0.269 USER MOD Set 1.2: A 62 HIS : no HD1:sc= -6.04! C(o=-6.4!,f=-8.4!) USER MOD Set 1.3: A 108 MET CE :methyl -156:sc= -0.107 (180deg=-0.825) USER MOD Set 2.1: A 15 SER OG : rot 144:sc= 0.42 USER MOD Set 2.2: A 17 GLN :FLIP amide:sc= 0.391 F(o=0.094,f=0.81) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 1:sc= 1.12 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl -143:sc= -0.307 (180deg=-2.95!) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 MET CE :methyl -142:sc= -3.15 (180deg=-5.21!) USER MOD Single : A 48 LYS NZ :NH3+ 167:sc= 0.935 (180deg=0.8) USER MOD Single : A 54 ASN : amide:sc= -0.0478 X(o=-0.048,f=0) USER MOD Single : A 57 SER OG : rot 49:sc= 0.132 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN :FLIP amide:sc= -0.784 F(o=-2,f=-0.78) USER MOD Single : A 68 ASN : amide:sc= -1.91! C(o=-1.9!,f=-4.6!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.147 USER MOD Single : A 78 GLN : amide:sc= -0.0288 K(o=-0.029,f=-0.62) USER MOD Single : A 80 GLN :FLIP amide:sc= -6.43! C(o=-7.4!,f=-6.4!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot -69:sc= 1.25 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 99 CYS SG : rot 60:sc= -5.67! USER MOD Single : A 104 LYS NZ :NH3+ 178:sc= 0.705 (180deg=0.704) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0.0613 USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 HIS : no HE2:sc= -1.66 K(o=-1.7,f=-4.8) USER MOD Single : A 113 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.6!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 50:sc= 0.665 USER MOD Single : A 119 SER OG : rot 43:sc= 0.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.926 5.710 -21.480 1.00 0.00 N ATOM 2 CA GLY A 1 -43.375 5.782 -21.402 1.00 0.00 C ATOM 3 C GLY A 1 -43.834 7.195 -21.035 1.00 0.00 C ATOM 4 O GLY A 1 -44.559 7.834 -21.797 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.639 4.742 -21.730 1.00 0.00 H new ATOM 0 H2 GLY A 1 -41.584 6.371 -22.207 1.00 0.00 H new ATOM 0 H3 GLY A 1 -41.516 5.965 -20.559 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -43.809 5.492 -22.359 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -43.739 5.073 -20.658 1.00 0.00 H new ATOM 8 N SER A 2 -43.394 7.641 -19.868 1.00 0.00 N ATOM 9 CA SER A 2 -43.750 8.967 -19.391 1.00 0.00 C ATOM 10 C SER A 2 -42.570 9.589 -18.642 1.00 0.00 C ATOM 11 O SER A 2 -41.736 8.874 -18.088 1.00 0.00 O ATOM 12 CB SER A 2 -44.983 8.913 -18.486 1.00 0.00 C ATOM 13 OG SER A 2 -45.590 10.194 -18.334 1.00 0.00 O ATOM 0 H SER A 2 -42.794 7.108 -19.238 1.00 0.00 H new ATOM 0 HA SER A 2 -43.992 9.587 -20.254 1.00 0.00 H new ATOM 0 HB2 SER A 2 -45.709 8.215 -18.903 1.00 0.00 H new ATOM 0 HB3 SER A 2 -44.698 8.528 -17.507 1.00 0.00 H new ATOM 0 HG SER A 2 -46.374 10.117 -17.751 1.00 0.00 H new ATOM 19 N SER A 3 -42.537 10.913 -18.651 1.00 0.00 N ATOM 20 CA SER A 3 -41.472 11.639 -17.980 1.00 0.00 C ATOM 21 C SER A 3 -42.040 12.881 -17.289 1.00 0.00 C ATOM 22 O SER A 3 -42.218 13.921 -17.922 1.00 0.00 O ATOM 23 CB SER A 3 -40.371 12.037 -18.965 1.00 0.00 C ATOM 24 OG SER A 3 -39.276 11.125 -18.938 1.00 0.00 O ATOM 0 H SER A 3 -43.230 11.502 -19.112 1.00 0.00 H new ATOM 0 HA SER A 3 -41.031 10.983 -17.230 1.00 0.00 H new ATOM 0 HB2 SER A 3 -40.784 12.078 -19.973 1.00 0.00 H new ATOM 0 HB3 SER A 3 -40.015 13.039 -18.725 1.00 0.00 H new ATOM 0 HG SER A 3 -38.595 11.412 -19.581 1.00 0.00 H new ATOM 30 N GLY A 4 -42.309 12.731 -16.000 1.00 0.00 N ATOM 31 CA GLY A 4 -42.853 13.827 -15.217 1.00 0.00 C ATOM 32 C GLY A 4 -41.735 14.642 -14.564 1.00 0.00 C ATOM 33 O GLY A 4 -41.608 14.660 -13.341 1.00 0.00 O ATOM 0 H GLY A 4 -42.160 11.867 -15.479 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -43.453 14.474 -15.858 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -43.518 13.434 -14.448 1.00 0.00 H new ATOM 37 N SER A 5 -40.953 15.298 -15.409 1.00 0.00 N ATOM 38 CA SER A 5 -39.850 16.113 -14.929 1.00 0.00 C ATOM 39 C SER A 5 -40.242 17.592 -14.955 1.00 0.00 C ATOM 40 O SER A 5 -41.279 17.953 -15.507 1.00 0.00 O ATOM 41 CB SER A 5 -38.590 15.883 -15.766 1.00 0.00 C ATOM 42 OG SER A 5 -38.180 14.518 -15.751 1.00 0.00 O ATOM 0 H SER A 5 -41.061 15.282 -16.423 1.00 0.00 H new ATOM 0 HA SER A 5 -39.630 15.820 -13.902 1.00 0.00 H new ATOM 0 HB2 SER A 5 -38.776 16.194 -16.794 1.00 0.00 H new ATOM 0 HB3 SER A 5 -37.783 16.508 -15.385 1.00 0.00 H new ATOM 0 HG SER A 5 -37.374 14.413 -16.298 1.00 0.00 H new ATOM 48 N SER A 6 -39.391 18.407 -14.350 1.00 0.00 N ATOM 49 CA SER A 6 -39.635 19.838 -14.296 1.00 0.00 C ATOM 50 C SER A 6 -38.365 20.570 -13.858 1.00 0.00 C ATOM 51 O SER A 6 -37.961 20.481 -12.699 1.00 0.00 O ATOM 52 CB SER A 6 -40.790 20.165 -13.347 1.00 0.00 C ATOM 53 OG SER A 6 -41.832 20.884 -14.002 1.00 0.00 O ATOM 0 H SER A 6 -38.531 18.103 -13.893 1.00 0.00 H new ATOM 0 HA SER A 6 -39.914 20.174 -15.294 1.00 0.00 H new ATOM 0 HB2 SER A 6 -41.192 19.240 -12.933 1.00 0.00 H new ATOM 0 HB3 SER A 6 -40.415 20.753 -12.509 1.00 0.00 H new ATOM 0 HG SER A 6 -42.551 21.072 -13.363 1.00 0.00 H new ATOM 59 N GLY A 7 -37.770 21.277 -14.808 1.00 0.00 N ATOM 60 CA GLY A 7 -36.553 22.023 -14.534 1.00 0.00 C ATOM 61 C GLY A 7 -35.317 21.138 -14.701 1.00 0.00 C ATOM 62 O GLY A 7 -35.345 19.956 -14.360 1.00 0.00 O ATOM 0 H GLY A 7 -38.108 21.349 -15.768 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -36.487 22.877 -15.208 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -36.586 22.419 -13.519 1.00 0.00 H new ATOM 66 N THR A 8 -34.261 21.743 -15.225 1.00 0.00 N ATOM 67 CA THR A 8 -33.017 21.024 -15.441 1.00 0.00 C ATOM 68 C THR A 8 -31.882 21.673 -14.647 1.00 0.00 C ATOM 69 O THR A 8 -31.804 22.897 -14.556 1.00 0.00 O ATOM 70 CB THR A 8 -32.755 20.975 -16.948 1.00 0.00 C ATOM 71 OG1 THR A 8 -31.544 20.234 -17.065 1.00 0.00 O ATOM 72 CG2 THR A 8 -32.409 22.349 -17.527 1.00 0.00 C ATOM 0 H THR A 8 -34.241 22.723 -15.506 1.00 0.00 H new ATOM 0 HA THR A 8 -33.083 19.999 -15.075 1.00 0.00 H new ATOM 0 HB THR A 8 -33.633 20.578 -17.457 1.00 0.00 H new ATOM 0 HG1 THR A 8 -31.301 20.152 -18.011 1.00 0.00 H new ATOM 0 HG21 THR A 8 -32.232 22.258 -18.599 1.00 0.00 H new ATOM 0 HG22 THR A 8 -33.237 23.036 -17.352 1.00 0.00 H new ATOM 0 HG23 THR A 8 -31.511 22.732 -17.043 1.00 0.00 H new ATOM 80 N GLY A 9 -31.029 20.823 -14.093 1.00 0.00 N ATOM 81 CA GLY A 9 -29.901 21.298 -13.310 1.00 0.00 C ATOM 82 C GLY A 9 -28.951 22.134 -14.170 1.00 0.00 C ATOM 83 O GLY A 9 -29.358 23.135 -14.758 1.00 0.00 O ATOM 0 H GLY A 9 -31.097 19.808 -14.171 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -30.261 21.896 -12.473 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -29.363 20.449 -12.888 1.00 0.00 H new ATOM 87 N ALA A 10 -27.702 21.693 -14.215 1.00 0.00 N ATOM 88 CA ALA A 10 -26.691 22.388 -14.993 1.00 0.00 C ATOM 89 C ALA A 10 -25.614 21.392 -15.428 1.00 0.00 C ATOM 90 O ALA A 10 -24.808 20.947 -14.612 1.00 0.00 O ATOM 91 CB ALA A 10 -26.117 23.543 -14.169 1.00 0.00 C ATOM 0 H ALA A 10 -27.368 20.863 -13.725 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.128 22.816 -15.895 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -25.358 24.065 -14.753 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -26.916 24.237 -13.910 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -25.667 23.151 -13.257 1.00 0.00 H new ATOM 97 N LEU A 11 -25.635 21.071 -16.713 1.00 0.00 N ATOM 98 CA LEU A 11 -24.671 20.135 -17.267 1.00 0.00 C ATOM 99 C LEU A 11 -23.269 20.508 -16.782 1.00 0.00 C ATOM 100 O LEU A 11 -22.620 19.728 -16.087 1.00 0.00 O ATOM 101 CB LEU A 11 -24.799 20.072 -18.790 1.00 0.00 C ATOM 102 CG LEU A 11 -24.245 18.812 -19.458 1.00 0.00 C ATOM 103 CD1 LEU A 11 -25.090 18.418 -20.671 1.00 0.00 C ATOM 104 CD2 LEU A 11 -22.769 18.988 -19.821 1.00 0.00 C ATOM 0 H LEU A 11 -26.305 21.442 -17.387 1.00 0.00 H new ATOM 0 HA LEU A 11 -24.873 19.124 -16.912 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -25.854 20.163 -19.050 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -24.290 20.938 -19.214 1.00 0.00 H new ATOM 0 HG LEU A 11 -24.305 17.991 -18.743 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -24.675 17.520 -21.127 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -26.114 18.223 -20.353 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -25.084 19.230 -21.398 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -22.400 18.078 -20.294 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.661 19.825 -20.511 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -22.193 19.186 -18.917 1.00 0.00 H new ATOM 116 N MET A 12 -22.842 21.702 -17.169 1.00 0.00 N ATOM 117 CA MET A 12 -21.528 22.188 -16.783 1.00 0.00 C ATOM 118 C MET A 12 -20.444 21.161 -17.117 1.00 0.00 C ATOM 119 O MET A 12 -20.141 20.287 -16.306 1.00 0.00 O ATOM 120 CB MET A 12 -21.512 22.478 -15.281 1.00 0.00 C ATOM 121 CG MET A 12 -20.412 23.481 -14.928 1.00 0.00 C ATOM 122 SD MET A 12 -20.819 25.090 -15.585 1.00 0.00 S ATOM 123 CE MET A 12 -19.578 26.081 -14.770 1.00 0.00 C ATOM 0 H MET A 12 -23.383 22.347 -17.746 1.00 0.00 H new ATOM 0 HA MET A 12 -21.321 23.101 -17.340 1.00 0.00 H new ATOM 0 HB2 MET A 12 -22.481 22.872 -14.973 1.00 0.00 H new ATOM 0 HB3 MET A 12 -21.354 21.551 -14.730 1.00 0.00 H new ATOM 0 HG2 MET A 12 -20.296 23.540 -13.846 1.00 0.00 H new ATOM 0 HG3 MET A 12 -19.458 23.144 -15.333 1.00 0.00 H new ATOM 0 HE1 MET A 12 -19.689 27.123 -15.071 1.00 0.00 H new ATOM 0 HE2 MET A 12 -19.700 26.000 -13.690 1.00 0.00 H new ATOM 0 HE3 MET A 12 -18.587 25.726 -15.051 1.00 0.00 H new ATOM 133 N ALA A 13 -19.889 21.302 -18.312 1.00 0.00 N ATOM 134 CA ALA A 13 -18.844 20.398 -18.763 1.00 0.00 C ATOM 135 C ALA A 13 -17.551 20.700 -18.003 1.00 0.00 C ATOM 136 O ALA A 13 -16.703 21.448 -18.487 1.00 0.00 O ATOM 137 CB ALA A 13 -18.675 20.528 -20.278 1.00 0.00 C ATOM 0 H ALA A 13 -20.143 22.028 -18.982 1.00 0.00 H new ATOM 0 HA ALA A 13 -19.115 19.363 -18.553 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -17.891 19.850 -20.616 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -19.613 20.274 -20.772 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -18.400 21.553 -20.527 1.00 0.00 H new ATOM 143 N SER A 14 -17.441 20.103 -16.825 1.00 0.00 N ATOM 144 CA SER A 14 -16.265 20.298 -15.994 1.00 0.00 C ATOM 145 C SER A 14 -16.210 19.225 -14.905 1.00 0.00 C ATOM 146 O SER A 14 -16.673 19.445 -13.787 1.00 0.00 O ATOM 147 CB SER A 14 -16.262 21.693 -15.365 1.00 0.00 C ATOM 148 OG SER A 14 -15.931 22.705 -16.312 1.00 0.00 O ATOM 0 H SER A 14 -18.147 19.484 -16.426 1.00 0.00 H new ATOM 0 HA SER A 14 -15.381 20.211 -16.626 1.00 0.00 H new ATOM 0 HB2 SER A 14 -17.244 21.901 -14.940 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.547 21.718 -14.543 1.00 0.00 H new ATOM 0 HG SER A 14 -15.788 22.296 -17.191 1.00 0.00 H new ATOM 154 N SER A 15 -15.639 18.086 -15.270 1.00 0.00 N ATOM 155 CA SER A 15 -15.517 16.978 -14.338 1.00 0.00 C ATOM 156 C SER A 15 -14.043 16.616 -14.147 1.00 0.00 C ATOM 157 O SER A 15 -13.333 16.353 -15.116 1.00 0.00 O ATOM 158 CB SER A 15 -16.304 15.760 -14.825 1.00 0.00 C ATOM 159 OG SER A 15 -15.980 15.418 -16.170 1.00 0.00 O ATOM 0 H SER A 15 -15.256 17.907 -16.198 1.00 0.00 H new ATOM 0 HA SER A 15 -15.936 17.288 -13.381 1.00 0.00 H new ATOM 0 HB2 SER A 15 -16.096 14.910 -14.175 1.00 0.00 H new ATOM 0 HB3 SER A 15 -17.372 15.965 -14.750 1.00 0.00 H new ATOM 0 HG SER A 15 -15.984 14.443 -16.270 1.00 0.00 H new ATOM 165 N PRO A 16 -13.615 16.613 -12.856 1.00 0.00 N ATOM 166 CA PRO A 16 -12.238 16.288 -12.524 1.00 0.00 C ATOM 167 C PRO A 16 -11.986 14.784 -12.647 1.00 0.00 C ATOM 168 O PRO A 16 -11.878 14.084 -11.641 1.00 0.00 O ATOM 169 CB PRO A 16 -12.040 16.810 -11.110 1.00 0.00 C ATOM 170 CG PRO A 16 -13.435 16.989 -10.533 1.00 0.00 C ATOM 171 CD PRO A 16 -14.427 16.919 -11.682 1.00 0.00 C ATOM 0 HA PRO A 16 -11.521 16.745 -13.206 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.457 16.109 -10.513 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.495 17.754 -11.115 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.647 16.212 -9.798 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -13.515 17.946 -10.017 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -15.179 16.149 -11.509 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -14.959 17.863 -11.804 1.00 0.00 H new ATOM 179 N GLN A 17 -11.899 14.330 -13.889 1.00 0.00 N ATOM 180 CA GLN A 17 -11.661 12.922 -14.156 1.00 0.00 C ATOM 181 C GLN A 17 -10.520 12.758 -15.162 1.00 0.00 C ATOM 182 O GLN A 17 -10.697 12.147 -16.214 1.00 0.00 O ATOM 183 CB GLN A 17 -12.934 12.236 -14.656 1.00 0.00 C ATOM 184 CG GLN A 17 -13.571 13.028 -15.800 1.00 0.00 C ATOM 185 CD GLN A 17 -14.548 12.157 -16.592 1.00 0.00 C ATOM 186 OE1 GLN A 17 -15.828 12.404 -16.330 1.00 0.00 O flip ATOM 187 NE2 GLN A 17 -14.165 11.316 -17.389 1.00 0.00 N flip ATOM 0 H GLN A 17 -11.989 14.913 -14.721 1.00 0.00 H new ATOM 0 HA GLN A 17 -11.370 12.440 -13.223 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -12.699 11.227 -14.995 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -13.645 12.139 -13.836 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -14.095 13.896 -15.399 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -12.793 13.404 -16.464 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -13.166 11.177 -17.543 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -14.844 10.752 -17.901 1.00 0.00 H new ATOM 196 N ASP A 18 -9.372 13.315 -14.802 1.00 0.00 N ATOM 197 CA ASP A 18 -8.202 13.238 -15.660 1.00 0.00 C ATOM 198 C ASP A 18 -6.950 13.081 -14.794 1.00 0.00 C ATOM 199 O ASP A 18 -6.384 14.069 -14.329 1.00 0.00 O ATOM 200 CB ASP A 18 -8.044 14.513 -16.492 1.00 0.00 C ATOM 201 CG ASP A 18 -8.279 14.337 -17.993 1.00 0.00 C ATOM 202 OD1 ASP A 18 -9.413 13.950 -18.349 1.00 0.00 O ATOM 203 OD2 ASP A 18 -7.319 14.595 -18.752 1.00 0.00 O ATOM 0 H ASP A 18 -9.228 13.821 -13.928 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.328 12.385 -16.327 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.740 15.263 -16.116 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.039 14.906 -16.340 1.00 0.00 H new ATOM 208 N ILE A 19 -6.555 11.831 -14.604 1.00 0.00 N ATOM 209 CA ILE A 19 -5.380 11.531 -13.802 1.00 0.00 C ATOM 210 C ILE A 19 -4.148 12.156 -14.458 1.00 0.00 C ATOM 211 O ILE A 19 -4.139 12.402 -15.663 1.00 0.00 O ATOM 212 CB ILE A 19 -5.258 10.024 -13.573 1.00 0.00 C ATOM 213 CG1 ILE A 19 -6.590 9.430 -13.109 1.00 0.00 C ATOM 214 CG2 ILE A 19 -4.119 9.707 -12.602 1.00 0.00 C ATOM 215 CD1 ILE A 19 -7.323 8.754 -14.269 1.00 0.00 C ATOM 0 H ILE A 19 -7.027 11.014 -14.991 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.472 11.973 -12.810 1.00 0.00 H new ATOM 0 HB ILE A 19 -5.010 9.553 -14.524 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.412 8.705 -12.315 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -7.216 10.217 -12.688 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.054 8.629 -12.457 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.178 10.075 -13.012 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.312 10.191 -11.645 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -8.266 8.340 -13.912 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -7.521 9.487 -15.051 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.705 7.952 -14.672 1.00 0.00 H new ATOM 227 N LYS A 20 -3.136 12.395 -13.636 1.00 0.00 N ATOM 228 CA LYS A 20 -1.901 12.986 -14.122 1.00 0.00 C ATOM 229 C LYS A 20 -0.925 11.872 -14.507 1.00 0.00 C ATOM 230 O LYS A 20 -0.354 11.892 -15.597 1.00 0.00 O ATOM 231 CB LYS A 20 -1.337 13.969 -13.094 1.00 0.00 C ATOM 232 CG LYS A 20 0.181 13.821 -12.969 1.00 0.00 C ATOM 233 CD LYS A 20 0.810 15.093 -12.396 1.00 0.00 C ATOM 234 CE LYS A 20 2.337 15.029 -12.466 1.00 0.00 C ATOM 235 NZ LYS A 20 2.907 16.388 -12.602 1.00 0.00 N ATOM 0 H LYS A 20 -3.147 12.190 -12.637 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.087 13.573 -15.022 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.584 14.989 -13.388 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.804 13.795 -12.125 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.416 12.973 -12.325 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.611 13.607 -13.947 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.453 15.961 -12.950 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.495 15.224 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.728 14.552 -11.567 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.643 14.414 -13.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.944 16.326 -12.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.547 16.830 -13.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.631 16.964 -11.781 1.00 0.00 H new ATOM 249 N PHE A 21 -0.762 10.928 -13.592 1.00 0.00 N ATOM 250 CA PHE A 21 0.135 9.809 -13.822 1.00 0.00 C ATOM 251 C PHE A 21 -0.519 8.759 -14.723 1.00 0.00 C ATOM 252 O PHE A 21 0.075 8.324 -15.708 1.00 0.00 O ATOM 253 CB PHE A 21 0.428 9.182 -12.458 1.00 0.00 C ATOM 254 CG PHE A 21 0.904 10.183 -11.403 1.00 0.00 C ATOM 255 CD1 PHE A 21 2.077 10.849 -11.578 1.00 0.00 C ATOM 256 CD2 PHE A 21 0.155 10.406 -10.290 1.00 0.00 C ATOM 257 CE1 PHE A 21 2.519 11.778 -10.598 1.00 0.00 C ATOM 258 CE2 PHE A 21 0.597 11.335 -9.311 1.00 0.00 C ATOM 259 CZ PHE A 21 1.769 12.001 -9.486 1.00 0.00 C ATOM 0 H PHE A 21 -1.237 10.915 -12.689 1.00 0.00 H new ATOM 0 HA PHE A 21 1.044 10.156 -14.313 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -0.474 8.688 -12.095 1.00 0.00 H new ATOM 0 HB3 PHE A 21 1.187 8.410 -12.580 1.00 0.00 H new ATOM 0 HD1 PHE A 21 2.672 10.672 -12.462 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.776 9.877 -10.151 1.00 0.00 H new ATOM 0 HE1 PHE A 21 3.450 12.307 -10.736 1.00 0.00 H new ATOM 0 HE2 PHE A 21 0.002 11.512 -8.427 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.105 12.708 -8.741 1.00 0.00 H new ATOM 269 N GLN A 22 -1.733 8.381 -14.352 1.00 0.00 N ATOM 270 CA GLN A 22 -2.474 7.389 -15.113 1.00 0.00 C ATOM 271 C GLN A 22 -1.933 5.987 -14.827 1.00 0.00 C ATOM 272 O GLN A 22 -2.690 5.090 -14.459 1.00 0.00 O ATOM 273 CB GLN A 22 -2.426 7.700 -16.611 1.00 0.00 C ATOM 274 CG GLN A 22 -3.831 7.936 -17.168 1.00 0.00 C ATOM 275 CD GLN A 22 -3.862 7.729 -18.683 1.00 0.00 C ATOM 276 OE1 GLN A 22 -4.520 6.842 -19.201 1.00 0.00 O ATOM 277 NE2 GLN A 22 -3.116 8.595 -19.363 1.00 0.00 N ATOM 0 H GLN A 22 -2.223 8.744 -13.534 1.00 0.00 H new ATOM 0 HA GLN A 22 -3.518 7.425 -14.800 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -1.810 8.583 -16.783 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -1.954 6.873 -17.143 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.535 7.255 -16.690 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -4.155 8.949 -16.929 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -2.589 9.314 -18.867 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -3.071 8.540 -20.381 1.00 0.00 H new ATOM 286 N ASP A 23 -0.629 5.842 -15.006 1.00 0.00 N ATOM 287 CA ASP A 23 0.022 4.565 -14.772 1.00 0.00 C ATOM 288 C ASP A 23 0.477 4.489 -13.313 1.00 0.00 C ATOM 289 O ASP A 23 1.556 3.976 -13.021 1.00 0.00 O ATOM 290 CB ASP A 23 1.256 4.403 -15.661 1.00 0.00 C ATOM 291 CG ASP A 23 0.959 4.190 -17.147 1.00 0.00 C ATOM 292 OD1 ASP A 23 0.513 5.169 -17.783 1.00 0.00 O ATOM 293 OD2 ASP A 23 1.186 3.052 -17.613 1.00 0.00 O ATOM 0 H ASP A 23 -0.005 6.589 -15.311 1.00 0.00 H new ATOM 0 HA ASP A 23 -0.693 3.776 -15.002 1.00 0.00 H new ATOM 0 HB2 ASP A 23 1.881 5.290 -15.554 1.00 0.00 H new ATOM 0 HB3 ASP A 23 1.839 3.557 -15.297 1.00 0.00 H new ATOM 298 N LEU A 24 -0.368 5.008 -12.435 1.00 0.00 N ATOM 299 CA LEU A 24 -0.066 5.006 -11.014 1.00 0.00 C ATOM 300 C LEU A 24 -1.351 4.745 -10.224 1.00 0.00 C ATOM 301 O LEU A 24 -1.791 5.594 -9.450 1.00 0.00 O ATOM 302 CB LEU A 24 0.648 6.300 -10.616 1.00 0.00 C ATOM 303 CG LEU A 24 1.767 6.157 -9.582 1.00 0.00 C ATOM 304 CD1 LEU A 24 1.210 5.715 -8.228 1.00 0.00 C ATOM 305 CD2 LEU A 24 2.862 5.215 -10.087 1.00 0.00 C ATOM 0 H LEU A 24 -1.262 5.433 -12.680 1.00 0.00 H new ATOM 0 HA LEU A 24 0.627 4.200 -10.773 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.067 6.752 -11.515 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.094 6.996 -10.225 1.00 0.00 H new ATOM 0 HG LEU A 24 2.225 7.135 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.026 5.621 -7.512 1.00 0.00 H new ATOM 0 HD12 LEU A 24 0.496 6.456 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.710 4.752 -8.337 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.645 5.131 -9.334 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.435 4.231 -10.279 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.287 5.612 -11.009 1.00 0.00 H new ATOM 317 N VAL A 25 -1.915 3.567 -10.447 1.00 0.00 N ATOM 318 CA VAL A 25 -3.140 3.184 -9.766 1.00 0.00 C ATOM 319 C VAL A 25 -2.813 2.776 -8.328 1.00 0.00 C ATOM 320 O VAL A 25 -1.998 1.882 -8.103 1.00 0.00 O ATOM 321 CB VAL A 25 -3.853 2.082 -10.553 1.00 0.00 C ATOM 322 CG1 VAL A 25 -5.329 1.994 -10.158 1.00 0.00 C ATOM 323 CG2 VAL A 25 -3.700 2.298 -12.060 1.00 0.00 C ATOM 0 H VAL A 25 -1.546 2.866 -11.089 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.829 4.027 -9.716 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.382 1.132 -10.302 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.813 1.203 -10.732 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.408 1.771 -9.094 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -5.819 2.945 -10.367 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.216 1.501 -12.596 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.133 3.260 -12.335 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -2.642 2.287 -12.324 1.00 0.00 H new ATOM 333 N VAL A 26 -3.465 3.450 -7.393 1.00 0.00 N ATOM 334 CA VAL A 26 -3.254 3.169 -5.983 1.00 0.00 C ATOM 335 C VAL A 26 -4.562 2.670 -5.365 1.00 0.00 C ATOM 336 O VAL A 26 -5.604 3.307 -5.512 1.00 0.00 O ATOM 337 CB VAL A 26 -2.694 4.407 -5.280 1.00 0.00 C ATOM 338 CG1 VAL A 26 -2.623 4.194 -3.767 1.00 0.00 C ATOM 339 CG2 VAL A 26 -1.324 4.787 -5.846 1.00 0.00 C ATOM 0 H VAL A 26 -4.140 4.190 -7.584 1.00 0.00 H new ATOM 0 HA VAL A 26 -2.514 2.379 -5.858 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.376 5.236 -5.469 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -2.221 5.089 -3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -3.623 3.995 -3.380 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.974 3.346 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.949 5.670 -5.329 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.629 3.960 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.417 5.002 -6.910 1.00 0.00 H new ATOM 349 N PHE A 27 -4.464 1.536 -4.687 1.00 0.00 N ATOM 350 CA PHE A 27 -5.627 0.945 -4.046 1.00 0.00 C ATOM 351 C PHE A 27 -5.398 0.777 -2.543 1.00 0.00 C ATOM 352 O PHE A 27 -4.487 0.063 -2.126 1.00 0.00 O ATOM 353 CB PHE A 27 -5.832 -0.434 -4.677 1.00 0.00 C ATOM 354 CG PHE A 27 -6.782 -1.341 -3.892 1.00 0.00 C ATOM 355 CD1 PHE A 27 -6.303 -2.119 -2.885 1.00 0.00 C ATOM 356 CD2 PHE A 27 -8.106 -1.369 -4.202 1.00 0.00 C ATOM 357 CE1 PHE A 27 -7.185 -2.961 -2.157 1.00 0.00 C ATOM 358 CE2 PHE A 27 -8.988 -2.211 -3.475 1.00 0.00 C ATOM 359 CZ PHE A 27 -8.509 -2.989 -2.467 1.00 0.00 C ATOM 0 H PHE A 27 -3.598 1.011 -4.567 1.00 0.00 H new ATOM 0 HA PHE A 27 -6.496 1.589 -4.184 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -6.220 -0.306 -5.688 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -4.865 -0.929 -4.767 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -5.252 -2.097 -2.639 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -8.486 -0.751 -5.001 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.804 -3.579 -1.357 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -10.039 -2.234 -3.722 1.00 0.00 H new ATOM 0 HZ PHE A 27 -9.180 -3.629 -1.913 1.00 0.00 H new ATOM 369 N ILE A 28 -6.241 1.446 -1.770 1.00 0.00 N ATOM 370 CA ILE A 28 -6.142 1.380 -0.322 1.00 0.00 C ATOM 371 C ILE A 28 -6.881 0.137 0.179 1.00 0.00 C ATOM 372 O ILE A 28 -7.866 -0.288 -0.423 1.00 0.00 O ATOM 373 CB ILE A 28 -6.633 2.684 0.309 1.00 0.00 C ATOM 374 CG1 ILE A 28 -5.682 3.839 -0.010 1.00 0.00 C ATOM 375 CG2 ILE A 28 -6.848 2.518 1.815 1.00 0.00 C ATOM 376 CD1 ILE A 28 -6.229 5.164 0.527 1.00 0.00 C ATOM 0 H ILE A 28 -6.996 2.036 -2.119 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.101 1.278 -0.015 1.00 0.00 H new ATOM 0 HB ILE A 28 -7.600 2.932 -0.129 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -4.704 3.641 0.428 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.540 3.910 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -7.197 3.460 2.239 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -7.593 1.742 1.993 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -5.908 2.234 2.288 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -5.534 5.969 0.287 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.196 5.371 0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -6.347 5.097 1.609 1.00 0.00 H new ATOM 388 N LEU A 29 -6.378 -0.409 1.276 1.00 0.00 N ATOM 389 CA LEU A 29 -6.979 -1.594 1.865 1.00 0.00 C ATOM 390 C LEU A 29 -7.789 -1.191 3.099 1.00 0.00 C ATOM 391 O LEU A 29 -7.222 -0.916 4.155 1.00 0.00 O ATOM 392 CB LEU A 29 -5.910 -2.651 2.150 1.00 0.00 C ATOM 393 CG LEU A 29 -6.425 -4.025 2.586 1.00 0.00 C ATOM 394 CD1 LEU A 29 -7.132 -4.737 1.432 1.00 0.00 C ATOM 395 CD2 LEU A 29 -5.296 -4.871 3.176 1.00 0.00 C ATOM 0 H LEU A 29 -5.561 -0.053 1.773 1.00 0.00 H new ATOM 0 HA LEU A 29 -7.674 -2.057 1.164 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.306 -2.780 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.248 -2.269 2.927 1.00 0.00 H new ATOM 0 HG LEU A 29 -7.164 -3.879 3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -7.488 -5.711 1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -7.978 -4.137 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.434 -4.872 0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -5.689 -5.842 3.478 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.517 -5.011 2.427 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.877 -4.363 4.045 1.00 0.00 H new ATOM 407 N GLU A 30 -9.102 -1.168 2.923 1.00 0.00 N ATOM 408 CA GLU A 30 -9.996 -0.803 4.009 1.00 0.00 C ATOM 409 C GLU A 30 -9.549 -1.470 5.312 1.00 0.00 C ATOM 410 O GLU A 30 -9.458 -0.815 6.349 1.00 0.00 O ATOM 411 CB GLU A 30 -11.443 -1.168 3.675 1.00 0.00 C ATOM 412 CG GLU A 30 -12.386 -0.768 4.811 1.00 0.00 C ATOM 413 CD GLU A 30 -12.655 -1.951 5.744 1.00 0.00 C ATOM 414 OE1 GLU A 30 -12.566 -3.095 5.248 1.00 0.00 O ATOM 415 OE2 GLU A 30 -12.942 -1.684 6.931 1.00 0.00 O ATOM 0 H GLU A 30 -9.568 -1.396 2.045 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.950 0.278 4.143 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.745 -0.668 2.754 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.519 -2.240 3.495 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.950 0.055 5.378 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -13.327 -0.406 4.397 1.00 0.00 H new ATOM 422 N LYS A 31 -9.282 -2.764 5.215 1.00 0.00 N ATOM 423 CA LYS A 31 -8.846 -3.526 6.373 1.00 0.00 C ATOM 424 C LYS A 31 -7.875 -2.681 7.199 1.00 0.00 C ATOM 425 O LYS A 31 -6.956 -2.073 6.653 1.00 0.00 O ATOM 426 CB LYS A 31 -8.271 -4.876 5.939 1.00 0.00 C ATOM 427 CG LYS A 31 -9.368 -5.786 5.382 1.00 0.00 C ATOM 428 CD LYS A 31 -9.210 -5.972 3.871 1.00 0.00 C ATOM 429 CE LYS A 31 -10.396 -6.743 3.287 1.00 0.00 C ATOM 430 NZ LYS A 31 -11.208 -5.863 2.417 1.00 0.00 N ATOM 0 H LYS A 31 -9.359 -3.304 4.353 1.00 0.00 H new ATOM 0 HA LYS A 31 -9.694 -3.758 7.018 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.503 -4.721 5.182 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.789 -5.360 6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -9.328 -6.756 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.346 -5.357 5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.131 -4.998 3.387 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.284 -6.508 3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.035 -7.598 2.715 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.014 -7.137 4.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.009 -6.402 2.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.567 -5.061 2.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.619 -5.507 1.637 1.00 0.00 H new ATOM 444 N LYS A 32 -8.112 -2.670 8.503 1.00 0.00 N ATOM 445 CA LYS A 32 -7.270 -1.910 9.410 1.00 0.00 C ATOM 446 C LYS A 32 -7.257 -0.442 8.978 1.00 0.00 C ATOM 447 O LYS A 32 -6.192 0.135 8.761 1.00 0.00 O ATOM 448 CB LYS A 32 -5.877 -2.537 9.501 1.00 0.00 C ATOM 449 CG LYS A 32 -5.820 -3.587 10.612 1.00 0.00 C ATOM 450 CD LYS A 32 -4.872 -4.728 10.240 1.00 0.00 C ATOM 451 CE LYS A 32 -4.093 -5.215 11.464 1.00 0.00 C ATOM 452 NZ LYS A 32 -3.924 -6.685 11.419 1.00 0.00 N ATOM 0 H LYS A 32 -8.875 -3.176 8.952 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.675 -1.941 10.422 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.618 -2.997 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -5.136 -1.760 9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.488 -3.122 11.540 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.819 -3.984 10.794 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.441 -5.554 9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.176 -4.391 9.472 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.117 -4.732 11.497 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.620 -4.931 12.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -3.393 -6.999 12.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.858 -7.142 11.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.401 -6.948 10.559 1.00 0.00 H new ATOM 466 N MET A 33 -8.451 0.119 8.864 1.00 0.00 N ATOM 467 CA MET A 33 -8.591 1.508 8.461 1.00 0.00 C ATOM 468 C MET A 33 -10.063 1.920 8.414 1.00 0.00 C ATOM 469 O MET A 33 -10.522 2.694 9.253 1.00 0.00 O ATOM 470 CB MET A 33 -7.960 1.705 7.081 1.00 0.00 C ATOM 471 CG MET A 33 -7.814 3.192 6.752 1.00 0.00 C ATOM 472 SD MET A 33 -7.411 3.399 5.025 1.00 0.00 S ATOM 473 CE MET A 33 -5.815 2.601 4.982 1.00 0.00 C ATOM 0 H MET A 33 -9.332 -0.363 9.044 1.00 0.00 H new ATOM 0 HA MET A 33 -8.083 2.133 9.195 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.982 1.225 7.053 1.00 0.00 H new ATOM 0 HB3 MET A 33 -8.575 1.220 6.323 1.00 0.00 H new ATOM 0 HG2 MET A 33 -8.741 3.717 6.983 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.034 3.635 7.371 1.00 0.00 H new ATOM 0 HE1 MET A 33 -5.157 3.139 4.299 1.00 0.00 H new ATOM 0 HE2 MET A 33 -5.380 2.603 5.982 1.00 0.00 H new ATOM 0 HE3 MET A 33 -5.931 1.573 4.639 1.00 0.00 H new ATOM 483 N GLY A 34 -10.763 1.385 7.424 1.00 0.00 N ATOM 484 CA GLY A 34 -12.174 1.688 7.257 1.00 0.00 C ATOM 485 C GLY A 34 -12.439 2.330 5.893 1.00 0.00 C ATOM 486 O GLY A 34 -11.583 2.296 5.011 1.00 0.00 O ATOM 0 H GLY A 34 -10.379 0.744 6.730 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.760 0.774 7.353 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.502 2.361 8.050 1.00 0.00 H new ATOM 490 N THR A 35 -13.628 2.899 5.764 1.00 0.00 N ATOM 491 CA THR A 35 -14.017 3.548 4.523 1.00 0.00 C ATOM 492 C THR A 35 -13.610 5.023 4.543 1.00 0.00 C ATOM 493 O THR A 35 -12.897 5.485 3.654 1.00 0.00 O ATOM 494 CB THR A 35 -15.519 3.334 4.328 1.00 0.00 C ATOM 495 OG1 THR A 35 -15.638 1.942 4.046 1.00 0.00 O ATOM 496 CG2 THR A 35 -16.049 4.017 3.066 1.00 0.00 C ATOM 0 H THR A 35 -14.335 2.924 6.498 1.00 0.00 H new ATOM 0 HA THR A 35 -13.499 3.112 3.669 1.00 0.00 H new ATOM 0 HB THR A 35 -16.055 3.713 5.198 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.581 1.716 3.908 1.00 0.00 H new ATOM 0 HG21 THR A 35 -17.120 3.834 2.975 1.00 0.00 H new ATOM 0 HG22 THR A 35 -15.869 5.090 3.130 1.00 0.00 H new ATOM 0 HG23 THR A 35 -15.537 3.615 2.192 1.00 0.00 H new ATOM 504 N THR A 36 -14.082 5.720 5.566 1.00 0.00 N ATOM 505 CA THR A 36 -13.777 7.133 5.713 1.00 0.00 C ATOM 506 C THR A 36 -12.329 7.411 5.304 1.00 0.00 C ATOM 507 O THR A 36 -12.080 8.025 4.268 1.00 0.00 O ATOM 508 CB THR A 36 -14.089 7.537 7.155 1.00 0.00 C ATOM 509 OG1 THR A 36 -15.498 7.358 7.268 1.00 0.00 O ATOM 510 CG2 THR A 36 -13.882 9.032 7.402 1.00 0.00 C ATOM 0 H THR A 36 -14.673 5.333 6.301 1.00 0.00 H new ATOM 0 HA THR A 36 -14.392 7.741 5.050 1.00 0.00 H new ATOM 0 HB THR A 36 -13.458 6.966 7.837 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.786 7.596 8.174 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.117 9.265 8.440 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.844 9.294 7.197 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.537 9.604 6.744 1.00 0.00 H new ATOM 518 N ARG A 37 -11.412 6.945 6.139 1.00 0.00 N ATOM 519 CA ARG A 37 -9.995 7.136 5.877 1.00 0.00 C ATOM 520 C ARG A 37 -9.640 6.624 4.480 1.00 0.00 C ATOM 521 O ARG A 37 -9.195 7.392 3.628 1.00 0.00 O ATOM 522 CB ARG A 37 -9.140 6.404 6.914 1.00 0.00 C ATOM 523 CG ARG A 37 -8.547 7.385 7.926 1.00 0.00 C ATOM 524 CD ARG A 37 -7.060 7.104 8.156 1.00 0.00 C ATOM 525 NE ARG A 37 -6.476 8.149 9.026 1.00 0.00 N ATOM 526 CZ ARG A 37 -5.263 8.066 9.589 1.00 0.00 C ATOM 527 NH1 ARG A 37 -4.498 6.986 9.377 1.00 0.00 N ATOM 528 NH2 ARG A 37 -4.814 9.062 10.364 1.00 0.00 N ATOM 0 H ARG A 37 -11.622 6.436 6.997 1.00 0.00 H new ATOM 0 HA ARG A 37 -9.787 8.204 5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -9.747 5.663 7.433 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -8.337 5.864 6.413 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -8.677 8.406 7.567 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -9.086 7.309 8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.934 6.124 8.616 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.534 7.078 7.201 1.00 0.00 H new ATOM 0 HE ARG A 37 -7.032 8.985 9.208 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.839 6.227 8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.575 6.923 9.806 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.396 9.884 10.526 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.891 8.998 10.792 1.00 0.00 H new ATOM 542 N ARG A 38 -9.849 5.330 4.288 1.00 0.00 N ATOM 543 CA ARG A 38 -9.557 4.706 3.009 1.00 0.00 C ATOM 544 C ARG A 38 -9.971 5.629 1.861 1.00 0.00 C ATOM 545 O ARG A 38 -9.142 6.007 1.034 1.00 0.00 O ATOM 546 CB ARG A 38 -10.287 3.369 2.867 1.00 0.00 C ATOM 547 CG ARG A 38 -10.236 2.866 1.423 1.00 0.00 C ATOM 548 CD ARG A 38 -10.660 1.398 1.339 1.00 0.00 C ATOM 549 NE ARG A 38 -11.324 1.138 0.042 1.00 0.00 N ATOM 550 CZ ARG A 38 -12.626 1.350 -0.192 1.00 0.00 C ATOM 551 NH1 ARG A 38 -13.413 1.828 0.782 1.00 0.00 N ATOM 552 NH2 ARG A 38 -13.142 1.085 -1.400 1.00 0.00 N ATOM 0 H ARG A 38 -10.217 4.696 4.997 1.00 0.00 H new ATOM 0 HA ARG A 38 -8.483 4.526 2.967 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.834 2.631 3.529 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -11.325 3.483 3.180 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -10.891 3.474 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.226 2.980 1.030 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.789 0.752 1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.338 1.159 2.159 1.00 0.00 H new ATOM 0 HE ARG A 38 -10.754 0.774 -0.722 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.021 2.030 1.702 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.404 1.989 0.604 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -12.543 0.722 -2.142 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.133 1.247 -1.578 1.00 0.00 H new ATOM 566 N ALA A 39 -11.252 5.966 1.848 1.00 0.00 N ATOM 567 CA ALA A 39 -11.786 6.838 0.815 1.00 0.00 C ATOM 568 C ALA A 39 -11.061 8.184 0.866 1.00 0.00 C ATOM 569 O ALA A 39 -10.625 8.697 -0.164 1.00 0.00 O ATOM 570 CB ALA A 39 -13.298 6.982 1.000 1.00 0.00 C ATOM 0 H ALA A 39 -11.936 5.651 2.536 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.618 6.410 -0.174 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -13.699 7.636 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.769 6.002 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.505 7.411 1.980 1.00 0.00 H new ATOM 576 N LEU A 40 -10.955 8.718 2.074 1.00 0.00 N ATOM 577 CA LEU A 40 -10.290 9.995 2.272 1.00 0.00 C ATOM 578 C LEU A 40 -8.916 9.959 1.600 1.00 0.00 C ATOM 579 O LEU A 40 -8.696 10.629 0.592 1.00 0.00 O ATOM 580 CB LEU A 40 -10.238 10.347 3.760 1.00 0.00 C ATOM 581 CG LEU A 40 -9.805 11.775 4.096 1.00 0.00 C ATOM 582 CD1 LEU A 40 -10.044 12.714 2.912 1.00 0.00 C ATOM 583 CD2 LEU A 40 -10.494 12.272 5.369 1.00 0.00 C ATOM 0 H LEU A 40 -11.318 8.290 2.925 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.856 10.797 1.798 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.226 10.178 4.188 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.555 9.656 4.253 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.733 11.769 4.291 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.728 13.723 3.178 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.470 12.369 2.052 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.105 12.721 2.661 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.169 13.290 5.585 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -11.575 12.259 5.227 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.230 11.622 6.203 1.00 0.00 H new ATOM 595 N LEU A 41 -8.027 9.171 2.186 1.00 0.00 N ATOM 596 CA LEU A 41 -6.680 9.039 1.657 1.00 0.00 C ATOM 597 C LEU A 41 -6.750 8.812 0.145 1.00 0.00 C ATOM 598 O LEU A 41 -6.068 9.491 -0.620 1.00 0.00 O ATOM 599 CB LEU A 41 -5.914 7.948 2.407 1.00 0.00 C ATOM 600 CG LEU A 41 -5.437 8.310 3.815 1.00 0.00 C ATOM 601 CD1 LEU A 41 -4.382 9.417 3.769 1.00 0.00 C ATOM 602 CD2 LEU A 41 -6.618 8.681 4.715 1.00 0.00 C ATOM 0 H LEU A 41 -8.213 8.617 3.022 1.00 0.00 H new ATOM 0 HA LEU A 41 -6.117 9.959 1.816 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.551 7.067 2.476 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -5.045 7.667 1.812 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.962 7.431 4.251 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.060 9.655 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.525 9.079 3.186 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.808 10.307 3.305 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.252 8.934 5.710 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.142 9.538 4.292 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.302 7.835 4.784 1.00 0.00 H new ATOM 614 N MET A 42 -7.581 7.855 -0.239 1.00 0.00 N ATOM 615 CA MET A 42 -7.750 7.530 -1.645 1.00 0.00 C ATOM 616 C MET A 42 -8.109 8.776 -2.457 1.00 0.00 C ATOM 617 O MET A 42 -7.572 8.990 -3.543 1.00 0.00 O ATOM 618 CB MET A 42 -8.856 6.484 -1.799 1.00 0.00 C ATOM 619 CG MET A 42 -8.300 5.069 -1.628 1.00 0.00 C ATOM 620 SD MET A 42 -9.192 3.932 -2.676 1.00 0.00 S ATOM 621 CE MET A 42 -10.853 4.548 -2.459 1.00 0.00 C ATOM 0 H MET A 42 -8.145 7.294 0.399 1.00 0.00 H new ATOM 0 HA MET A 42 -6.807 7.133 -2.022 1.00 0.00 H new ATOM 0 HB2 MET A 42 -9.637 6.664 -1.060 1.00 0.00 H new ATOM 0 HB3 MET A 42 -9.319 6.581 -2.781 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.240 5.053 -1.880 1.00 0.00 H new ATOM 0 HG3 MET A 42 -8.385 4.759 -0.586 1.00 0.00 H new ATOM 0 HE1 MET A 42 -11.550 3.711 -2.423 1.00 0.00 H new ATOM 0 HE2 MET A 42 -10.914 5.111 -1.527 1.00 0.00 H new ATOM 0 HE3 MET A 42 -11.111 5.200 -3.294 1.00 0.00 H new ATOM 631 N GLU A 43 -9.015 9.566 -1.899 1.00 0.00 N ATOM 632 CA GLU A 43 -9.452 10.785 -2.557 1.00 0.00 C ATOM 633 C GLU A 43 -8.344 11.839 -2.512 1.00 0.00 C ATOM 634 O GLU A 43 -8.152 12.585 -3.472 1.00 0.00 O ATOM 635 CB GLU A 43 -10.740 11.317 -1.926 1.00 0.00 C ATOM 636 CG GLU A 43 -10.802 12.844 -2.009 1.00 0.00 C ATOM 637 CD GLU A 43 -12.202 13.356 -1.665 1.00 0.00 C ATOM 638 OE1 GLU A 43 -13.031 13.413 -2.599 1.00 0.00 O ATOM 639 OE2 GLU A 43 -12.412 13.678 -0.476 1.00 0.00 O ATOM 0 H GLU A 43 -9.458 9.385 -0.998 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.666 10.555 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.603 10.886 -2.434 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.795 11.003 -0.884 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.074 13.279 -1.324 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.529 13.168 -3.013 1.00 0.00 H new ATOM 646 N LEU A 44 -7.643 11.867 -1.388 1.00 0.00 N ATOM 647 CA LEU A 44 -6.559 12.818 -1.206 1.00 0.00 C ATOM 648 C LEU A 44 -5.506 12.598 -2.294 1.00 0.00 C ATOM 649 O LEU A 44 -5.032 13.554 -2.907 1.00 0.00 O ATOM 650 CB LEU A 44 -6.001 12.729 0.216 1.00 0.00 C ATOM 651 CG LEU A 44 -6.964 13.117 1.339 1.00 0.00 C ATOM 652 CD1 LEU A 44 -6.223 13.820 2.478 1.00 0.00 C ATOM 653 CD2 LEU A 44 -8.122 13.962 0.802 1.00 0.00 C ATOM 0 H LEU A 44 -7.804 11.247 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.925 13.839 -1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.664 11.707 0.390 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.122 13.370 0.281 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.395 12.204 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -6.931 14.085 3.263 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -5.463 13.152 2.884 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -5.746 14.724 2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -8.792 14.224 1.621 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.729 14.872 0.349 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -8.671 13.392 0.053 1.00 0.00 H new ATOM 665 N ALA A 45 -5.170 11.333 -2.501 1.00 0.00 N ATOM 666 CA ALA A 45 -4.181 10.976 -3.505 1.00 0.00 C ATOM 667 C ALA A 45 -4.646 11.479 -4.873 1.00 0.00 C ATOM 668 O ALA A 45 -3.887 12.132 -5.589 1.00 0.00 O ATOM 669 CB ALA A 45 -3.957 9.463 -3.485 1.00 0.00 C ATOM 0 H ALA A 45 -5.565 10.543 -1.991 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.224 11.450 -3.287 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -3.216 9.195 -4.238 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -3.600 9.161 -2.500 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.896 8.953 -3.703 1.00 0.00 H new ATOM 675 N ARG A 46 -5.889 11.156 -5.196 1.00 0.00 N ATOM 676 CA ARG A 46 -6.464 11.567 -6.466 1.00 0.00 C ATOM 677 C ARG A 46 -6.093 13.020 -6.771 1.00 0.00 C ATOM 678 O ARG A 46 -5.638 13.330 -7.871 1.00 0.00 O ATOM 679 CB ARG A 46 -7.987 11.429 -6.452 1.00 0.00 C ATOM 680 CG ARG A 46 -8.412 10.004 -6.808 1.00 0.00 C ATOM 681 CD ARG A 46 -9.918 9.815 -6.612 1.00 0.00 C ATOM 682 NE ARG A 46 -10.512 9.198 -7.819 1.00 0.00 N ATOM 683 CZ ARG A 46 -10.848 9.880 -8.923 1.00 0.00 C ATOM 684 NH1 ARG A 46 -10.650 11.204 -8.980 1.00 0.00 N ATOM 685 NH2 ARG A 46 -11.382 9.237 -9.971 1.00 0.00 N ATOM 0 H ARG A 46 -6.515 10.614 -4.600 1.00 0.00 H new ATOM 0 HA ARG A 46 -6.059 10.915 -7.240 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -8.370 11.691 -5.466 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -8.426 12.131 -7.161 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -8.147 9.790 -7.843 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -7.869 9.293 -6.186 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -10.104 9.185 -5.742 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -10.391 10.777 -6.415 1.00 0.00 H new ATOM 0 HE ARG A 46 -10.676 8.191 -7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -10.243 11.694 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -10.906 11.722 -9.820 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -11.533 8.229 -9.928 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -11.638 9.756 -10.811 1.00 0.00 H new ATOM 699 N ARG A 47 -6.300 13.871 -5.778 1.00 0.00 N ATOM 700 CA ARG A 47 -5.993 15.284 -5.926 1.00 0.00 C ATOM 701 C ARG A 47 -4.564 15.465 -6.441 1.00 0.00 C ATOM 702 O ARG A 47 -4.294 16.369 -7.230 1.00 0.00 O ATOM 703 CB ARG A 47 -6.146 16.023 -4.596 1.00 0.00 C ATOM 704 CG ARG A 47 -7.615 16.101 -4.177 1.00 0.00 C ATOM 705 CD ARG A 47 -7.752 16.116 -2.653 1.00 0.00 C ATOM 706 NE ARG A 47 -7.979 17.499 -2.179 1.00 0.00 N ATOM 707 CZ ARG A 47 -7.002 18.394 -1.977 1.00 0.00 C ATOM 708 NH1 ARG A 47 -5.726 18.057 -2.208 1.00 0.00 N ATOM 709 NH2 ARG A 47 -7.302 19.627 -1.545 1.00 0.00 N ATOM 0 H ARG A 47 -6.677 13.610 -4.867 1.00 0.00 H new ATOM 0 HA ARG A 47 -6.698 15.703 -6.644 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.571 15.512 -3.824 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.736 17.029 -4.686 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -8.069 17.000 -4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -8.159 15.250 -4.586 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -8.581 15.478 -2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.851 15.709 -2.195 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.939 17.790 -1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.498 17.119 -2.538 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.983 18.738 -2.054 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -8.274 19.884 -1.370 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -6.559 20.308 -1.391 1.00 0.00 H new ATOM 723 N LYS A 48 -3.685 14.590 -5.974 1.00 0.00 N ATOM 724 CA LYS A 48 -2.290 14.642 -6.378 1.00 0.00 C ATOM 725 C LYS A 48 -2.175 14.246 -7.851 1.00 0.00 C ATOM 726 O LYS A 48 -1.238 14.655 -8.536 1.00 0.00 O ATOM 727 CB LYS A 48 -1.430 13.790 -5.443 1.00 0.00 C ATOM 728 CG LYS A 48 -1.592 14.237 -3.988 1.00 0.00 C ATOM 729 CD LYS A 48 -0.919 15.590 -3.752 1.00 0.00 C ATOM 730 CE LYS A 48 -1.276 16.146 -2.372 1.00 0.00 C ATOM 731 NZ LYS A 48 -0.282 17.158 -1.948 1.00 0.00 N ATOM 0 H LYS A 48 -3.912 13.841 -5.320 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.905 15.658 -6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.712 12.741 -5.538 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.383 13.866 -5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -2.651 14.306 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.157 13.490 -3.324 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.162 15.482 -3.836 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.230 16.294 -4.524 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -2.270 16.593 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -1.311 15.335 -1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -0.647 17.680 -1.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.607 16.684 -1.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.107 17.821 -2.730 1.00 0.00 H new ATOM 745 N GLY A 49 -3.140 13.455 -8.295 1.00 0.00 N ATOM 746 CA GLY A 49 -3.159 12.999 -9.675 1.00 0.00 C ATOM 747 C GLY A 49 -2.977 11.482 -9.754 1.00 0.00 C ATOM 748 O GLY A 49 -2.581 10.954 -10.791 1.00 0.00 O ATOM 0 H GLY A 49 -3.915 13.118 -7.724 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.103 13.280 -10.142 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.366 13.494 -10.236 1.00 0.00 H new ATOM 752 N PHE A 50 -3.275 10.824 -8.643 1.00 0.00 N ATOM 753 CA PHE A 50 -3.149 9.378 -8.573 1.00 0.00 C ATOM 754 C PHE A 50 -4.486 8.696 -8.868 1.00 0.00 C ATOM 755 O PHE A 50 -5.482 8.958 -8.195 1.00 0.00 O ATOM 756 CB PHE A 50 -2.719 9.035 -7.146 1.00 0.00 C ATOM 757 CG PHE A 50 -1.237 9.292 -6.863 1.00 0.00 C ATOM 758 CD1 PHE A 50 -0.285 8.642 -7.585 1.00 0.00 C ATOM 759 CD2 PHE A 50 -0.872 10.169 -5.890 1.00 0.00 C ATOM 760 CE1 PHE A 50 1.090 8.880 -7.323 1.00 0.00 C ATOM 761 CE2 PHE A 50 0.503 10.407 -5.628 1.00 0.00 C ATOM 762 CZ PHE A 50 1.455 9.758 -6.350 1.00 0.00 C ATOM 0 H PHE A 50 -3.603 11.266 -7.784 1.00 0.00 H new ATOM 0 HA PHE A 50 -2.425 9.032 -9.310 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -3.318 9.618 -6.447 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -2.938 7.985 -6.954 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.575 7.945 -8.357 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.628 10.685 -5.316 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.846 8.364 -7.896 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.793 11.104 -4.855 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.501 9.940 -6.151 1.00 0.00 H new ATOM 772 N ARG A 51 -4.466 7.836 -9.875 1.00 0.00 N ATOM 773 CA ARG A 51 -5.665 7.115 -10.268 1.00 0.00 C ATOM 774 C ARG A 51 -6.040 6.087 -9.198 1.00 0.00 C ATOM 775 O ARG A 51 -5.763 4.898 -9.350 1.00 0.00 O ATOM 776 CB ARG A 51 -5.464 6.398 -11.605 1.00 0.00 C ATOM 777 CG ARG A 51 -6.725 5.635 -12.013 1.00 0.00 C ATOM 778 CD ARG A 51 -6.471 4.783 -13.258 1.00 0.00 C ATOM 779 NE ARG A 51 -7.462 5.112 -14.307 1.00 0.00 N ATOM 780 CZ ARG A 51 -8.781 4.911 -14.184 1.00 0.00 C ATOM 781 NH1 ARG A 51 -9.276 4.381 -13.057 1.00 0.00 N ATOM 782 NH2 ARG A 51 -9.606 5.240 -15.188 1.00 0.00 N ATOM 0 H ARG A 51 -3.638 7.622 -10.431 1.00 0.00 H new ATOM 0 HA ARG A 51 -6.469 7.843 -10.376 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.209 7.124 -12.376 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -4.625 5.706 -11.528 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.050 4.997 -11.191 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.533 6.339 -12.209 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.462 4.960 -13.631 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.535 3.725 -13.004 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.119 5.517 -15.178 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.649 4.131 -12.293 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.280 4.228 -12.963 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.230 5.643 -16.046 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.610 5.087 -15.094 1.00 0.00 H new ATOM 796 N VAL A 52 -6.665 6.583 -8.140 1.00 0.00 N ATOM 797 CA VAL A 52 -7.081 5.723 -7.045 1.00 0.00 C ATOM 798 C VAL A 52 -8.382 5.014 -7.426 1.00 0.00 C ATOM 799 O VAL A 52 -9.228 5.587 -8.112 1.00 0.00 O ATOM 800 CB VAL A 52 -7.198 6.537 -5.755 1.00 0.00 C ATOM 801 CG1 VAL A 52 -7.687 5.664 -4.598 1.00 0.00 C ATOM 802 CG2 VAL A 52 -5.869 7.212 -5.410 1.00 0.00 C ATOM 0 H VAL A 52 -6.893 7.570 -8.018 1.00 0.00 H new ATOM 0 HA VAL A 52 -6.333 4.952 -6.859 1.00 0.00 H new ATOM 0 HB VAL A 52 -7.938 7.320 -5.919 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.761 6.267 -3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -8.667 5.253 -4.841 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.982 4.849 -4.434 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -5.980 7.784 -4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.099 6.452 -5.275 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.580 7.881 -6.220 1.00 0.00 H new ATOM 812 N GLU A 53 -8.503 3.779 -6.963 1.00 0.00 N ATOM 813 CA GLU A 53 -9.688 2.986 -7.247 1.00 0.00 C ATOM 814 C GLU A 53 -10.347 2.533 -5.942 1.00 0.00 C ATOM 815 O GLU A 53 -9.662 2.255 -4.960 1.00 0.00 O ATOM 816 CB GLU A 53 -9.346 1.787 -8.133 1.00 0.00 C ATOM 817 CG GLU A 53 -8.711 2.241 -9.449 1.00 0.00 C ATOM 818 CD GLU A 53 -9.757 2.867 -10.375 1.00 0.00 C ATOM 819 OE1 GLU A 53 -10.551 2.086 -10.944 1.00 0.00 O ATOM 820 OE2 GLU A 53 -9.739 4.111 -10.493 1.00 0.00 O ATOM 0 H GLU A 53 -7.801 3.307 -6.393 1.00 0.00 H new ATOM 0 HA GLU A 53 -10.397 3.609 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -8.661 1.123 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -10.250 1.214 -8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -7.921 2.964 -9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -8.244 1.390 -9.945 1.00 0.00 H new ATOM 827 N ASN A 54 -11.670 2.473 -5.976 1.00 0.00 N ATOM 828 CA ASN A 54 -12.430 2.059 -4.809 1.00 0.00 C ATOM 829 C ASN A 54 -12.232 0.559 -4.582 1.00 0.00 C ATOM 830 O ASN A 54 -12.063 0.116 -3.447 1.00 0.00 O ATOM 831 CB ASN A 54 -13.926 2.313 -5.007 1.00 0.00 C ATOM 832 CG ASN A 54 -14.350 3.629 -4.352 1.00 0.00 C ATOM 833 OD1 ASN A 54 -14.214 4.704 -4.913 1.00 0.00 O ATOM 834 ND2 ASN A 54 -14.870 3.485 -3.136 1.00 0.00 N ATOM 0 H ASN A 54 -12.235 2.704 -6.793 1.00 0.00 H new ATOM 0 HA ASN A 54 -12.076 2.636 -3.955 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -14.156 2.342 -6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.498 1.489 -4.580 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -15.183 4.304 -2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -14.955 2.556 -2.725 1.00 0.00 H new ATOM 841 N GLU A 55 -12.259 -0.182 -5.681 1.00 0.00 N ATOM 842 CA GLU A 55 -12.084 -1.623 -5.617 1.00 0.00 C ATOM 843 C GLU A 55 -10.883 -2.050 -6.464 1.00 0.00 C ATOM 844 O GLU A 55 -10.517 -1.365 -7.417 1.00 0.00 O ATOM 845 CB GLU A 55 -13.355 -2.350 -6.060 1.00 0.00 C ATOM 846 CG GLU A 55 -13.724 -1.980 -7.498 1.00 0.00 C ATOM 847 CD GLU A 55 -15.108 -2.519 -7.865 1.00 0.00 C ATOM 848 OE1 GLU A 55 -15.381 -3.681 -7.496 1.00 0.00 O ATOM 849 OE2 GLU A 55 -15.863 -1.755 -8.505 1.00 0.00 O ATOM 0 H GLU A 55 -12.399 0.189 -6.621 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.890 -1.900 -4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -13.207 -3.427 -5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.177 -2.093 -5.392 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -13.710 -0.896 -7.614 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.979 -2.384 -8.184 1.00 0.00 H new ATOM 856 N LEU A 56 -10.305 -3.180 -6.085 1.00 0.00 N ATOM 857 CA LEU A 56 -9.154 -3.707 -6.798 1.00 0.00 C ATOM 858 C LEU A 56 -9.494 -3.835 -8.284 1.00 0.00 C ATOM 859 O LEU A 56 -10.666 -3.900 -8.653 1.00 0.00 O ATOM 860 CB LEU A 56 -8.681 -5.015 -6.160 1.00 0.00 C ATOM 861 CG LEU A 56 -7.662 -5.824 -6.965 1.00 0.00 C ATOM 862 CD1 LEU A 56 -6.276 -5.178 -6.901 1.00 0.00 C ATOM 863 CD2 LEU A 56 -7.635 -7.283 -6.508 1.00 0.00 C ATOM 0 H LEU A 56 -10.612 -3.745 -5.293 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.312 -3.019 -6.722 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.246 -4.785 -5.187 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.553 -5.644 -5.979 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.972 -5.820 -8.010 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -5.570 -5.773 -7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.325 -4.170 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.944 -5.131 -5.864 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.902 -7.835 -7.097 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.362 -7.329 -5.454 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.621 -7.726 -6.648 1.00 0.00 H new ATOM 875 N SER A 57 -8.449 -3.869 -9.097 1.00 0.00 N ATOM 876 CA SER A 57 -8.623 -3.989 -10.535 1.00 0.00 C ATOM 877 C SER A 57 -7.294 -4.365 -11.193 1.00 0.00 C ATOM 878 O SER A 57 -6.260 -4.415 -10.529 1.00 0.00 O ATOM 879 CB SER A 57 -9.164 -2.690 -11.134 1.00 0.00 C ATOM 880 OG SER A 57 -10.549 -2.786 -11.456 1.00 0.00 O ATOM 0 H SER A 57 -7.478 -3.816 -8.788 1.00 0.00 H new ATOM 0 HA SER A 57 -9.351 -4.777 -10.727 1.00 0.00 H new ATOM 0 HB2 SER A 57 -9.012 -1.874 -10.427 1.00 0.00 H new ATOM 0 HB3 SER A 57 -8.599 -2.443 -12.033 1.00 0.00 H new ATOM 0 HG SER A 57 -11.039 -3.149 -10.689 1.00 0.00 H new ATOM 886 N ASP A 58 -7.364 -4.619 -12.492 1.00 0.00 N ATOM 887 CA ASP A 58 -6.180 -4.988 -13.247 1.00 0.00 C ATOM 888 C ASP A 58 -5.299 -3.752 -13.444 1.00 0.00 C ATOM 889 O ASP A 58 -4.155 -3.864 -13.881 1.00 0.00 O ATOM 890 CB ASP A 58 -6.554 -5.527 -14.630 1.00 0.00 C ATOM 891 CG ASP A 58 -6.769 -4.458 -15.703 1.00 0.00 C ATOM 892 OD1 ASP A 58 -7.708 -3.653 -15.522 1.00 0.00 O ATOM 893 OD2 ASP A 58 -5.991 -4.471 -16.682 1.00 0.00 O ATOM 0 H ASP A 58 -8.223 -4.576 -13.040 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.652 -5.761 -12.689 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.768 -6.204 -14.965 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -7.465 -6.118 -14.539 1.00 0.00 H new ATOM 898 N SER A 59 -5.867 -2.602 -13.111 1.00 0.00 N ATOM 899 CA SER A 59 -5.148 -1.346 -13.246 1.00 0.00 C ATOM 900 C SER A 59 -4.361 -1.055 -11.967 1.00 0.00 C ATOM 901 O SER A 59 -3.408 -0.277 -11.984 1.00 0.00 O ATOM 902 CB SER A 59 -6.106 -0.194 -13.554 1.00 0.00 C ATOM 903 OG SER A 59 -5.723 0.519 -14.727 1.00 0.00 O ATOM 0 H SER A 59 -6.816 -2.514 -12.748 1.00 0.00 H new ATOM 0 HA SER A 59 -4.453 -1.437 -14.080 1.00 0.00 H new ATOM 0 HB2 SER A 59 -7.115 -0.586 -13.681 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.134 0.491 -12.706 1.00 0.00 H new ATOM 0 HG SER A 59 -6.360 1.245 -14.891 1.00 0.00 H new ATOM 909 N VAL A 60 -4.788 -1.694 -10.888 1.00 0.00 N ATOM 910 CA VAL A 60 -4.135 -1.513 -9.603 1.00 0.00 C ATOM 911 C VAL A 60 -2.673 -1.952 -9.712 1.00 0.00 C ATOM 912 O VAL A 60 -2.387 -3.138 -9.864 1.00 0.00 O ATOM 913 CB VAL A 60 -4.904 -2.264 -8.514 1.00 0.00 C ATOM 914 CG1 VAL A 60 -4.133 -2.257 -7.193 1.00 0.00 C ATOM 915 CG2 VAL A 60 -6.307 -1.681 -8.333 1.00 0.00 C ATOM 0 H VAL A 60 -5.579 -2.338 -10.877 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.139 -0.461 -9.318 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.010 -3.301 -8.834 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.702 -2.797 -6.437 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.166 -2.740 -7.334 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.981 -1.228 -6.866 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.832 -2.233 -7.553 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.231 -0.632 -8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.859 -1.763 -9.270 1.00 0.00 H new ATOM 925 N THR A 61 -1.787 -0.970 -9.630 1.00 0.00 N ATOM 926 CA THR A 61 -0.362 -1.240 -9.718 1.00 0.00 C ATOM 927 C THR A 61 0.304 -1.043 -8.355 1.00 0.00 C ATOM 928 O THR A 61 1.453 -1.435 -8.158 1.00 0.00 O ATOM 929 CB THR A 61 0.222 -0.346 -10.814 1.00 0.00 C ATOM 930 OG1 THR A 61 -0.018 0.979 -10.346 1.00 0.00 O ATOM 931 CG2 THR A 61 -0.569 -0.428 -12.121 1.00 0.00 C ATOM 0 H THR A 61 -2.028 0.013 -9.504 1.00 0.00 H new ATOM 0 HA THR A 61 -0.173 -2.278 -9.990 1.00 0.00 H new ATOM 0 HB THR A 61 1.258 -0.629 -10.999 1.00 0.00 H new ATOM 0 HG1 THR A 61 0.155 1.022 -9.382 1.00 0.00 H new ATOM 0 HG21 THR A 61 -0.112 0.225 -12.864 1.00 0.00 H new ATOM 0 HG22 THR A 61 -0.562 -1.455 -12.487 1.00 0.00 H new ATOM 0 HG23 THR A 61 -1.597 -0.113 -11.944 1.00 0.00 H new ATOM 939 N HIS A 62 -0.448 -0.435 -7.448 1.00 0.00 N ATOM 940 CA HIS A 62 0.055 -0.182 -6.108 1.00 0.00 C ATOM 941 C HIS A 62 -1.084 -0.326 -5.097 1.00 0.00 C ATOM 942 O HIS A 62 -2.120 0.324 -5.226 1.00 0.00 O ATOM 943 CB HIS A 62 0.742 1.183 -6.035 1.00 0.00 C ATOM 944 CG HIS A 62 1.621 1.492 -7.224 1.00 0.00 C ATOM 945 ND1 HIS A 62 1.171 2.196 -8.327 1.00 0.00 N ATOM 946 CD2 HIS A 62 2.928 1.187 -7.469 1.00 0.00 C ATOM 947 CE1 HIS A 62 2.169 2.303 -9.191 1.00 0.00 C ATOM 948 NE2 HIS A 62 3.257 1.676 -8.658 1.00 0.00 N ATOM 0 H HIS A 62 -1.401 -0.111 -7.615 1.00 0.00 H new ATOM 0 HA HIS A 62 0.815 -0.921 -5.855 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -0.020 1.958 -5.948 1.00 0.00 H new ATOM 0 HB3 HIS A 62 1.346 1.227 -5.129 1.00 0.00 H new ATOM 0 HD2 HIS A 62 3.584 0.640 -6.807 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.129 2.799 -10.149 1.00 0.00 H new ATOM 0 HE2 HIS A 62 4.173 1.596 -9.100 1.00 0.00 H new ATOM 956 N ILE A 63 -0.853 -1.183 -4.113 1.00 0.00 N ATOM 957 CA ILE A 63 -1.847 -1.421 -3.080 1.00 0.00 C ATOM 958 C ILE A 63 -1.342 -0.856 -1.751 1.00 0.00 C ATOM 959 O ILE A 63 -0.205 -1.111 -1.356 1.00 0.00 O ATOM 960 CB ILE A 63 -2.210 -2.907 -3.018 1.00 0.00 C ATOM 961 CG1 ILE A 63 -3.110 -3.301 -4.190 1.00 0.00 C ATOM 962 CG2 ILE A 63 -2.837 -3.262 -1.668 1.00 0.00 C ATOM 963 CD1 ILE A 63 -3.346 -4.812 -4.216 1.00 0.00 C ATOM 0 H ILE A 63 0.007 -1.721 -4.009 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.774 -0.899 -3.317 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.292 -3.487 -3.109 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -4.065 -2.782 -4.110 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.652 -2.985 -5.127 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.086 -4.323 -1.650 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.129 -3.042 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -3.743 -2.675 -1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.989 -5.065 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -2.391 -5.328 -4.320 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -3.826 -5.121 -3.288 1.00 0.00 H new ATOM 975 N VAL A 64 -2.210 -0.098 -1.099 1.00 0.00 N ATOM 976 CA VAL A 64 -1.866 0.506 0.177 1.00 0.00 C ATOM 977 C VAL A 64 -2.576 -0.249 1.303 1.00 0.00 C ATOM 978 O VAL A 64 -3.741 -0.619 1.167 1.00 0.00 O ATOM 979 CB VAL A 64 -2.199 1.999 0.156 1.00 0.00 C ATOM 980 CG1 VAL A 64 -1.791 2.671 1.470 1.00 0.00 C ATOM 981 CG2 VAL A 64 -1.543 2.691 -1.040 1.00 0.00 C ATOM 0 H VAL A 64 -3.152 0.112 -1.430 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.794 0.428 0.359 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.279 2.099 0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.039 3.732 1.428 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.326 2.206 2.298 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.718 2.555 1.620 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.796 3.751 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.461 2.576 -0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.904 2.240 -1.964 1.00 0.00 H new ATOM 991 N ALA A 65 -1.844 -0.455 2.387 1.00 0.00 N ATOM 992 CA ALA A 65 -2.390 -1.160 3.535 1.00 0.00 C ATOM 993 C ALA A 65 -1.830 -0.544 4.819 1.00 0.00 C ATOM 994 O ALA A 65 -0.672 -0.133 4.861 1.00 0.00 O ATOM 995 CB ALA A 65 -2.071 -2.652 3.417 1.00 0.00 C ATOM 0 H ALA A 65 -0.878 -0.147 2.495 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.475 -1.060 3.567 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -2.480 -3.181 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -2.515 -3.048 2.503 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.990 -2.792 3.386 1.00 0.00 H new ATOM 1001 N GLU A 66 -2.680 -0.500 5.835 1.00 0.00 N ATOM 1002 CA GLU A 66 -2.284 0.059 7.117 1.00 0.00 C ATOM 1003 C GLU A 66 -2.239 -1.038 8.183 1.00 0.00 C ATOM 1004 O GLU A 66 -3.211 -1.770 8.367 1.00 0.00 O ATOM 1005 CB GLU A 66 -3.225 1.191 7.535 1.00 0.00 C ATOM 1006 CG GLU A 66 -2.791 1.800 8.870 1.00 0.00 C ATOM 1007 CD GLU A 66 -4.000 2.305 9.660 1.00 0.00 C ATOM 1008 OE1 GLU A 66 -4.667 1.452 10.284 1.00 0.00 O ATOM 1009 OE2 GLU A 66 -4.229 3.534 9.623 1.00 0.00 O ATOM 0 H GLU A 66 -3.640 -0.842 5.797 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.284 0.481 7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -3.236 1.963 6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -4.243 0.810 7.619 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.254 1.055 9.457 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -2.099 2.623 8.691 1.00 0.00 H new ATOM 1016 N ASN A 67 -1.101 -1.117 8.857 1.00 0.00 N ATOM 1017 CA ASN A 67 -0.917 -2.112 9.900 1.00 0.00 C ATOM 1018 C ASN A 67 -1.075 -3.510 9.298 1.00 0.00 C ATOM 1019 O ASN A 67 -1.594 -4.415 9.950 1.00 0.00 O ATOM 1020 CB ASN A 67 -1.963 -1.952 11.005 1.00 0.00 C ATOM 1021 CG ASN A 67 -1.842 -0.584 11.680 1.00 0.00 C ATOM 1022 OD1 ASN A 67 -2.958 0.139 11.640 1.00 0.00 O flip ATOM 1023 ND2 ASN A 67 -0.805 -0.209 12.201 1.00 0.00 N flip ATOM 0 H ASN A 67 -0.297 -0.508 8.701 1.00 0.00 H new ATOM 0 HA ASN A 67 0.078 -1.977 10.324 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -2.962 -2.067 10.585 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.837 -2.740 11.747 1.00 0.00 H new ATOM 0 HD21 ASN A 67 0.016 -0.814 12.196 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -0.759 0.710 12.641 1.00 0.00 H new ATOM 1030 N ASN A 68 -0.619 -3.642 8.061 1.00 0.00 N ATOM 1031 CA ASN A 68 -0.703 -4.915 7.365 1.00 0.00 C ATOM 1032 C ASN A 68 0.641 -5.217 6.699 1.00 0.00 C ATOM 1033 O ASN A 68 1.272 -4.326 6.134 1.00 0.00 O ATOM 1034 CB ASN A 68 -1.773 -4.874 6.272 1.00 0.00 C ATOM 1035 CG ASN A 68 -3.135 -5.302 6.822 1.00 0.00 C ATOM 1036 OD1 ASN A 68 -3.454 -6.476 6.919 1.00 0.00 O ATOM 1037 ND2 ASN A 68 -3.918 -4.287 7.176 1.00 0.00 N ATOM 0 H ASN A 68 -0.190 -2.889 7.523 1.00 0.00 H new ATOM 0 HA ASN A 68 -0.961 -5.683 8.095 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -1.842 -3.866 5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -1.485 -5.531 5.451 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.847 -4.468 7.555 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -3.589 -3.328 7.069 1.00 0.00 H new ATOM 1044 N SER A 69 1.039 -6.477 6.789 1.00 0.00 N ATOM 1045 CA SER A 69 2.297 -6.908 6.203 1.00 0.00 C ATOM 1046 C SER A 69 2.061 -7.432 4.785 1.00 0.00 C ATOM 1047 O SER A 69 0.978 -7.927 4.474 1.00 0.00 O ATOM 1048 CB SER A 69 2.965 -7.984 7.062 1.00 0.00 C ATOM 1049 OG SER A 69 3.068 -7.589 8.427 1.00 0.00 O ATOM 0 H SER A 69 0.513 -7.214 7.259 1.00 0.00 H new ATOM 0 HA SER A 69 2.966 -6.049 6.160 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.392 -8.909 6.994 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.960 -8.195 6.670 1.00 0.00 H new ATOM 0 HG SER A 69 3.498 -8.303 8.943 1.00 0.00 H new ATOM 1055 N GLY A 70 3.092 -7.306 3.963 1.00 0.00 N ATOM 1056 CA GLY A 70 3.011 -7.761 2.585 1.00 0.00 C ATOM 1057 C GLY A 70 2.286 -9.106 2.494 1.00 0.00 C ATOM 1058 O GLY A 70 1.549 -9.354 1.541 1.00 0.00 O ATOM 0 H GLY A 70 3.988 -6.895 4.224 1.00 0.00 H new ATOM 0 HA2 GLY A 70 2.486 -7.019 1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 70 4.014 -7.856 2.170 1.00 0.00 H new ATOM 1062 N SER A 71 2.521 -9.938 3.497 1.00 0.00 N ATOM 1063 CA SER A 71 1.900 -11.251 3.542 1.00 0.00 C ATOM 1064 C SER A 71 0.384 -11.107 3.688 1.00 0.00 C ATOM 1065 O SER A 71 -0.377 -11.777 2.991 1.00 0.00 O ATOM 1066 CB SER A 71 2.467 -12.090 4.689 1.00 0.00 C ATOM 1067 OG SER A 71 2.010 -11.635 5.959 1.00 0.00 O ATOM 0 H SER A 71 3.133 -9.729 4.286 1.00 0.00 H new ATOM 0 HA SER A 71 2.122 -11.767 2.608 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.179 -13.132 4.552 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.556 -12.053 4.661 1.00 0.00 H new ATOM 0 HG SER A 71 2.393 -12.197 6.665 1.00 0.00 H new ATOM 1073 N ASP A 72 -0.011 -10.230 4.599 1.00 0.00 N ATOM 1074 CA ASP A 72 -1.422 -9.990 4.846 1.00 0.00 C ATOM 1075 C ASP A 72 -2.101 -9.575 3.539 1.00 0.00 C ATOM 1076 O ASP A 72 -3.130 -10.135 3.165 1.00 0.00 O ATOM 1077 CB ASP A 72 -1.620 -8.862 5.861 1.00 0.00 C ATOM 1078 CG ASP A 72 -1.500 -9.283 7.327 1.00 0.00 C ATOM 1079 OD1 ASP A 72 -2.372 -10.062 7.767 1.00 0.00 O ATOM 1080 OD2 ASP A 72 -0.539 -8.815 7.974 1.00 0.00 O ATOM 0 H ASP A 72 0.623 -9.676 5.176 1.00 0.00 H new ATOM 0 HA ASP A 72 -1.856 -10.909 5.239 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.886 -8.081 5.662 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -2.605 -8.421 5.705 1.00 0.00 H new ATOM 1085 N VAL A 73 -1.496 -8.597 2.880 1.00 0.00 N ATOM 1086 CA VAL A 73 -2.029 -8.100 1.623 1.00 0.00 C ATOM 1087 C VAL A 73 -1.946 -9.205 0.567 1.00 0.00 C ATOM 1088 O VAL A 73 -2.890 -9.414 -0.193 1.00 0.00 O ATOM 1089 CB VAL A 73 -1.295 -6.823 1.212 1.00 0.00 C ATOM 1090 CG1 VAL A 73 -1.962 -6.174 -0.002 1.00 0.00 C ATOM 1091 CG2 VAL A 73 -1.208 -5.840 2.381 1.00 0.00 C ATOM 0 H VAL A 73 -0.642 -8.136 3.193 1.00 0.00 H new ATOM 0 HA VAL A 73 -3.080 -7.833 1.732 1.00 0.00 H new ATOM 0 HB VAL A 73 -0.279 -7.097 0.929 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.420 -5.268 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.948 -6.870 -0.840 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.994 -5.921 0.242 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.681 -4.941 2.062 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.213 -5.575 2.709 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.667 -6.303 3.206 1.00 0.00 H new ATOM 1101 N LEU A 74 -0.808 -9.883 0.555 1.00 0.00 N ATOM 1102 CA LEU A 74 -0.589 -10.960 -0.395 1.00 0.00 C ATOM 1103 C LEU A 74 -1.700 -12.001 -0.244 1.00 0.00 C ATOM 1104 O LEU A 74 -2.457 -12.248 -1.181 1.00 0.00 O ATOM 1105 CB LEU A 74 0.820 -11.536 -0.237 1.00 0.00 C ATOM 1106 CG LEU A 74 1.890 -10.954 -1.163 1.00 0.00 C ATOM 1107 CD1 LEU A 74 3.285 -11.432 -0.757 1.00 0.00 C ATOM 1108 CD2 LEU A 74 1.579 -11.272 -2.627 1.00 0.00 C ATOM 0 H LEU A 74 -0.028 -9.707 1.188 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.641 -10.584 -1.417 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.139 -11.385 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.772 -12.612 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 74 1.879 -9.869 -1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.027 -11.004 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.496 -11.114 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.328 -12.520 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.355 -10.847 -3.264 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.547 -12.353 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.614 -10.843 -2.895 1.00 0.00 H new ATOM 1120 N GLU A 75 -1.762 -12.585 0.944 1.00 0.00 N ATOM 1121 CA GLU A 75 -2.767 -13.594 1.231 1.00 0.00 C ATOM 1122 C GLU A 75 -4.141 -13.128 0.743 1.00 0.00 C ATOM 1123 O GLU A 75 -4.921 -13.924 0.222 1.00 0.00 O ATOM 1124 CB GLU A 75 -2.800 -13.927 2.724 1.00 0.00 C ATOM 1125 CG GLU A 75 -1.446 -14.458 3.197 1.00 0.00 C ATOM 1126 CD GLU A 75 -1.600 -15.816 3.886 1.00 0.00 C ATOM 1127 OE1 GLU A 75 -1.932 -15.805 5.091 1.00 0.00 O ATOM 1128 OE2 GLU A 75 -1.383 -16.832 3.193 1.00 0.00 O ATOM 0 H GLU A 75 -1.132 -12.378 1.719 1.00 0.00 H new ATOM 0 HA GLU A 75 -2.502 -14.505 0.695 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -3.064 -13.036 3.293 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -3.574 -14.670 2.918 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.771 -14.552 2.346 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.993 -13.746 3.886 1.00 0.00 H new ATOM 1135 N TRP A 76 -4.394 -11.841 0.929 1.00 0.00 N ATOM 1136 CA TRP A 76 -5.660 -11.260 0.514 1.00 0.00 C ATOM 1137 C TRP A 76 -5.691 -11.237 -1.015 1.00 0.00 C ATOM 1138 O TRP A 76 -6.725 -11.511 -1.623 1.00 0.00 O ATOM 1139 CB TRP A 76 -5.859 -9.877 1.137 1.00 0.00 C ATOM 1140 CG TRP A 76 -7.029 -9.090 0.544 1.00 0.00 C ATOM 1141 CD1 TRP A 76 -8.277 -8.982 1.021 1.00 0.00 C ATOM 1142 CD2 TRP A 76 -7.011 -8.300 -0.664 1.00 0.00 C ATOM 1143 NE1 TRP A 76 -9.061 -8.184 0.213 1.00 0.00 N ATOM 1144 CE2 TRP A 76 -8.266 -7.756 -0.844 1.00 0.00 C ATOM 1145 CE3 TRP A 76 -5.968 -8.053 -1.573 1.00 0.00 C ATOM 1146 CZ2 TRP A 76 -8.596 -6.931 -1.926 1.00 0.00 C ATOM 1147 CZ3 TRP A 76 -6.313 -7.227 -2.649 1.00 0.00 C ATOM 1148 CH2 TRP A 76 -7.572 -6.671 -2.845 1.00 0.00 C ATOM 0 H TRP A 76 -3.744 -11.184 1.361 1.00 0.00 H new ATOM 0 HA TRP A 76 -6.496 -11.862 0.870 1.00 0.00 H new ATOM 0 HB2 TRP A 76 -6.018 -9.992 2.209 1.00 0.00 H new ATOM 0 HB3 TRP A 76 -4.944 -9.298 1.011 1.00 0.00 H new ATOM 0 HD1 TRP A 76 -8.625 -9.460 1.925 1.00 0.00 H new ATOM 0 HE1 TRP A 76 -10.043 -7.951 0.364 1.00 0.00 H new ATOM 0 HE3 TRP A 76 -4.978 -8.468 -1.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 -9.587 -6.518 -2.045 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 -5.547 -7.006 -3.378 1.00 0.00 H new ATOM 0 HH2 TRP A 76 -7.759 -6.041 -3.702 1.00 0.00 H new ATOM 1159 N LEU A 77 -4.545 -10.908 -1.594 1.00 0.00 N ATOM 1160 CA LEU A 77 -4.428 -10.845 -3.041 1.00 0.00 C ATOM 1161 C LEU A 77 -4.936 -12.156 -3.646 1.00 0.00 C ATOM 1162 O LEU A 77 -5.816 -12.147 -4.505 1.00 0.00 O ATOM 1163 CB LEU A 77 -2.996 -10.494 -3.448 1.00 0.00 C ATOM 1164 CG LEU A 77 -2.849 -9.396 -4.503 1.00 0.00 C ATOM 1165 CD1 LEU A 77 -3.910 -9.539 -5.595 1.00 0.00 C ATOM 1166 CD2 LEU A 77 -2.873 -8.009 -3.858 1.00 0.00 C ATOM 0 H LEU A 77 -3.689 -10.682 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.053 -10.046 -3.440 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.450 -10.188 -2.555 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.514 -11.397 -3.822 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.877 -9.511 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.783 -8.746 -6.332 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.802 -10.508 -6.082 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.902 -9.465 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.767 -7.247 -4.630 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.819 -7.867 -3.336 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.050 -7.924 -3.148 1.00 0.00 H new ATOM 1178 N GLN A 78 -4.358 -13.251 -3.175 1.00 0.00 N ATOM 1179 CA GLN A 78 -4.740 -14.566 -3.659 1.00 0.00 C ATOM 1180 C GLN A 78 -6.237 -14.798 -3.439 1.00 0.00 C ATOM 1181 O GLN A 78 -6.880 -15.502 -4.216 1.00 0.00 O ATOM 1182 CB GLN A 78 -3.911 -15.661 -2.985 1.00 0.00 C ATOM 1183 CG GLN A 78 -2.433 -15.538 -3.358 1.00 0.00 C ATOM 1184 CD GLN A 78 -1.792 -16.917 -3.525 1.00 0.00 C ATOM 1185 OE1 GLN A 78 -2.234 -17.907 -2.965 1.00 0.00 O ATOM 1186 NE2 GLN A 78 -0.729 -16.927 -4.323 1.00 0.00 N ATOM 0 H GLN A 78 -3.628 -13.254 -2.463 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.538 -14.610 -4.729 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.023 -15.593 -1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.285 -16.641 -3.283 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.334 -14.973 -4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -1.905 -14.979 -2.586 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -0.412 -16.062 -4.761 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -0.231 -17.800 -4.498 1.00 0.00 H new ATOM 1195 N ALA A 79 -6.747 -14.193 -2.377 1.00 0.00 N ATOM 1196 CA ALA A 79 -8.156 -14.324 -2.046 1.00 0.00 C ATOM 1197 C ALA A 79 -8.996 -13.650 -3.132 1.00 0.00 C ATOM 1198 O ALA A 79 -10.082 -14.122 -3.464 1.00 0.00 O ATOM 1199 CB ALA A 79 -8.411 -13.732 -0.658 1.00 0.00 C ATOM 0 H ALA A 79 -6.210 -13.611 -1.734 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.446 -15.374 -2.011 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.468 -13.830 -0.409 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.813 -14.266 0.081 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.134 -12.678 -0.656 1.00 0.00 H new ATOM 1205 N GLN A 80 -8.462 -12.556 -3.654 1.00 0.00 N ATOM 1206 CA GLN A 80 -9.149 -11.812 -4.696 1.00 0.00 C ATOM 1207 C GLN A 80 -9.420 -12.713 -5.902 1.00 0.00 C ATOM 1208 O GLN A 80 -8.530 -13.429 -6.359 1.00 0.00 O ATOM 1209 CB GLN A 80 -8.348 -10.574 -5.106 1.00 0.00 C ATOM 1210 CG GLN A 80 -8.078 -9.672 -3.900 1.00 0.00 C ATOM 1211 CD GLN A 80 -9.318 -9.563 -3.009 1.00 0.00 C ATOM 1212 OE1 GLN A 80 -9.172 -10.119 -1.809 1.00 0.00 O flip ATOM 1213 NE2 GLN A 80 -10.338 -9.011 -3.385 1.00 0.00 N flip ATOM 0 H GLN A 80 -7.561 -12.167 -3.375 1.00 0.00 H new ATOM 0 HA GLN A 80 -10.105 -11.471 -4.300 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -7.403 -10.880 -5.555 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -8.896 -10.017 -5.866 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.244 -10.071 -3.322 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -7.783 -8.680 -4.242 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -10.383 -8.605 -4.319 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -11.146 -8.956 -2.765 1.00 0.00 H new ATOM 1222 N LYS A 81 -10.653 -12.650 -6.383 1.00 0.00 N ATOM 1223 CA LYS A 81 -11.052 -13.452 -7.527 1.00 0.00 C ATOM 1224 C LYS A 81 -10.859 -12.637 -8.807 1.00 0.00 C ATOM 1225 O LYS A 81 -11.202 -13.095 -9.896 1.00 0.00 O ATOM 1226 CB LYS A 81 -12.477 -13.978 -7.341 1.00 0.00 C ATOM 1227 CG LYS A 81 -12.984 -14.650 -8.619 1.00 0.00 C ATOM 1228 CD LYS A 81 -13.880 -15.846 -8.291 1.00 0.00 C ATOM 1229 CE LYS A 81 -13.524 -17.052 -9.162 1.00 0.00 C ATOM 1230 NZ LYS A 81 -14.409 -18.197 -8.848 1.00 0.00 N ATOM 0 H LYS A 81 -11.389 -12.056 -6.001 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.420 -14.336 -7.613 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -12.501 -14.691 -6.517 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -13.140 -13.156 -7.071 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -13.540 -13.928 -9.218 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.137 -14.980 -9.221 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.772 -16.108 -7.239 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.925 -15.576 -8.447 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.620 -16.789 -10.215 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.484 -17.333 -8.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.154 -19.007 -9.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -14.297 -18.458 -7.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.398 -17.931 -9.028 1.00 0.00 H new ATOM 1244 N VAL A 82 -10.311 -11.444 -8.635 1.00 0.00 N ATOM 1245 CA VAL A 82 -10.068 -10.561 -9.763 1.00 0.00 C ATOM 1246 C VAL A 82 -8.656 -10.803 -10.300 1.00 0.00 C ATOM 1247 O VAL A 82 -7.673 -10.594 -9.590 1.00 0.00 O ATOM 1248 CB VAL A 82 -10.310 -9.107 -9.352 1.00 0.00 C ATOM 1249 CG1 VAL A 82 -9.514 -8.753 -8.094 1.00 0.00 C ATOM 1250 CG2 VAL A 82 -9.977 -8.150 -10.498 1.00 0.00 C ATOM 0 H VAL A 82 -10.028 -11.067 -7.730 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.765 -10.776 -10.573 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.369 -8.997 -9.121 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.704 -7.714 -7.824 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.820 -9.403 -7.275 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.450 -8.889 -8.287 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -10.158 -7.124 -10.179 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -8.929 -8.265 -10.775 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -10.607 -8.379 -11.358 1.00 0.00 H new ATOM 1260 N GLN A 83 -8.599 -11.241 -11.549 1.00 0.00 N ATOM 1261 CA GLN A 83 -7.324 -11.514 -12.189 1.00 0.00 C ATOM 1262 C GLN A 83 -6.666 -10.208 -12.641 1.00 0.00 C ATOM 1263 O GLN A 83 -6.957 -9.705 -13.725 1.00 0.00 O ATOM 1264 CB GLN A 83 -7.495 -12.477 -13.366 1.00 0.00 C ATOM 1265 CG GLN A 83 -8.099 -13.805 -12.904 1.00 0.00 C ATOM 1266 CD GLN A 83 -8.745 -14.550 -14.074 1.00 0.00 C ATOM 1267 OE1 GLN A 83 -9.878 -14.300 -14.453 1.00 0.00 O ATOM 1268 NE2 GLN A 83 -7.964 -15.475 -14.623 1.00 0.00 N ATOM 0 H GLN A 83 -9.416 -11.414 -12.135 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.671 -11.995 -11.461 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.138 -12.024 -14.121 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -6.529 -12.657 -13.837 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.323 -14.426 -12.457 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.844 -13.620 -12.130 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -7.025 -15.633 -14.256 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -8.303 -16.027 -15.411 1.00 0.00 H new ATOM 1277 N VAL A 84 -5.792 -9.697 -11.786 1.00 0.00 N ATOM 1278 CA VAL A 84 -5.091 -8.459 -12.084 1.00 0.00 C ATOM 1279 C VAL A 84 -4.114 -8.696 -13.236 1.00 0.00 C ATOM 1280 O VAL A 84 -3.607 -9.804 -13.407 1.00 0.00 O ATOM 1281 CB VAL A 84 -4.410 -7.927 -10.821 1.00 0.00 C ATOM 1282 CG1 VAL A 84 -3.333 -8.897 -10.330 1.00 0.00 C ATOM 1283 CG2 VAL A 84 -3.825 -6.534 -11.060 1.00 0.00 C ATOM 0 H VAL A 84 -5.553 -10.117 -10.888 1.00 0.00 H new ATOM 0 HA VAL A 84 -5.793 -7.690 -12.407 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.167 -7.843 -10.041 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -2.864 -8.496 -9.431 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.788 -9.861 -10.102 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.579 -9.026 -11.106 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.347 -6.179 -10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.087 -6.582 -11.861 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -4.623 -5.848 -11.342 1.00 0.00 H new ATOM 1293 N SER A 85 -3.878 -7.638 -13.998 1.00 0.00 N ATOM 1294 CA SER A 85 -2.970 -7.717 -15.129 1.00 0.00 C ATOM 1295 C SER A 85 -1.565 -8.083 -14.648 1.00 0.00 C ATOM 1296 O SER A 85 -0.737 -8.545 -15.432 1.00 0.00 O ATOM 1297 CB SER A 85 -2.939 -6.398 -15.904 1.00 0.00 C ATOM 1298 OG SER A 85 -2.449 -5.322 -15.107 1.00 0.00 O ATOM 0 H SER A 85 -4.300 -6.721 -13.854 1.00 0.00 H new ATOM 0 HA SER A 85 -3.330 -8.495 -15.803 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.310 -6.511 -16.787 1.00 0.00 H new ATOM 0 HB3 SER A 85 -3.943 -6.161 -16.256 1.00 0.00 H new ATOM 0 HG SER A 85 -3.103 -5.107 -14.410 1.00 0.00 H new ATOM 1304 N SER A 86 -1.338 -7.862 -13.361 1.00 0.00 N ATOM 1305 CA SER A 86 -0.047 -8.163 -12.766 1.00 0.00 C ATOM 1306 C SER A 86 -0.066 -7.821 -11.275 1.00 0.00 C ATOM 1307 O SER A 86 -0.782 -6.915 -10.852 1.00 0.00 O ATOM 1308 CB SER A 86 1.076 -7.400 -13.472 1.00 0.00 C ATOM 1309 OG SER A 86 2.361 -7.764 -12.977 1.00 0.00 O ATOM 0 H SER A 86 -2.027 -7.478 -12.714 1.00 0.00 H new ATOM 0 HA SER A 86 0.145 -9.229 -12.885 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.031 -7.597 -14.543 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.926 -6.329 -13.339 1.00 0.00 H new ATOM 0 HG SER A 86 3.051 -7.257 -13.454 1.00 0.00 H new ATOM 1315 N GLN A 87 0.730 -8.564 -10.520 1.00 0.00 N ATOM 1316 CA GLN A 87 0.815 -8.350 -9.086 1.00 0.00 C ATOM 1317 C GLN A 87 1.160 -6.890 -8.786 1.00 0.00 C ATOM 1318 O GLN A 87 2.197 -6.392 -9.220 1.00 0.00 O ATOM 1319 CB GLN A 87 1.834 -9.297 -8.449 1.00 0.00 C ATOM 1320 CG GLN A 87 1.205 -10.088 -7.301 1.00 0.00 C ATOM 1321 CD GLN A 87 2.268 -10.877 -6.532 1.00 0.00 C ATOM 1322 OE1 GLN A 87 3.368 -10.410 -6.286 1.00 0.00 O ATOM 1323 NE2 GLN A 87 1.878 -12.095 -6.167 1.00 0.00 N ATOM 0 H GLN A 87 1.322 -9.315 -10.875 1.00 0.00 H new ATOM 0 HA GLN A 87 -0.159 -8.570 -8.648 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.217 -9.985 -9.203 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.685 -8.725 -8.078 1.00 0.00 H new ATOM 0 HG2 GLN A 87 0.692 -9.406 -6.623 1.00 0.00 H new ATOM 0 HG3 GLN A 87 0.453 -10.772 -7.695 1.00 0.00 H new ATOM 0 HE21 GLN A 87 0.942 -12.424 -6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 87 2.514 -12.700 -5.648 1.00 0.00 H new ATOM 1332 N PRO A 88 0.248 -6.228 -8.025 1.00 0.00 N ATOM 1333 CA PRO A 88 0.446 -4.835 -7.662 1.00 0.00 C ATOM 1334 C PRO A 88 1.507 -4.700 -6.568 1.00 0.00 C ATOM 1335 O PRO A 88 1.872 -5.683 -5.926 1.00 0.00 O ATOM 1336 CB PRO A 88 -0.925 -4.345 -7.223 1.00 0.00 C ATOM 1337 CG PRO A 88 -1.735 -5.593 -6.915 1.00 0.00 C ATOM 1338 CD PRO A 88 -0.992 -6.786 -7.492 1.00 0.00 C ATOM 0 HA PRO A 88 0.824 -4.234 -8.489 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.848 -3.703 -6.345 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.399 -3.756 -8.008 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.864 -5.708 -5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.732 -5.518 -7.349 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -0.792 -7.536 -6.727 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.574 -7.275 -8.273 1.00 0.00 H new ATOM 1346 N GLU A 89 1.974 -3.472 -6.390 1.00 0.00 N ATOM 1347 CA GLU A 89 2.986 -3.195 -5.385 1.00 0.00 C ATOM 1348 C GLU A 89 2.336 -3.014 -4.012 1.00 0.00 C ATOM 1349 O GLU A 89 1.455 -2.172 -3.844 1.00 0.00 O ATOM 1350 CB GLU A 89 3.814 -1.966 -5.766 1.00 0.00 C ATOM 1351 CG GLU A 89 5.021 -2.361 -6.619 1.00 0.00 C ATOM 1352 CD GLU A 89 5.003 -1.634 -7.965 1.00 0.00 C ATOM 1353 OE1 GLU A 89 3.888 -1.466 -8.504 1.00 0.00 O ATOM 1354 OE2 GLU A 89 6.105 -1.263 -8.425 1.00 0.00 O ATOM 0 H GLU A 89 1.670 -2.658 -6.925 1.00 0.00 H new ATOM 0 HA GLU A 89 3.663 -4.048 -5.335 1.00 0.00 H new ATOM 0 HB2 GLU A 89 3.191 -1.260 -6.315 1.00 0.00 H new ATOM 0 HB3 GLU A 89 4.153 -1.457 -4.863 1.00 0.00 H new ATOM 0 HG2 GLU A 89 5.941 -2.123 -6.085 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.017 -3.438 -6.784 1.00 0.00 H new ATOM 1361 N LEU A 90 2.795 -3.819 -3.065 1.00 0.00 N ATOM 1362 CA LEU A 90 2.269 -3.758 -1.712 1.00 0.00 C ATOM 1363 C LEU A 90 3.081 -2.749 -0.898 1.00 0.00 C ATOM 1364 O LEU A 90 4.251 -2.985 -0.599 1.00 0.00 O ATOM 1365 CB LEU A 90 2.226 -5.156 -1.091 1.00 0.00 C ATOM 1366 CG LEU A 90 1.093 -6.067 -1.568 1.00 0.00 C ATOM 1367 CD1 LEU A 90 0.667 -5.710 -2.994 1.00 0.00 C ATOM 1368 CD2 LEU A 90 1.484 -7.541 -1.439 1.00 0.00 C ATOM 0 H LEU A 90 3.525 -4.517 -3.208 1.00 0.00 H new ATOM 0 HA LEU A 90 1.238 -3.405 -1.720 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.175 -5.652 -1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.149 -5.049 -0.009 1.00 0.00 H new ATOM 0 HG LEU A 90 0.229 -5.905 -0.923 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -0.139 -6.372 -3.309 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.320 -4.677 -3.022 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.516 -5.826 -3.667 1.00 0.00 H new ATOM 0 HD21 LEU A 90 0.661 -8.167 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.369 -7.737 -2.045 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.701 -7.770 -0.396 1.00 0.00 H new ATOM 1380 N LEU A 91 2.429 -1.645 -0.563 1.00 0.00 N ATOM 1381 CA LEU A 91 3.076 -0.599 0.210 1.00 0.00 C ATOM 1382 C LEU A 91 2.198 -0.240 1.411 1.00 0.00 C ATOM 1383 O LEU A 91 1.026 -0.609 1.458 1.00 0.00 O ATOM 1384 CB LEU A 91 3.415 0.596 -0.683 1.00 0.00 C ATOM 1385 CG LEU A 91 3.857 0.264 -2.110 1.00 0.00 C ATOM 1386 CD1 LEU A 91 3.369 1.326 -3.097 1.00 0.00 C ATOM 1387 CD2 LEU A 91 5.372 0.067 -2.182 1.00 0.00 C ATOM 0 H LEU A 91 1.459 -1.452 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 91 4.028 -0.952 0.605 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.540 1.244 -0.736 1.00 0.00 H new ATOM 0 HB3 LEU A 91 4.208 1.170 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 91 3.395 -0.680 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.697 1.066 -4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.280 1.374 -3.071 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.782 2.296 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.660 -0.168 -3.207 1.00 0.00 H new ATOM 0 HD22 LEU A 91 5.873 0.981 -1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.664 -0.753 -1.526 1.00 0.00 H new ATOM 1399 N ASP A 92 2.799 0.474 2.351 1.00 0.00 N ATOM 1400 CA ASP A 92 2.086 0.886 3.548 1.00 0.00 C ATOM 1401 C ASP A 92 1.520 2.292 3.340 1.00 0.00 C ATOM 1402 O ASP A 92 1.992 3.035 2.480 1.00 0.00 O ATOM 1403 CB ASP A 92 3.021 0.927 4.759 1.00 0.00 C ATOM 1404 CG ASP A 92 2.362 0.584 6.096 1.00 0.00 C ATOM 1405 OD1 ASP A 92 1.129 0.773 6.186 1.00 0.00 O ATOM 1406 OD2 ASP A 92 3.105 0.141 6.998 1.00 0.00 O ATOM 0 H ASP A 92 3.772 0.778 2.308 1.00 0.00 H new ATOM 0 HA ASP A 92 1.289 0.165 3.732 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.844 0.233 4.588 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.455 1.924 4.830 1.00 0.00 H new ATOM 1411 N VAL A 93 0.516 2.616 4.142 1.00 0.00 N ATOM 1412 CA VAL A 93 -0.120 3.920 4.057 1.00 0.00 C ATOM 1413 C VAL A 93 0.957 5.006 4.028 1.00 0.00 C ATOM 1414 O VAL A 93 0.731 6.095 3.503 1.00 0.00 O ATOM 1415 CB VAL A 93 -1.114 4.093 5.206 1.00 0.00 C ATOM 1416 CG1 VAL A 93 -0.414 3.969 6.561 1.00 0.00 C ATOM 1417 CG2 VAL A 93 -1.857 5.426 5.093 1.00 0.00 C ATOM 0 H VAL A 93 0.127 1.998 4.854 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.694 4.007 3.134 1.00 0.00 H new ATOM 0 HB VAL A 93 -1.850 3.292 5.135 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.144 4.096 7.361 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.047 2.985 6.644 1.00 0.00 H new ATOM 0 HG13 VAL A 93 0.354 4.738 6.645 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.558 5.524 5.922 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.140 6.246 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.404 5.459 4.151 1.00 0.00 H new ATOM 1427 N SER A 94 2.104 4.673 4.601 1.00 0.00 N ATOM 1428 CA SER A 94 3.216 5.606 4.648 1.00 0.00 C ATOM 1429 C SER A 94 3.523 6.127 3.242 1.00 0.00 C ATOM 1430 O SER A 94 3.501 7.334 3.005 1.00 0.00 O ATOM 1431 CB SER A 94 4.460 4.952 5.254 1.00 0.00 C ATOM 1432 OG SER A 94 4.160 4.248 6.456 1.00 0.00 O ATOM 0 H SER A 94 2.287 3.769 5.037 1.00 0.00 H new ATOM 0 HA SER A 94 2.932 6.443 5.285 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.897 4.264 4.530 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.209 5.717 5.459 1.00 0.00 H new ATOM 0 HG SER A 94 4.979 3.843 6.811 1.00 0.00 H new ATOM 1438 N TRP A 95 3.800 5.191 2.346 1.00 0.00 N ATOM 1439 CA TRP A 95 4.110 5.540 0.971 1.00 0.00 C ATOM 1440 C TRP A 95 3.084 6.573 0.502 1.00 0.00 C ATOM 1441 O TRP A 95 3.447 7.597 -0.074 1.00 0.00 O ATOM 1442 CB TRP A 95 4.151 4.294 0.084 1.00 0.00 C ATOM 1443 CG TRP A 95 4.557 4.573 -1.364 1.00 0.00 C ATOM 1444 CD1 TRP A 95 5.757 4.947 -1.828 1.00 0.00 C ATOM 1445 CD2 TRP A 95 3.707 4.485 -2.527 1.00 0.00 C ATOM 1446 NE1 TRP A 95 5.743 5.105 -3.198 1.00 0.00 N ATOM 1447 CE2 TRP A 95 4.457 4.815 -3.637 1.00 0.00 C ATOM 1448 CE3 TRP A 95 2.349 4.137 -2.638 1.00 0.00 C ATOM 1449 CZ2 TRP A 95 3.937 4.831 -4.937 1.00 0.00 C ATOM 1450 CZ3 TRP A 95 1.844 4.157 -3.943 1.00 0.00 C ATOM 1451 CH2 TRP A 95 2.586 4.488 -5.071 1.00 0.00 C ATOM 0 H TRP A 95 3.816 4.191 2.546 1.00 0.00 H new ATOM 0 HA TRP A 95 5.105 5.980 0.901 1.00 0.00 H new ATOM 0 HB2 TRP A 95 4.850 3.577 0.515 1.00 0.00 H new ATOM 0 HB3 TRP A 95 3.168 3.824 0.090 1.00 0.00 H new ATOM 0 HD1 TRP A 95 6.626 5.105 -1.207 1.00 0.00 H new ATOM 0 HE1 TRP A 95 6.532 5.384 -3.782 1.00 0.00 H new ATOM 0 HE3 TRP A 95 1.743 3.875 -1.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 4.545 5.094 -5.790 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 0.805 3.897 -4.084 1.00 0.00 H new ATOM 0 HH2 TRP A 95 2.122 4.481 -6.046 1.00 0.00 H new ATOM 1462 N LEU A 96 1.822 6.269 0.767 1.00 0.00 N ATOM 1463 CA LEU A 96 0.740 7.158 0.380 1.00 0.00 C ATOM 1464 C LEU A 96 0.979 8.540 0.991 1.00 0.00 C ATOM 1465 O LEU A 96 1.127 9.525 0.269 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.614 6.548 0.749 1.00 0.00 C ATOM 1467 CG LEU A 96 -1.811 7.022 -0.078 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.452 7.109 -1.563 1.00 0.00 C ATOM 1469 CD2 LEU A 96 -3.032 6.132 0.165 1.00 0.00 C ATOM 0 H LEU A 96 1.524 5.419 1.245 1.00 0.00 H new ATOM 0 HA LEU A 96 0.721 7.286 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.540 5.465 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -0.814 6.765 1.798 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.075 8.028 0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.320 7.448 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.633 7.815 -1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.147 6.126 -1.922 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -3.869 6.491 -0.435 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -2.796 5.106 -0.118 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -3.302 6.165 1.221 1.00 0.00 H new ATOM 1481 N ILE A 97 1.008 8.570 2.315 1.00 0.00 N ATOM 1482 CA ILE A 97 1.226 9.815 3.031 1.00 0.00 C ATOM 1483 C ILE A 97 2.331 10.612 2.335 1.00 0.00 C ATOM 1484 O ILE A 97 2.242 11.833 2.220 1.00 0.00 O ATOM 1485 CB ILE A 97 1.505 9.540 4.510 1.00 0.00 C ATOM 1486 CG1 ILE A 97 0.258 8.997 5.212 1.00 0.00 C ATOM 1487 CG2 ILE A 97 2.055 10.787 5.205 1.00 0.00 C ATOM 1488 CD1 ILE A 97 0.639 8.148 6.427 1.00 0.00 C ATOM 0 H ILE A 97 0.884 7.752 2.911 1.00 0.00 H new ATOM 0 HA ILE A 97 0.326 10.430 3.009 1.00 0.00 H new ATOM 0 HB ILE A 97 2.273 8.769 4.575 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.376 9.826 5.527 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -0.325 8.397 4.513 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.245 10.564 6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.985 11.091 4.725 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.328 11.595 5.131 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -0.265 7.774 6.908 1.00 0.00 H new ATOM 0 HD12 ILE A 97 1.253 7.307 6.105 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.201 8.757 7.135 1.00 0.00 H new ATOM 1500 N GLU A 98 3.347 9.889 1.888 1.00 0.00 N ATOM 1501 CA GLU A 98 4.468 10.513 1.206 1.00 0.00 C ATOM 1502 C GLU A 98 4.049 10.974 -0.191 1.00 0.00 C ATOM 1503 O GLU A 98 4.051 12.170 -0.481 1.00 0.00 O ATOM 1504 CB GLU A 98 5.664 9.563 1.134 1.00 0.00 C ATOM 1505 CG GLU A 98 6.198 9.245 2.533 1.00 0.00 C ATOM 1506 CD GLU A 98 7.383 8.281 2.461 1.00 0.00 C ATOM 1507 OE1 GLU A 98 7.120 7.061 2.398 1.00 0.00 O ATOM 1508 OE2 GLU A 98 8.527 8.786 2.472 1.00 0.00 O ATOM 0 H GLU A 98 3.417 8.876 1.985 1.00 0.00 H new ATOM 0 HA GLU A 98 4.775 11.388 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.370 8.640 0.635 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.454 10.013 0.533 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.504 10.167 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.404 8.807 3.138 1.00 0.00 H new ATOM 1515 N CYS A 99 3.699 10.002 -1.020 1.00 0.00 N ATOM 1516 CA CYS A 99 3.278 10.293 -2.380 1.00 0.00 C ATOM 1517 C CYS A 99 2.367 11.521 -2.349 1.00 0.00 C ATOM 1518 O CYS A 99 2.315 12.285 -3.312 1.00 0.00 O ATOM 1519 CB CYS A 99 2.592 9.090 -3.030 1.00 0.00 C ATOM 1520 SG CYS A 99 3.687 7.626 -2.950 1.00 0.00 S ATOM 0 H CYS A 99 3.698 9.012 -0.776 1.00 0.00 H new ATOM 0 HA CYS A 99 4.152 10.506 -2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 99 1.651 8.879 -2.522 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.349 9.317 -4.068 1.00 0.00 H new ATOM 0 HG CYS A 99 3.952 7.350 -1.708 1.00 0.00 H new ATOM 1526 N ILE A 100 1.672 11.674 -1.231 1.00 0.00 N ATOM 1527 CA ILE A 100 0.765 12.797 -1.062 1.00 0.00 C ATOM 1528 C ILE A 100 1.576 14.064 -0.783 1.00 0.00 C ATOM 1529 O ILE A 100 1.481 15.041 -1.523 1.00 0.00 O ATOM 1530 CB ILE A 100 -0.278 12.485 0.013 1.00 0.00 C ATOM 1531 CG1 ILE A 100 -1.195 11.342 -0.427 1.00 0.00 C ATOM 1532 CG2 ILE A 100 -1.068 13.740 0.391 1.00 0.00 C ATOM 1533 CD1 ILE A 100 -2.158 10.948 0.694 1.00 0.00 C ATOM 0 H ILE A 100 1.719 11.039 -0.434 1.00 0.00 H new ATOM 0 HA ILE A 100 0.202 12.974 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 100 0.245 12.151 0.909 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.761 11.644 -1.308 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.594 10.479 -0.715 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.803 13.491 1.157 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.385 14.497 0.776 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -1.580 14.127 -0.490 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.798 10.134 0.354 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -1.589 10.623 1.565 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -2.774 11.806 0.963 1.00 0.00 H new ATOM 1545 N GLY A 101 2.355 14.006 0.288 1.00 0.00 N ATOM 1546 CA GLY A 101 3.182 15.136 0.673 1.00 0.00 C ATOM 1547 C GLY A 101 4.266 15.405 -0.372 1.00 0.00 C ATOM 1548 O GLY A 101 4.908 16.454 -0.350 1.00 0.00 O ATOM 0 H GLY A 101 2.430 13.194 0.901 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.559 16.023 0.792 1.00 0.00 H new ATOM 0 HA3 GLY A 101 3.645 14.939 1.640 1.00 0.00 H new ATOM 1552 N ALA A 102 4.436 14.440 -1.263 1.00 0.00 N ATOM 1553 CA ALA A 102 5.431 14.559 -2.315 1.00 0.00 C ATOM 1554 C ALA A 102 4.740 14.953 -3.623 1.00 0.00 C ATOM 1555 O ALA A 102 5.319 15.659 -4.447 1.00 0.00 O ATOM 1556 CB ALA A 102 6.205 13.245 -2.438 1.00 0.00 C ATOM 0 H ALA A 102 3.901 13.572 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 102 6.152 15.340 -2.074 1.00 0.00 H new ATOM 0 HB1 ALA A 102 6.951 13.335 -3.227 1.00 0.00 H new ATOM 0 HB2 ALA A 102 6.701 13.025 -1.493 1.00 0.00 H new ATOM 0 HB3 ALA A 102 5.515 12.437 -2.682 1.00 0.00 H new ATOM 1562 N GLY A 103 3.512 14.478 -3.772 1.00 0.00 N ATOM 1563 CA GLY A 103 2.736 14.772 -4.965 1.00 0.00 C ATOM 1564 C GLY A 103 3.206 13.922 -6.147 1.00 0.00 C ATOM 1565 O GLY A 103 2.854 14.197 -7.293 1.00 0.00 O ATOM 0 H GLY A 103 3.035 13.892 -3.087 1.00 0.00 H new ATOM 0 HA2 GLY A 103 1.680 14.582 -4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.829 15.829 -5.213 1.00 0.00 H new ATOM 1569 N LYS A 104 3.996 12.907 -5.829 1.00 0.00 N ATOM 1570 CA LYS A 104 4.518 12.015 -6.850 1.00 0.00 C ATOM 1571 C LYS A 104 4.791 10.643 -6.232 1.00 0.00 C ATOM 1572 O LYS A 104 4.830 10.505 -5.010 1.00 0.00 O ATOM 1573 CB LYS A 104 5.738 12.637 -7.531 1.00 0.00 C ATOM 1574 CG LYS A 104 7.008 12.390 -6.713 1.00 0.00 C ATOM 1575 CD LYS A 104 7.999 11.519 -7.489 1.00 0.00 C ATOM 1576 CE LYS A 104 9.137 11.045 -6.584 1.00 0.00 C ATOM 1577 NZ LYS A 104 9.659 9.740 -7.048 1.00 0.00 N ATOM 0 H LYS A 104 4.287 12.683 -4.878 1.00 0.00 H new ATOM 0 HA LYS A 104 3.782 11.867 -7.640 1.00 0.00 H new ATOM 0 HB2 LYS A 104 5.856 12.215 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 104 5.583 13.709 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.474 13.343 -6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 104 6.750 11.904 -5.772 1.00 0.00 H new ATOM 0 HD2 LYS A 104 7.480 10.657 -7.909 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.407 12.084 -8.327 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.939 11.784 -6.581 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.781 10.957 -5.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.453 9.449 -6.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.905 9.026 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 9.987 9.827 -8.031 1.00 0.00 H new ATOM 1591 N PRO A 105 4.978 9.636 -7.127 1.00 0.00 N ATOM 1592 CA PRO A 105 5.246 8.279 -6.682 1.00 0.00 C ATOM 1593 C PRO A 105 6.684 8.142 -6.176 1.00 0.00 C ATOM 1594 O PRO A 105 7.577 7.759 -6.930 1.00 0.00 O ATOM 1595 CB PRO A 105 4.956 7.404 -7.891 1.00 0.00 C ATOM 1596 CG PRO A 105 4.986 8.332 -9.094 1.00 0.00 C ATOM 1597 CD PRO A 105 4.938 9.762 -8.581 1.00 0.00 C ATOM 0 HA PRO A 105 4.626 7.984 -5.835 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.700 6.614 -7.989 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.985 6.918 -7.797 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.890 8.167 -9.681 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.139 8.133 -9.751 1.00 0.00 H new ATOM 0 HD2 PRO A 105 5.782 10.344 -8.951 1.00 0.00 H new ATOM 0 HD3 PRO A 105 4.032 10.270 -8.910 1.00 0.00 H new ATOM 1605 N VAL A 106 6.862 8.463 -4.903 1.00 0.00 N ATOM 1606 CA VAL A 106 8.176 8.381 -4.287 1.00 0.00 C ATOM 1607 C VAL A 106 8.763 6.990 -4.534 1.00 0.00 C ATOM 1608 O VAL A 106 8.029 6.007 -4.615 1.00 0.00 O ATOM 1609 CB VAL A 106 8.080 8.735 -2.802 1.00 0.00 C ATOM 1610 CG1 VAL A 106 7.616 10.180 -2.612 1.00 0.00 C ATOM 1611 CG2 VAL A 106 7.159 7.761 -2.064 1.00 0.00 C ATOM 0 H VAL A 106 6.118 8.780 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 106 8.856 9.105 -4.736 1.00 0.00 H new ATOM 0 HB VAL A 106 9.077 8.644 -2.371 1.00 0.00 H new ATOM 0 HG11 VAL A 106 7.556 10.406 -1.547 1.00 0.00 H new ATOM 0 HG12 VAL A 106 8.327 10.856 -3.087 1.00 0.00 H new ATOM 0 HG13 VAL A 106 6.634 10.309 -3.066 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.109 8.035 -1.010 1.00 0.00 H new ATOM 0 HG22 VAL A 106 6.160 7.805 -2.499 1.00 0.00 H new ATOM 0 HG23 VAL A 106 7.551 6.748 -2.157 1.00 0.00 H new ATOM 1621 N GLU A 107 10.083 6.952 -4.647 1.00 0.00 N ATOM 1622 CA GLU A 107 10.778 5.698 -4.883 1.00 0.00 C ATOM 1623 C GLU A 107 10.308 4.635 -3.888 1.00 0.00 C ATOM 1624 O GLU A 107 9.860 4.963 -2.790 1.00 0.00 O ATOM 1625 CB GLU A 107 12.294 5.889 -4.806 1.00 0.00 C ATOM 1626 CG GLU A 107 12.768 5.938 -3.352 1.00 0.00 C ATOM 1627 CD GLU A 107 13.954 6.891 -3.194 1.00 0.00 C ATOM 1628 OE1 GLU A 107 13.961 7.913 -3.914 1.00 0.00 O ATOM 1629 OE2 GLU A 107 14.826 6.578 -2.355 1.00 0.00 O ATOM 0 H GLU A 107 10.689 7.770 -4.579 1.00 0.00 H new ATOM 0 HA GLU A 107 10.538 5.356 -5.890 1.00 0.00 H new ATOM 0 HB2 GLU A 107 12.794 5.073 -5.328 1.00 0.00 H new ATOM 0 HB3 GLU A 107 12.574 6.811 -5.315 1.00 0.00 H new ATOM 0 HG2 GLU A 107 11.949 6.261 -2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 107 13.054 4.938 -3.025 1.00 0.00 H new ATOM 1636 N MET A 108 10.425 3.384 -4.308 1.00 0.00 N ATOM 1637 CA MET A 108 10.018 2.271 -3.467 1.00 0.00 C ATOM 1638 C MET A 108 11.230 1.605 -2.814 1.00 0.00 C ATOM 1639 O MET A 108 11.953 0.851 -3.464 1.00 0.00 O ATOM 1640 CB MET A 108 9.262 1.243 -4.311 1.00 0.00 C ATOM 1641 CG MET A 108 7.759 1.525 -4.303 1.00 0.00 C ATOM 1642 SD MET A 108 6.917 0.384 -5.388 1.00 0.00 S ATOM 1643 CE MET A 108 6.719 1.417 -6.830 1.00 0.00 C ATOM 0 H MET A 108 10.796 3.116 -5.220 1.00 0.00 H new ATOM 0 HA MET A 108 9.370 2.654 -2.679 1.00 0.00 H new ATOM 0 HB2 MET A 108 9.634 1.264 -5.335 1.00 0.00 H new ATOM 0 HB3 MET A 108 9.450 0.241 -3.924 1.00 0.00 H new ATOM 0 HG2 MET A 108 7.369 1.431 -3.290 1.00 0.00 H new ATOM 0 HG3 MET A 108 7.571 2.550 -4.623 1.00 0.00 H new ATOM 0 HE1 MET A 108 5.879 1.056 -7.424 1.00 0.00 H new ATOM 0 HE2 MET A 108 6.528 2.444 -6.518 1.00 0.00 H new ATOM 0 HE3 MET A 108 7.629 1.383 -7.430 1.00 0.00 H new ATOM 1653 N THR A 109 11.415 1.906 -1.537 1.00 0.00 N ATOM 1654 CA THR A 109 12.527 1.345 -0.789 1.00 0.00 C ATOM 1655 C THR A 109 12.077 0.107 -0.011 1.00 0.00 C ATOM 1656 O THR A 109 10.979 -0.402 -0.231 1.00 0.00 O ATOM 1657 CB THR A 109 13.101 2.448 0.103 1.00 0.00 C ATOM 1658 OG1 THR A 109 11.955 3.024 0.723 1.00 0.00 O ATOM 1659 CG2 THR A 109 13.706 3.599 -0.704 1.00 0.00 C ATOM 0 H THR A 109 10.813 2.531 -1.001 1.00 0.00 H new ATOM 0 HA THR A 109 13.318 1.001 -1.455 1.00 0.00 H new ATOM 0 HB THR A 109 13.862 2.025 0.758 1.00 0.00 H new ATOM 0 HG1 THR A 109 12.236 3.748 1.321 1.00 0.00 H new ATOM 0 HG21 THR A 109 14.099 4.354 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 109 14.514 3.219 -1.330 1.00 0.00 H new ATOM 0 HG23 THR A 109 12.937 4.044 -1.335 1.00 0.00 H new ATOM 1667 N GLY A 110 12.948 -0.340 0.881 1.00 0.00 N ATOM 1668 CA GLY A 110 12.653 -1.509 1.693 1.00 0.00 C ATOM 1669 C GLY A 110 11.773 -1.139 2.889 1.00 0.00 C ATOM 1670 O GLY A 110 11.476 -1.985 3.731 1.00 0.00 O ATOM 0 H GLY A 110 13.858 0.085 1.060 1.00 0.00 H new ATOM 0 HA2 GLY A 110 12.149 -2.261 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.583 -1.955 2.046 1.00 0.00 H new ATOM 1674 N LYS A 111 11.381 0.126 2.925 1.00 0.00 N ATOM 1675 CA LYS A 111 10.541 0.619 4.003 1.00 0.00 C ATOM 1676 C LYS A 111 9.086 0.662 3.532 1.00 0.00 C ATOM 1677 O LYS A 111 8.225 -0.004 4.104 1.00 0.00 O ATOM 1678 CB LYS A 111 11.061 1.963 4.516 1.00 0.00 C ATOM 1679 CG LYS A 111 12.473 1.822 5.089 1.00 0.00 C ATOM 1680 CD LYS A 111 13.500 2.521 4.195 1.00 0.00 C ATOM 1681 CE LYS A 111 13.430 4.040 4.364 1.00 0.00 C ATOM 1682 NZ LYS A 111 14.792 4.615 4.446 1.00 0.00 N ATOM 0 H LYS A 111 11.630 0.825 2.225 1.00 0.00 H new ATOM 0 HA LYS A 111 10.580 -0.058 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 111 11.065 2.689 3.703 1.00 0.00 H new ATOM 0 HB3 LYS A 111 10.390 2.348 5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 111 12.507 2.250 6.091 1.00 0.00 H new ATOM 0 HG3 LYS A 111 12.727 0.766 5.184 1.00 0.00 H new ATOM 0 HD2 LYS A 111 14.502 2.170 4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.319 2.259 3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.892 4.481 3.525 1.00 0.00 H new ATOM 0 HE3 LYS A 111 12.870 4.286 5.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.727 5.647 4.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 15.293 4.207 5.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 15.314 4.396 3.574 1.00 0.00 H new ATOM 1696 N HIS A 112 8.857 1.452 2.493 1.00 0.00 N ATOM 1697 CA HIS A 112 7.522 1.590 1.938 1.00 0.00 C ATOM 1698 C HIS A 112 6.883 0.208 1.786 1.00 0.00 C ATOM 1699 O HIS A 112 5.722 0.014 2.143 1.00 0.00 O ATOM 1700 CB HIS A 112 7.557 2.375 0.625 1.00 0.00 C ATOM 1701 CG HIS A 112 8.266 3.705 0.723 1.00 0.00 C ATOM 1702 ND1 HIS A 112 8.864 4.318 -0.364 1.00 0.00 N ATOM 1703 CD2 HIS A 112 8.464 4.532 1.789 1.00 0.00 C ATOM 1704 CE1 HIS A 112 9.396 5.461 0.041 1.00 0.00 C ATOM 1705 NE2 HIS A 112 9.148 5.592 1.376 1.00 0.00 N ATOM 0 H HIS A 112 9.574 2.003 2.021 1.00 0.00 H new ATOM 0 HA HIS A 112 6.899 2.167 2.622 1.00 0.00 H new ATOM 0 HB2 HIS A 112 8.048 1.768 -0.136 1.00 0.00 H new ATOM 0 HB3 HIS A 112 6.535 2.544 0.287 1.00 0.00 H new ATOM 0 HD1 HIS A 112 8.890 3.952 -1.316 1.00 0.00 H new ATOM 0 HD2 HIS A 112 8.122 4.355 2.798 1.00 0.00 H new ATOM 0 HE1 HIS A 112 9.932 6.166 -0.577 1.00 0.00 H new ATOM 1713 N GLN A 113 7.670 -0.716 1.255 1.00 0.00 N ATOM 1714 CA GLN A 113 7.196 -2.074 1.051 1.00 0.00 C ATOM 1715 C GLN A 113 6.995 -2.774 2.396 1.00 0.00 C ATOM 1716 O GLN A 113 7.934 -2.897 3.182 1.00 0.00 O ATOM 1717 CB GLN A 113 8.159 -2.863 0.161 1.00 0.00 C ATOM 1718 CG GLN A 113 8.414 -2.128 -1.157 1.00 0.00 C ATOM 1719 CD GLN A 113 7.508 -2.663 -2.268 1.00 0.00 C ATOM 1720 OE1 GLN A 113 6.772 -3.621 -2.097 1.00 0.00 O ATOM 1721 NE2 GLN A 113 7.602 -1.992 -3.412 1.00 0.00 N ATOM 0 H GLN A 113 8.632 -0.551 0.960 1.00 0.00 H new ATOM 0 HA GLN A 113 6.234 -2.029 0.540 1.00 0.00 H new ATOM 0 HB2 GLN A 113 9.102 -3.015 0.685 1.00 0.00 H new ATOM 0 HB3 GLN A 113 7.745 -3.850 -0.043 1.00 0.00 H new ATOM 0 HG2 GLN A 113 8.238 -1.061 -1.022 1.00 0.00 H new ATOM 0 HG3 GLN A 113 9.458 -2.245 -1.447 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.239 -1.199 -3.487 1.00 0.00 H new ATOM 0 HE22 GLN A 113 7.037 -2.270 -4.214 1.00 0.00 H new ATOM 1730 N LEU A 114 5.766 -3.215 2.620 1.00 0.00 N ATOM 1731 CA LEU A 114 5.431 -3.900 3.857 1.00 0.00 C ATOM 1732 C LEU A 114 6.555 -4.872 4.219 1.00 0.00 C ATOM 1733 O LEU A 114 7.257 -4.674 5.210 1.00 0.00 O ATOM 1734 CB LEU A 114 4.056 -4.563 3.747 1.00 0.00 C ATOM 1735 CG LEU A 114 2.898 -3.645 3.353 1.00 0.00 C ATOM 1736 CD1 LEU A 114 3.077 -2.249 3.953 1.00 0.00 C ATOM 1737 CD2 LEU A 114 2.727 -3.598 1.834 1.00 0.00 C ATOM 0 H LEU A 114 4.990 -3.111 1.966 1.00 0.00 H new ATOM 0 HA LEU A 114 5.351 -3.186 4.677 1.00 0.00 H new ATOM 0 HB2 LEU A 114 4.120 -5.368 3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.819 -5.023 4.706 1.00 0.00 H new ATOM 0 HG LEU A 114 1.979 -4.059 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 114 2.240 -1.616 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.111 -2.322 5.040 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.008 -1.813 3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 114 1.897 -2.938 1.582 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.642 -3.222 1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.520 -4.601 1.460 1.00 0.00 H new ATOM 1749 N SER A 115 6.692 -5.901 3.396 1.00 0.00 N ATOM 1750 CA SER A 115 7.720 -6.904 3.616 1.00 0.00 C ATOM 1751 C SER A 115 7.533 -7.551 4.990 1.00 0.00 C ATOM 1752 O SER A 115 8.029 -7.041 5.993 1.00 0.00 O ATOM 1753 CB SER A 115 9.119 -6.294 3.503 1.00 0.00 C ATOM 1754 OG SER A 115 9.984 -7.089 2.697 1.00 0.00 O ATOM 0 H SER A 115 6.108 -6.062 2.575 1.00 0.00 H new ATOM 0 HA SER A 115 7.623 -7.668 2.845 1.00 0.00 H new ATOM 0 HB2 SER A 115 9.045 -5.293 3.077 1.00 0.00 H new ATOM 0 HB3 SER A 115 9.549 -6.186 4.499 1.00 0.00 H new ATOM 0 HG SER A 115 10.866 -6.665 2.648 1.00 0.00 H new ATOM 1760 N GLY A 116 6.817 -8.666 4.991 1.00 0.00 N ATOM 1761 CA GLY A 116 6.558 -9.389 6.224 1.00 0.00 C ATOM 1762 C GLY A 116 7.597 -10.491 6.442 1.00 0.00 C ATOM 1763 O GLY A 116 8.268 -10.911 5.501 1.00 0.00 O ATOM 0 H GLY A 116 6.408 -9.086 4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 116 6.575 -8.697 7.066 1.00 0.00 H new ATOM 0 HA3 GLY A 116 5.560 -9.826 6.191 1.00 0.00 H new ATOM 1767 N PRO A 117 7.699 -10.939 7.722 1.00 0.00 N ATOM 1768 CA PRO A 117 8.644 -11.984 8.076 1.00 0.00 C ATOM 1769 C PRO A 117 8.153 -13.353 7.599 1.00 0.00 C ATOM 1770 O PRO A 117 6.968 -13.527 7.318 1.00 0.00 O ATOM 1771 CB PRO A 117 8.782 -11.896 9.587 1.00 0.00 C ATOM 1772 CG PRO A 117 7.567 -11.121 10.071 1.00 0.00 C ATOM 1773 CD PRO A 117 6.921 -10.465 8.862 1.00 0.00 C ATOM 0 HA PRO A 117 9.613 -11.855 7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 117 8.816 -12.889 10.035 1.00 0.00 H new ATOM 0 HB3 PRO A 117 9.706 -11.389 9.866 1.00 0.00 H new ATOM 0 HG2 PRO A 117 6.861 -11.788 10.566 1.00 0.00 H new ATOM 0 HG3 PRO A 117 7.861 -10.368 10.802 1.00 0.00 H new ATOM 0 HD2 PRO A 117 5.872 -10.749 8.771 1.00 0.00 H new ATOM 0 HD3 PRO A 117 6.952 -9.378 8.938 1.00 0.00 H new ATOM 1781 N SER A 118 9.088 -14.288 7.522 1.00 0.00 N ATOM 1782 CA SER A 118 8.764 -15.635 7.085 1.00 0.00 C ATOM 1783 C SER A 118 9.976 -16.551 7.270 1.00 0.00 C ATOM 1784 O SER A 118 11.114 -16.084 7.290 1.00 0.00 O ATOM 1785 CB SER A 118 8.310 -15.646 5.624 1.00 0.00 C ATOM 1786 OG SER A 118 6.890 -15.658 5.506 1.00 0.00 O ATOM 0 H SER A 118 10.070 -14.139 7.755 1.00 0.00 H new ATOM 0 HA SER A 118 7.940 -16.004 7.696 1.00 0.00 H new ATOM 0 HB2 SER A 118 8.709 -14.769 5.114 1.00 0.00 H new ATOM 0 HB3 SER A 118 8.723 -16.521 5.123 1.00 0.00 H new ATOM 0 HG SER A 118 6.509 -14.956 6.074 1.00 0.00 H new ATOM 1792 N SER A 119 9.690 -17.838 7.402 1.00 0.00 N ATOM 1793 CA SER A 119 10.742 -18.823 7.585 1.00 0.00 C ATOM 1794 C SER A 119 11.416 -19.125 6.244 1.00 0.00 C ATOM 1795 O SER A 119 10.796 -19.697 5.349 1.00 0.00 O ATOM 1796 CB SER A 119 10.191 -20.109 8.203 1.00 0.00 C ATOM 1797 OG SER A 119 9.007 -20.553 7.546 1.00 0.00 O ATOM 0 H SER A 119 8.745 -18.221 7.386 1.00 0.00 H new ATOM 0 HA SER A 119 11.481 -18.410 8.271 1.00 0.00 H new ATOM 0 HB2 SER A 119 10.949 -20.890 8.150 1.00 0.00 H new ATOM 0 HB3 SER A 119 9.979 -19.942 9.259 1.00 0.00 H new ATOM 0 HG SER A 119 9.119 -20.467 6.576 1.00 0.00 H new ATOM 1803 N GLY A 120 12.676 -18.727 6.149 1.00 0.00 N ATOM 1804 CA GLY A 120 13.441 -18.948 4.933 1.00 0.00 C ATOM 1805 C GLY A 120 13.648 -17.638 4.171 1.00 0.00 C ATOM 1806 O GLY A 120 14.763 -17.328 3.754 1.00 0.00 O ATOM 0 H GLY A 120 13.187 -18.253 6.894 1.00 0.00 H new ATOM 0 HA2 GLY A 120 14.408 -19.385 5.182 1.00 0.00 H new ATOM 0 HA3 GLY A 120 12.921 -19.665 4.297 1.00 0.00 H new TER 1810 GLY A 120