USER MOD reduce.3.24.130724 H: found=0, std=0, add=594, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 74 SER OG : rot 180:sc= -0.152 USER MOD Set 1.2: A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.00926 (180deg=0) USER MOD Single : A 2 SER OG : rot 66:sc= 1.21 USER MOD Single : A 3 SER OG : rot 180:sc= -0.161 USER MOD Single : A 5 SER OG : rot 180:sc= -0.155 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.00842 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 MET CE :methyl 143:sc= -3.06 (180deg=-5.05!) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.063 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -0.351 K(o=-0.35,f=-3!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0.12) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot -120:sc= 0.0331! USER MOD Single : A 68 ASN : amide:sc= -0.0933 K(o=-0.093,f=-0.71) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 34:sc= 0.278 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -41.244 15.981 -40.032 1.00 0.00 N ATOM 2 CA GLY A 1 -40.769 17.351 -39.936 1.00 0.00 C ATOM 3 C GLY A 1 -41.262 18.013 -38.648 1.00 0.00 C ATOM 4 O GLY A 1 -42.423 17.859 -38.272 1.00 0.00 O ATOM 0 H1 GLY A 1 -41.473 15.761 -41.023 1.00 0.00 H new ATOM 0 H2 GLY A 1 -40.504 15.333 -39.696 1.00 0.00 H new ATOM 0 H3 GLY A 1 -42.096 15.867 -39.447 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -39.679 17.365 -39.962 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -41.116 17.921 -40.798 1.00 0.00 H new ATOM 8 N SER A 2 -40.356 18.737 -38.008 1.00 0.00 N ATOM 9 CA SER A 2 -40.685 19.424 -36.770 1.00 0.00 C ATOM 10 C SER A 2 -39.452 20.156 -36.235 1.00 0.00 C ATOM 11 O SER A 2 -38.324 19.826 -36.596 1.00 0.00 O ATOM 12 CB SER A 2 -41.218 18.445 -35.722 1.00 0.00 C ATOM 13 OG SER A 2 -42.640 18.360 -35.746 1.00 0.00 O ATOM 0 H SER A 2 -39.394 18.863 -38.323 1.00 0.00 H new ATOM 0 HA SER A 2 -41.469 20.151 -36.980 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.793 17.457 -35.899 1.00 0.00 H new ATOM 0 HB3 SER A 2 -40.890 18.760 -34.731 1.00 0.00 H new ATOM 0 HG SER A 2 -42.930 17.961 -36.593 1.00 0.00 H new ATOM 19 N SER A 3 -39.710 21.136 -35.381 1.00 0.00 N ATOM 20 CA SER A 3 -38.636 21.917 -34.792 1.00 0.00 C ATOM 21 C SER A 3 -39.190 22.817 -33.686 1.00 0.00 C ATOM 22 O SER A 3 -40.403 22.981 -33.563 1.00 0.00 O ATOM 23 CB SER A 3 -37.921 22.758 -35.852 1.00 0.00 C ATOM 24 OG SER A 3 -36.808 23.465 -35.312 1.00 0.00 O ATOM 0 H SER A 3 -40.647 21.407 -35.083 1.00 0.00 H new ATOM 0 HA SER A 3 -37.909 21.229 -34.362 1.00 0.00 H new ATOM 0 HB2 SER A 3 -37.581 22.110 -36.660 1.00 0.00 H new ATOM 0 HB3 SER A 3 -38.625 23.468 -36.287 1.00 0.00 H new ATOM 0 HG SER A 3 -36.378 23.988 -36.020 1.00 0.00 H new ATOM 30 N GLY A 4 -38.274 23.377 -32.908 1.00 0.00 N ATOM 31 CA GLY A 4 -38.656 24.256 -31.816 1.00 0.00 C ATOM 32 C GLY A 4 -37.718 24.083 -30.620 1.00 0.00 C ATOM 33 O GLY A 4 -37.285 22.971 -30.322 1.00 0.00 O ATOM 0 H GLY A 4 -37.269 23.239 -33.013 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -38.634 25.292 -32.154 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -39.681 24.042 -31.513 1.00 0.00 H new ATOM 37 N SER A 5 -37.431 25.199 -29.967 1.00 0.00 N ATOM 38 CA SER A 5 -36.552 25.185 -28.810 1.00 0.00 C ATOM 39 C SER A 5 -36.477 26.583 -28.193 1.00 0.00 C ATOM 40 O SER A 5 -36.903 27.560 -28.807 1.00 0.00 O ATOM 41 CB SER A 5 -35.153 24.695 -29.187 1.00 0.00 C ATOM 42 OG SER A 5 -34.293 24.613 -28.054 1.00 0.00 O ATOM 0 H SER A 5 -37.792 26.120 -30.217 1.00 0.00 H new ATOM 0 HA SER A 5 -36.964 24.493 -28.076 1.00 0.00 H new ATOM 0 HB2 SER A 5 -35.227 23.715 -29.658 1.00 0.00 H new ATOM 0 HB3 SER A 5 -34.719 25.371 -29.924 1.00 0.00 H new ATOM 0 HG SER A 5 -33.410 24.295 -28.336 1.00 0.00 H new ATOM 48 N SER A 6 -35.931 26.634 -26.987 1.00 0.00 N ATOM 49 CA SER A 6 -35.794 27.897 -26.280 1.00 0.00 C ATOM 50 C SER A 6 -34.968 27.697 -25.008 1.00 0.00 C ATOM 51 O SER A 6 -35.017 26.634 -24.392 1.00 0.00 O ATOM 52 CB SER A 6 -37.163 28.488 -25.937 1.00 0.00 C ATOM 53 OG SER A 6 -37.202 29.897 -26.143 1.00 0.00 O ATOM 0 H SER A 6 -35.578 25.822 -26.481 1.00 0.00 H new ATOM 0 HA SER A 6 -35.279 28.601 -26.934 1.00 0.00 H new ATOM 0 HB2 SER A 6 -37.928 28.011 -26.550 1.00 0.00 H new ATOM 0 HB3 SER A 6 -37.403 28.267 -24.897 1.00 0.00 H new ATOM 0 HG SER A 6 -38.093 30.236 -25.915 1.00 0.00 H new ATOM 59 N GLY A 7 -34.228 28.737 -24.652 1.00 0.00 N ATOM 60 CA GLY A 7 -33.392 28.689 -23.464 1.00 0.00 C ATOM 61 C GLY A 7 -31.913 28.837 -23.828 1.00 0.00 C ATOM 62 O GLY A 7 -31.516 28.552 -24.957 1.00 0.00 O ATOM 0 H GLY A 7 -34.190 29.618 -25.165 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -33.683 29.485 -22.778 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -33.549 27.745 -22.942 1.00 0.00 H new ATOM 66 N THR A 8 -31.138 29.281 -22.850 1.00 0.00 N ATOM 67 CA THR A 8 -29.711 29.469 -23.052 1.00 0.00 C ATOM 68 C THR A 8 -28.915 28.534 -22.140 1.00 0.00 C ATOM 69 O THR A 8 -28.096 28.988 -21.343 1.00 0.00 O ATOM 70 CB THR A 8 -29.394 30.950 -22.831 1.00 0.00 C ATOM 71 OG1 THR A 8 -30.039 31.263 -21.600 1.00 0.00 O ATOM 72 CG2 THR A 8 -30.083 31.856 -23.854 1.00 0.00 C ATOM 0 H THR A 8 -31.471 29.516 -21.915 1.00 0.00 H new ATOM 0 HA THR A 8 -29.417 29.207 -24.068 1.00 0.00 H new ATOM 0 HB THR A 8 -28.316 31.101 -22.881 1.00 0.00 H new ATOM 0 HG1 THR A 8 -29.883 32.205 -21.379 1.00 0.00 H new ATOM 0 HG21 THR A 8 -29.825 32.895 -23.652 1.00 0.00 H new ATOM 0 HG22 THR A 8 -29.753 31.589 -24.858 1.00 0.00 H new ATOM 0 HG23 THR A 8 -31.163 31.730 -23.782 1.00 0.00 H new ATOM 80 N SER A 9 -29.183 27.245 -22.288 1.00 0.00 N ATOM 81 CA SER A 9 -28.502 26.242 -21.488 1.00 0.00 C ATOM 82 C SER A 9 -28.883 24.841 -21.970 1.00 0.00 C ATOM 83 O SER A 9 -30.059 24.555 -22.191 1.00 0.00 O ATOM 84 CB SER A 9 -28.836 26.402 -20.003 1.00 0.00 C ATOM 85 OG SER A 9 -30.203 26.110 -19.729 1.00 0.00 O ATOM 0 H SER A 9 -29.863 26.872 -22.951 1.00 0.00 H new ATOM 0 HA SER A 9 -27.428 26.381 -21.608 1.00 0.00 H new ATOM 0 HB2 SER A 9 -28.199 25.741 -19.415 1.00 0.00 H new ATOM 0 HB3 SER A 9 -28.613 27.422 -19.689 1.00 0.00 H new ATOM 0 HG SER A 9 -30.376 26.222 -18.771 1.00 0.00 H new ATOM 91 N SER A 10 -27.867 24.004 -22.118 1.00 0.00 N ATOM 92 CA SER A 10 -28.081 22.639 -22.569 1.00 0.00 C ATOM 93 C SER A 10 -26.784 21.837 -22.443 1.00 0.00 C ATOM 94 O SER A 10 -25.986 21.790 -23.377 1.00 0.00 O ATOM 95 CB SER A 10 -28.585 22.610 -24.014 1.00 0.00 C ATOM 96 OG SER A 10 -28.644 21.283 -24.531 1.00 0.00 O ATOM 0 H SER A 10 -26.893 24.244 -21.934 1.00 0.00 H new ATOM 0 HA SER A 10 -28.844 22.185 -21.937 1.00 0.00 H new ATOM 0 HB2 SER A 10 -29.576 23.062 -24.062 1.00 0.00 H new ATOM 0 HB3 SER A 10 -27.928 23.214 -24.640 1.00 0.00 H new ATOM 0 HG SER A 10 -28.972 21.306 -25.454 1.00 0.00 H new ATOM 102 N ASN A 11 -26.615 21.225 -21.280 1.00 0.00 N ATOM 103 CA ASN A 11 -25.430 20.427 -21.019 1.00 0.00 C ATOM 104 C ASN A 11 -25.681 19.529 -19.807 1.00 0.00 C ATOM 105 O ASN A 11 -25.585 19.978 -18.666 1.00 0.00 O ATOM 106 CB ASN A 11 -24.225 21.317 -20.706 1.00 0.00 C ATOM 107 CG ASN A 11 -23.565 21.819 -21.992 1.00 0.00 C ATOM 108 OD1 ASN A 11 -22.861 21.099 -22.681 1.00 0.00 O ATOM 109 ND2 ASN A 11 -23.831 23.091 -22.276 1.00 0.00 N ATOM 0 H ASN A 11 -27.280 21.266 -20.508 1.00 0.00 H new ATOM 0 HA ASN A 11 -25.220 19.835 -21.910 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -24.543 22.166 -20.101 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -23.499 20.758 -20.115 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -23.437 23.520 -23.114 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -24.429 23.638 -21.656 1.00 0.00 H new ATOM 116 N PRO A 12 -26.007 18.242 -20.103 1.00 0.00 N ATOM 117 CA PRO A 12 -26.273 17.276 -19.050 1.00 0.00 C ATOM 118 C PRO A 12 -24.975 16.829 -18.376 1.00 0.00 C ATOM 119 O PRO A 12 -24.919 16.696 -17.154 1.00 0.00 O ATOM 120 CB PRO A 12 -27.008 16.137 -19.738 1.00 0.00 C ATOM 121 CG PRO A 12 -26.718 16.290 -21.222 1.00 0.00 C ATOM 122 CD PRO A 12 -26.130 17.674 -21.442 1.00 0.00 C ATOM 0 HA PRO A 12 -26.875 17.690 -18.241 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -26.663 15.171 -19.370 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -28.079 16.188 -19.542 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -26.021 15.522 -21.556 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -27.631 16.166 -21.804 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -25.161 17.618 -21.939 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -26.777 18.283 -22.073 1.00 0.00 H new ATOM 130 N VAL A 13 -23.962 16.608 -19.201 1.00 0.00 N ATOM 131 CA VAL A 13 -22.668 16.178 -18.700 1.00 0.00 C ATOM 132 C VAL A 13 -22.871 15.102 -17.631 1.00 0.00 C ATOM 133 O VAL A 13 -22.251 15.151 -16.570 1.00 0.00 O ATOM 134 CB VAL A 13 -21.877 17.385 -18.190 1.00 0.00 C ATOM 135 CG1 VAL A 13 -22.577 18.034 -16.995 1.00 0.00 C ATOM 136 CG2 VAL A 13 -20.442 16.990 -17.837 1.00 0.00 C ATOM 0 H VAL A 13 -24.012 16.719 -20.214 1.00 0.00 H new ATOM 0 HA VAL A 13 -22.077 15.733 -19.501 1.00 0.00 H new ATOM 0 HB VAL A 13 -21.834 18.121 -18.993 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -21.994 18.889 -16.652 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -23.571 18.368 -17.293 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -22.666 17.308 -16.187 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -19.902 17.866 -17.477 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -20.456 16.227 -17.059 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -19.945 16.596 -18.723 1.00 0.00 H new ATOM 146 N LEU A 14 -23.743 14.156 -17.948 1.00 0.00 N ATOM 147 CA LEU A 14 -24.036 13.070 -17.028 1.00 0.00 C ATOM 148 C LEU A 14 -24.213 11.772 -17.818 1.00 0.00 C ATOM 149 O LEU A 14 -25.324 11.256 -17.929 1.00 0.00 O ATOM 150 CB LEU A 14 -25.237 13.423 -16.148 1.00 0.00 C ATOM 151 CG LEU A 14 -25.123 13.038 -14.672 1.00 0.00 C ATOM 152 CD1 LEU A 14 -24.814 11.548 -14.516 1.00 0.00 C ATOM 153 CD2 LEU A 14 -24.094 13.915 -13.955 1.00 0.00 C ATOM 0 H LEU A 14 -24.256 14.119 -18.829 1.00 0.00 H new ATOM 0 HA LEU A 14 -23.202 12.915 -16.343 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -25.405 14.498 -16.211 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -26.121 12.938 -16.562 1.00 0.00 H new ATOM 0 HG LEU A 14 -26.087 13.218 -14.197 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -24.738 11.301 -13.457 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -25.613 10.961 -14.969 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -23.870 11.318 -15.011 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -24.032 13.621 -12.907 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -23.119 13.790 -14.425 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -24.397 14.960 -14.021 1.00 0.00 H new ATOM 165 N GLU A 15 -23.101 11.283 -18.347 1.00 0.00 N ATOM 166 CA GLU A 15 -23.120 10.055 -19.123 1.00 0.00 C ATOM 167 C GLU A 15 -21.709 9.472 -19.229 1.00 0.00 C ATOM 168 O GLU A 15 -20.968 9.795 -20.156 1.00 0.00 O ATOM 169 CB GLU A 15 -23.720 10.292 -20.510 1.00 0.00 C ATOM 170 CG GLU A 15 -24.352 9.012 -21.061 1.00 0.00 C ATOM 171 CD GLU A 15 -25.790 9.264 -21.520 1.00 0.00 C ATOM 172 OE1 GLU A 15 -26.032 10.372 -22.044 1.00 0.00 O ATOM 173 OE2 GLU A 15 -26.614 8.342 -21.336 1.00 0.00 O ATOM 0 H GLU A 15 -22.182 11.715 -18.254 1.00 0.00 H new ATOM 0 HA GLU A 15 -23.753 9.333 -18.608 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -24.473 11.079 -20.455 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -22.944 10.641 -21.191 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -23.759 8.640 -21.897 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -24.342 8.238 -20.294 1.00 0.00 H new ATOM 180 N LEU A 16 -21.379 8.624 -18.266 1.00 0.00 N ATOM 181 CA LEU A 16 -20.071 7.994 -18.239 1.00 0.00 C ATOM 182 C LEU A 16 -20.049 6.919 -17.150 1.00 0.00 C ATOM 183 O LEU A 16 -20.298 7.210 -15.981 1.00 0.00 O ATOM 184 CB LEU A 16 -18.972 9.047 -18.085 1.00 0.00 C ATOM 185 CG LEU A 16 -17.846 8.704 -17.107 1.00 0.00 C ATOM 186 CD1 LEU A 16 -16.927 7.626 -17.686 1.00 0.00 C ATOM 187 CD2 LEU A 16 -17.072 9.959 -16.700 1.00 0.00 C ATOM 0 H LEU A 16 -21.996 8.359 -17.498 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.870 7.493 -19.186 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -18.532 9.230 -19.065 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -19.434 9.981 -17.764 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.293 8.294 -16.201 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -16.135 7.401 -16.971 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -17.505 6.723 -17.884 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -16.485 7.985 -18.615 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -16.278 9.687 -16.005 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -16.636 10.421 -17.586 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -17.750 10.664 -16.219 1.00 0.00 H new ATOM 199 N GLU A 17 -19.749 5.700 -17.573 1.00 0.00 N ATOM 200 CA GLU A 17 -19.692 4.580 -16.649 1.00 0.00 C ATOM 201 C GLU A 17 -19.139 3.339 -17.352 1.00 0.00 C ATOM 202 O GLU A 17 -19.492 3.061 -18.497 1.00 0.00 O ATOM 203 CB GLU A 17 -21.068 4.299 -16.042 1.00 0.00 C ATOM 204 CG GLU A 17 -22.084 3.943 -17.129 1.00 0.00 C ATOM 205 CD GLU A 17 -23.491 3.808 -16.542 1.00 0.00 C ATOM 206 OE1 GLU A 17 -23.658 2.935 -15.663 1.00 0.00 O ATOM 207 OE2 GLU A 17 -24.367 4.581 -16.985 1.00 0.00 O ATOM 0 H GLU A 17 -19.543 5.463 -18.543 1.00 0.00 H new ATOM 0 HA GLU A 17 -19.018 4.842 -15.833 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -20.994 3.480 -15.327 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -21.412 5.174 -15.490 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -22.081 4.712 -17.901 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -21.795 3.008 -17.609 1.00 0.00 H new ATOM 214 N LEU A 18 -18.282 2.625 -16.637 1.00 0.00 N ATOM 215 CA LEU A 18 -17.678 1.420 -17.178 1.00 0.00 C ATOM 216 C LEU A 18 -17.284 0.491 -16.028 1.00 0.00 C ATOM 217 O LEU A 18 -17.397 0.861 -14.860 1.00 0.00 O ATOM 218 CB LEU A 18 -16.515 1.775 -18.108 1.00 0.00 C ATOM 219 CG LEU A 18 -16.718 1.451 -19.589 1.00 0.00 C ATOM 220 CD1 LEU A 18 -15.780 2.283 -20.466 1.00 0.00 C ATOM 221 CD2 LEU A 18 -16.564 -0.050 -19.848 1.00 0.00 C ATOM 0 H LEU A 18 -17.992 2.858 -15.687 1.00 0.00 H new ATOM 0 HA LEU A 18 -18.395 0.878 -17.794 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -16.313 2.842 -18.014 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -15.625 1.251 -17.760 1.00 0.00 H new ATOM 0 HG LEU A 18 -17.738 1.722 -19.861 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -15.945 2.033 -21.514 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -15.981 3.343 -20.310 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -14.745 2.066 -20.200 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -16.713 -0.253 -20.908 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -15.564 -0.369 -19.554 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.305 -0.598 -19.266 1.00 0.00 H new ATOM 233 N ALA A 19 -16.829 -0.697 -16.398 1.00 0.00 N ATOM 234 CA ALA A 19 -16.418 -1.681 -15.411 1.00 0.00 C ATOM 235 C ALA A 19 -15.312 -2.558 -16.002 1.00 0.00 C ATOM 236 O ALA A 19 -15.521 -3.744 -16.252 1.00 0.00 O ATOM 237 CB ALA A 19 -17.633 -2.498 -14.967 1.00 0.00 C ATOM 0 H ALA A 19 -16.736 -1.000 -17.367 1.00 0.00 H new ATOM 0 HA ALA A 19 -16.014 -1.190 -14.526 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -17.324 -3.236 -14.227 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -18.378 -1.834 -14.529 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -18.064 -3.007 -15.829 1.00 0.00 H new ATOM 243 N GLU A 20 -14.158 -1.940 -16.208 1.00 0.00 N ATOM 244 CA GLU A 20 -13.018 -2.649 -16.765 1.00 0.00 C ATOM 245 C GLU A 20 -11.779 -1.751 -16.757 1.00 0.00 C ATOM 246 O GLU A 20 -11.214 -1.458 -17.810 1.00 0.00 O ATOM 247 CB GLU A 20 -13.322 -3.151 -18.178 1.00 0.00 C ATOM 248 CG GLU A 20 -12.228 -4.101 -18.669 1.00 0.00 C ATOM 249 CD GLU A 20 -12.368 -4.371 -20.169 1.00 0.00 C ATOM 250 OE1 GLU A 20 -13.400 -4.968 -20.544 1.00 0.00 O ATOM 251 OE2 GLU A 20 -11.440 -3.973 -20.906 1.00 0.00 O ATOM 0 H GLU A 20 -13.988 -0.956 -15.999 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.816 -3.520 -16.141 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.284 -3.663 -18.187 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -13.406 -2.304 -18.859 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -11.248 -3.670 -18.463 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -12.284 -5.041 -18.120 1.00 0.00 H new ATOM 258 N GLU A 21 -11.393 -1.340 -15.558 1.00 0.00 N ATOM 259 CA GLU A 21 -10.232 -0.482 -15.400 1.00 0.00 C ATOM 260 C GLU A 21 -9.016 -1.308 -14.976 1.00 0.00 C ATOM 261 O GLU A 21 -8.176 -0.835 -14.211 1.00 0.00 O ATOM 262 CB GLU A 21 -10.511 0.639 -14.396 1.00 0.00 C ATOM 263 CG GLU A 21 -10.791 1.960 -15.113 1.00 0.00 C ATOM 264 CD GLU A 21 -11.271 3.028 -14.128 1.00 0.00 C ATOM 265 OE1 GLU A 21 -10.781 3.001 -12.978 1.00 0.00 O ATOM 266 OE2 GLU A 21 -12.117 3.847 -14.546 1.00 0.00 O ATOM 0 H GLU A 21 -11.864 -1.585 -14.687 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.014 -0.017 -16.362 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.365 0.371 -13.774 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.656 0.757 -13.730 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.887 2.304 -15.615 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -11.546 1.806 -15.884 1.00 0.00 H new ATOM 273 N LYS A 22 -8.960 -2.527 -15.490 1.00 0.00 N ATOM 274 CA LYS A 22 -7.861 -3.424 -15.174 1.00 0.00 C ATOM 275 C LYS A 22 -6.700 -3.159 -16.136 1.00 0.00 C ATOM 276 O LYS A 22 -6.913 -2.957 -17.330 1.00 0.00 O ATOM 277 CB LYS A 22 -8.338 -4.877 -15.172 1.00 0.00 C ATOM 278 CG LYS A 22 -8.597 -5.371 -16.597 1.00 0.00 C ATOM 279 CD LYS A 22 -9.451 -6.640 -16.591 1.00 0.00 C ATOM 280 CE LYS A 22 -8.576 -7.890 -16.479 1.00 0.00 C ATOM 281 NZ LYS A 22 -9.373 -9.040 -15.996 1.00 0.00 N ATOM 0 H LYS A 22 -9.658 -2.915 -16.124 1.00 0.00 H new ATOM 0 HA LYS A 22 -7.492 -3.233 -14.166 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.589 -5.509 -14.695 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.250 -4.963 -14.582 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.101 -4.592 -17.170 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.648 -5.570 -17.095 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.152 -6.607 -15.757 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -10.044 -6.688 -17.504 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.141 -8.124 -17.450 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -7.748 -7.701 -15.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.764 -9.880 -15.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.768 -8.820 -15.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -10.148 -9.230 -16.663 1.00 0.00 H new ATOM 295 N LEU A 23 -5.498 -3.168 -15.578 1.00 0.00 N ATOM 296 CA LEU A 23 -4.304 -2.931 -16.371 1.00 0.00 C ATOM 297 C LEU A 23 -3.132 -3.705 -15.764 1.00 0.00 C ATOM 298 O LEU A 23 -3.204 -4.149 -14.619 1.00 0.00 O ATOM 299 CB LEU A 23 -4.043 -1.430 -16.511 1.00 0.00 C ATOM 300 CG LEU A 23 -4.695 -0.745 -17.713 1.00 0.00 C ATOM 301 CD1 LEU A 23 -5.245 0.630 -17.329 1.00 0.00 C ATOM 302 CD2 LEU A 23 -3.724 -0.664 -18.893 1.00 0.00 C ATOM 0 H LEU A 23 -5.326 -3.336 -14.587 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.441 -3.303 -17.386 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.390 -0.935 -15.604 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.966 -1.273 -16.568 1.00 0.00 H new ATOM 0 HG LEU A 23 -5.541 -1.353 -18.034 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.703 1.095 -18.202 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -5.993 0.517 -16.544 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.432 1.259 -16.967 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.213 -0.173 -19.734 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.843 -0.092 -18.601 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.423 -1.670 -19.186 1.00 0.00 H new ATOM 314 N PRO A 24 -2.053 -3.846 -16.579 1.00 0.00 N ATOM 315 CA PRO A 24 -0.867 -4.559 -16.134 1.00 0.00 C ATOM 316 C PRO A 24 -0.056 -3.714 -15.150 1.00 0.00 C ATOM 317 O PRO A 24 -0.427 -2.580 -14.847 1.00 0.00 O ATOM 318 CB PRO A 24 -0.103 -4.884 -17.407 1.00 0.00 C ATOM 319 CG PRO A 24 -0.646 -3.944 -18.471 1.00 0.00 C ATOM 320 CD PRO A 24 -1.933 -3.333 -17.941 1.00 0.00 C ATOM 0 HA PRO A 24 -1.105 -5.470 -15.584 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.968 -4.739 -17.267 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -0.249 -5.925 -17.695 1.00 0.00 H new ATOM 0 HG2 PRO A 24 0.081 -3.164 -18.699 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -0.834 -4.485 -19.398 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.888 -2.244 -17.952 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -2.789 -3.623 -18.550 1.00 0.00 H new ATOM 328 N MET A 25 1.035 -4.298 -14.677 1.00 0.00 N ATOM 329 CA MET A 25 1.901 -3.613 -13.732 1.00 0.00 C ATOM 330 C MET A 25 2.361 -2.264 -14.290 1.00 0.00 C ATOM 331 O MET A 25 3.335 -2.198 -15.038 1.00 0.00 O ATOM 332 CB MET A 25 3.121 -4.485 -13.433 1.00 0.00 C ATOM 333 CG MET A 25 3.098 -4.983 -11.986 1.00 0.00 C ATOM 334 SD MET A 25 4.693 -5.654 -11.546 1.00 0.00 S ATOM 335 CE MET A 25 4.681 -5.353 -9.787 1.00 0.00 C ATOM 0 H MET A 25 1.339 -5.238 -14.930 1.00 0.00 H new ATOM 0 HA MET A 25 1.339 -3.434 -12.816 1.00 0.00 H new ATOM 0 HB2 MET A 25 3.140 -5.336 -14.114 1.00 0.00 H new ATOM 0 HB3 MET A 25 4.033 -3.914 -13.611 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.841 -4.164 -11.315 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.328 -5.745 -11.867 1.00 0.00 H new ATOM 0 HE1 MET A 25 5.165 -6.183 -9.273 1.00 0.00 H new ATOM 0 HE2 MET A 25 5.219 -4.430 -9.572 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.652 -5.262 -9.440 1.00 0.00 H new ATOM 345 N THR A 26 1.639 -1.223 -13.903 1.00 0.00 N ATOM 346 CA THR A 26 1.961 0.120 -14.355 1.00 0.00 C ATOM 347 C THR A 26 3.163 0.669 -13.583 1.00 0.00 C ATOM 348 O THR A 26 4.034 1.316 -14.161 1.00 0.00 O ATOM 349 CB THR A 26 0.704 0.981 -14.214 1.00 0.00 C ATOM 350 OG1 THR A 26 0.442 0.986 -12.813 1.00 0.00 O ATOM 351 CG2 THR A 26 -0.532 0.315 -14.822 1.00 0.00 C ATOM 0 H THR A 26 0.832 -1.282 -13.282 1.00 0.00 H new ATOM 0 HA THR A 26 2.259 0.123 -15.404 1.00 0.00 H new ATOM 0 HB THR A 26 0.869 1.946 -14.693 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.357 1.523 -12.632 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.396 0.967 -14.695 1.00 0.00 H new ATOM 0 HG22 THR A 26 -0.364 0.137 -15.884 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.718 -0.635 -14.320 1.00 0.00 H new ATOM 359 N LEU A 27 3.171 0.390 -12.287 1.00 0.00 N ATOM 360 CA LEU A 27 4.251 0.847 -11.430 1.00 0.00 C ATOM 361 C LEU A 27 5.175 -0.330 -11.110 1.00 0.00 C ATOM 362 O LEU A 27 4.709 -1.442 -10.869 1.00 0.00 O ATOM 363 CB LEU A 27 3.691 1.544 -10.188 1.00 0.00 C ATOM 364 CG LEU A 27 2.656 2.642 -10.445 1.00 0.00 C ATOM 365 CD1 LEU A 27 1.805 2.895 -9.199 1.00 0.00 C ATOM 366 CD2 LEU A 27 3.328 3.921 -10.951 1.00 0.00 C ATOM 0 H LEU A 27 2.446 -0.147 -11.810 1.00 0.00 H new ATOM 0 HA LEU A 27 4.854 1.596 -11.943 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.239 0.789 -9.545 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.523 1.979 -9.633 1.00 0.00 H new ATOM 0 HG LEU A 27 1.982 2.300 -11.231 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.078 3.679 -9.408 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.282 1.979 -8.924 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.448 3.207 -8.376 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.571 4.685 -11.126 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.039 4.278 -10.206 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.854 3.712 -11.882 1.00 0.00 H new ATOM 378 N SER A 28 6.469 -0.044 -11.118 1.00 0.00 N ATOM 379 CA SER A 28 7.463 -1.064 -10.831 1.00 0.00 C ATOM 380 C SER A 28 7.713 -1.142 -9.324 1.00 0.00 C ATOM 381 O SER A 28 7.403 -0.205 -8.590 1.00 0.00 O ATOM 382 CB SER A 28 8.771 -0.782 -11.572 1.00 0.00 C ATOM 383 OG SER A 28 9.420 0.388 -11.083 1.00 0.00 O ATOM 0 H SER A 28 6.852 0.880 -11.319 1.00 0.00 H new ATOM 0 HA SER A 28 7.079 -2.023 -11.179 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.439 -1.637 -11.467 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.567 -0.665 -12.636 1.00 0.00 H new ATOM 0 HG SER A 28 10.252 0.533 -11.580 1.00 0.00 H new ATOM 389 N ARG A 29 8.271 -2.269 -8.907 1.00 0.00 N ATOM 390 CA ARG A 29 8.566 -2.482 -7.500 1.00 0.00 C ATOM 391 C ARG A 29 9.034 -1.177 -6.852 1.00 0.00 C ATOM 392 O ARG A 29 8.384 -0.664 -5.942 1.00 0.00 O ATOM 393 CB ARG A 29 9.648 -3.549 -7.319 1.00 0.00 C ATOM 394 CG ARG A 29 10.541 -3.640 -8.558 1.00 0.00 C ATOM 395 CD ARG A 29 11.994 -3.920 -8.168 1.00 0.00 C ATOM 396 NE ARG A 29 12.424 -5.223 -8.721 1.00 0.00 N ATOM 397 CZ ARG A 29 12.023 -6.410 -8.246 1.00 0.00 C ATOM 398 NH1 ARG A 29 11.180 -6.465 -7.206 1.00 0.00 N ATOM 399 NH2 ARG A 29 12.465 -7.542 -8.810 1.00 0.00 N ATOM 0 H ARG A 29 8.527 -3.044 -9.519 1.00 0.00 H new ATOM 0 HA ARG A 29 7.650 -2.824 -7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.255 -3.312 -6.445 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.182 -4.516 -7.130 1.00 0.00 H new ATOM 0 HG2 ARG A 29 10.178 -4.431 -9.215 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.485 -2.708 -9.120 1.00 0.00 H new ATOM 0 HD2 ARG A 29 12.639 -3.126 -8.543 1.00 0.00 H new ATOM 0 HD3 ARG A 29 12.093 -3.926 -7.083 1.00 0.00 H new ATOM 0 HE ARG A 29 13.066 -5.217 -9.514 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.844 -5.603 -6.776 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.875 -7.368 -6.844 1.00 0.00 H new ATOM 0 HH21 ARG A 29 13.107 -7.501 -9.601 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.159 -8.445 -8.448 1.00 0.00 H new ATOM 413 N GLN A 30 10.157 -0.678 -7.346 1.00 0.00 N ATOM 414 CA GLN A 30 10.719 0.557 -6.827 1.00 0.00 C ATOM 415 C GLN A 30 9.638 1.636 -6.738 1.00 0.00 C ATOM 416 O GLN A 30 9.349 2.143 -5.655 1.00 0.00 O ATOM 417 CB GLN A 30 11.894 1.028 -7.686 1.00 0.00 C ATOM 418 CG GLN A 30 12.575 2.249 -7.062 1.00 0.00 C ATOM 419 CD GLN A 30 12.286 3.512 -7.875 1.00 0.00 C ATOM 420 OE1 GLN A 30 11.459 3.530 -8.771 1.00 0.00 O ATOM 421 NE2 GLN A 30 13.014 4.566 -7.514 1.00 0.00 N ATOM 0 H GLN A 30 10.693 -1.107 -8.100 1.00 0.00 H new ATOM 0 HA GLN A 30 11.099 0.367 -5.823 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.617 0.220 -7.794 1.00 0.00 H new ATOM 0 HB3 GLN A 30 11.541 1.276 -8.687 1.00 0.00 H new ATOM 0 HG2 GLN A 30 12.224 2.382 -6.039 1.00 0.00 H new ATOM 0 HG3 GLN A 30 13.651 2.083 -7.011 1.00 0.00 H new ATOM 0 HE21 GLN A 30 13.690 4.483 -6.755 1.00 0.00 H new ATOM 0 HE22 GLN A 30 12.896 5.457 -7.997 1.00 0.00 H new ATOM 430 N GLU A 31 9.069 1.956 -7.892 1.00 0.00 N ATOM 431 CA GLU A 31 8.026 2.965 -7.957 1.00 0.00 C ATOM 432 C GLU A 31 6.993 2.733 -6.853 1.00 0.00 C ATOM 433 O GLU A 31 6.346 3.674 -6.396 1.00 0.00 O ATOM 434 CB GLU A 31 7.363 2.979 -9.336 1.00 0.00 C ATOM 435 CG GLU A 31 6.953 4.398 -9.733 1.00 0.00 C ATOM 436 CD GLU A 31 8.159 5.339 -9.724 1.00 0.00 C ATOM 437 OE1 GLU A 31 8.843 5.396 -10.769 1.00 0.00 O ATOM 438 OE2 GLU A 31 8.370 5.982 -8.673 1.00 0.00 O ATOM 0 H GLU A 31 9.311 1.534 -8.789 1.00 0.00 H new ATOM 0 HA GLU A 31 8.482 3.942 -7.800 1.00 0.00 H new ATOM 0 HB2 GLU A 31 8.051 2.574 -10.078 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.486 2.332 -9.328 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.504 4.386 -10.726 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.194 4.767 -9.044 1.00 0.00 H new ATOM 445 N VAL A 32 6.869 1.475 -6.458 1.00 0.00 N ATOM 446 CA VAL A 32 5.925 1.107 -5.416 1.00 0.00 C ATOM 447 C VAL A 32 6.612 1.208 -4.052 1.00 0.00 C ATOM 448 O VAL A 32 5.979 1.560 -3.059 1.00 0.00 O ATOM 449 CB VAL A 32 5.352 -0.284 -5.696 1.00 0.00 C ATOM 450 CG1 VAL A 32 4.599 -0.822 -4.477 1.00 0.00 C ATOM 451 CG2 VAL A 32 4.452 -0.267 -6.933 1.00 0.00 C ATOM 0 H VAL A 32 7.407 0.697 -6.841 1.00 0.00 H new ATOM 0 HA VAL A 32 5.080 1.795 -5.406 1.00 0.00 H new ATOM 0 HB VAL A 32 6.186 -0.956 -5.898 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.202 -1.812 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.280 -0.889 -3.629 1.00 0.00 H new ATOM 0 HG13 VAL A 32 3.778 -0.149 -4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 32 4.058 -1.268 -7.110 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.626 0.425 -6.772 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.030 0.053 -7.799 1.00 0.00 H new ATOM 461 N ILE A 33 7.899 0.892 -4.049 1.00 0.00 N ATOM 462 CA ILE A 33 8.678 0.942 -2.824 1.00 0.00 C ATOM 463 C ILE A 33 8.888 2.402 -2.417 1.00 0.00 C ATOM 464 O ILE A 33 8.849 2.732 -1.233 1.00 0.00 O ATOM 465 CB ILE A 33 9.981 0.156 -2.986 1.00 0.00 C ATOM 466 CG1 ILE A 33 9.715 -1.351 -2.987 1.00 0.00 C ATOM 467 CG2 ILE A 33 11.000 0.557 -1.917 1.00 0.00 C ATOM 468 CD1 ILE A 33 10.969 -2.129 -3.391 1.00 0.00 C ATOM 0 H ILE A 33 8.421 0.601 -4.875 1.00 0.00 H new ATOM 0 HA ILE A 33 8.139 0.458 -2.010 1.00 0.00 H new ATOM 0 HB ILE A 33 10.414 0.408 -3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.390 -1.667 -1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.903 -1.580 -3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 33 11.917 -0.016 -2.055 1.00 0.00 H new ATOM 0 HG22 ILE A 33 11.221 1.621 -2.005 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.590 0.353 -0.928 1.00 0.00 H new ATOM 0 HD11 ILE A 33 10.753 -3.197 -3.384 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.277 -1.828 -4.392 1.00 0.00 H new ATOM 0 HD13 ILE A 33 11.772 -1.917 -2.685 1.00 0.00 H new ATOM 480 N ARG A 34 9.105 3.237 -3.423 1.00 0.00 N ATOM 481 CA ARG A 34 9.321 4.654 -3.184 1.00 0.00 C ATOM 482 C ARG A 34 8.162 5.239 -2.374 1.00 0.00 C ATOM 483 O ARG A 34 8.327 5.577 -1.203 1.00 0.00 O ATOM 484 CB ARG A 34 9.450 5.421 -4.502 1.00 0.00 C ATOM 485 CG ARG A 34 10.502 6.527 -4.392 1.00 0.00 C ATOM 486 CD ARG A 34 10.509 7.404 -5.646 1.00 0.00 C ATOM 487 NE ARG A 34 11.851 7.996 -5.842 1.00 0.00 N ATOM 488 CZ ARG A 34 12.170 8.813 -6.855 1.00 0.00 C ATOM 489 NH1 ARG A 34 11.247 9.139 -7.769 1.00 0.00 N ATOM 490 NH2 ARG A 34 13.414 9.304 -6.953 1.00 0.00 N ATOM 0 H ARG A 34 9.136 2.960 -4.404 1.00 0.00 H new ATOM 0 HA ARG A 34 10.250 4.758 -2.623 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.723 4.733 -5.302 1.00 0.00 H new ATOM 0 HB3 ARG A 34 8.487 5.856 -4.770 1.00 0.00 H new ATOM 0 HG2 ARG A 34 10.298 7.142 -3.515 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.487 6.084 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.234 6.809 -6.517 1.00 0.00 H new ATOM 0 HD3 ARG A 34 9.764 8.194 -5.551 1.00 0.00 H new ATOM 0 HE ARG A 34 12.578 7.768 -5.164 1.00 0.00 H new ATOM 0 HH11 ARG A 34 10.301 8.765 -7.694 1.00 0.00 H new ATOM 0 HH12 ARG A 34 11.490 9.761 -8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 34 14.117 9.055 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.658 9.926 -7.724 1.00 0.00 H new ATOM 504 N ARG A 35 7.015 5.340 -3.030 1.00 0.00 N ATOM 505 CA ARG A 35 5.829 5.877 -2.385 1.00 0.00 C ATOM 506 C ARG A 35 5.626 5.224 -1.017 1.00 0.00 C ATOM 507 O ARG A 35 5.682 5.897 0.011 1.00 0.00 O ATOM 508 CB ARG A 35 4.583 5.647 -3.243 1.00 0.00 C ATOM 509 CG ARG A 35 4.659 6.444 -4.546 1.00 0.00 C ATOM 510 CD ARG A 35 3.945 5.709 -5.681 1.00 0.00 C ATOM 511 NE ARG A 35 3.710 6.633 -6.814 1.00 0.00 N ATOM 512 CZ ARG A 35 2.753 6.463 -7.736 1.00 0.00 C ATOM 513 NH1 ARG A 35 1.935 5.403 -7.666 1.00 0.00 N ATOM 514 NH2 ARG A 35 2.613 7.352 -8.729 1.00 0.00 N ATOM 0 H ARG A 35 6.882 5.059 -4.001 1.00 0.00 H new ATOM 0 HA ARG A 35 5.977 6.950 -2.260 1.00 0.00 H new ATOM 0 HB2 ARG A 35 4.483 4.585 -3.468 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.694 5.940 -2.685 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.207 7.426 -4.403 1.00 0.00 H new ATOM 0 HG3 ARG A 35 5.702 6.609 -4.815 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.546 4.861 -6.011 1.00 0.00 H new ATOM 0 HD3 ARG A 35 2.996 5.308 -5.325 1.00 0.00 H new ATOM 0 HE ARG A 35 4.315 7.450 -6.898 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.041 4.726 -6.911 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.206 5.274 -8.368 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.235 8.158 -8.783 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.884 7.222 -9.431 1.00 0.00 H new ATOM 528 N LEU A 36 5.395 3.919 -1.048 1.00 0.00 N ATOM 529 CA LEU A 36 5.184 3.167 0.177 1.00 0.00 C ATOM 530 C LEU A 36 6.145 3.674 1.254 1.00 0.00 C ATOM 531 O LEU A 36 5.714 4.096 2.326 1.00 0.00 O ATOM 532 CB LEU A 36 5.297 1.665 -0.090 1.00 0.00 C ATOM 533 CG LEU A 36 4.170 1.044 -0.919 1.00 0.00 C ATOM 534 CD1 LEU A 36 4.456 -0.429 -1.216 1.00 0.00 C ATOM 535 CD2 LEU A 36 2.816 1.238 -0.234 1.00 0.00 C ATOM 0 H LEU A 36 5.349 3.364 -1.902 1.00 0.00 H new ATOM 0 HA LEU A 36 4.173 3.326 0.551 1.00 0.00 H new ATOM 0 HB2 LEU A 36 6.242 1.477 -0.600 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.343 1.148 0.869 1.00 0.00 H new ATOM 0 HG LEU A 36 4.124 1.562 -1.877 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.640 -0.846 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.388 -0.513 -1.775 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.544 -0.979 -0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.032 0.788 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.833 0.761 0.746 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.617 2.303 -0.116 1.00 0.00 H new ATOM 547 N ARG A 37 7.428 3.617 0.931 1.00 0.00 N ATOM 548 CA ARG A 37 8.454 4.065 1.858 1.00 0.00 C ATOM 549 C ARG A 37 8.083 5.431 2.440 1.00 0.00 C ATOM 550 O ARG A 37 7.947 5.576 3.654 1.00 0.00 O ATOM 551 CB ARG A 37 9.815 4.165 1.167 1.00 0.00 C ATOM 552 CG ARG A 37 10.644 2.901 1.402 1.00 0.00 C ATOM 553 CD ARG A 37 12.131 3.237 1.533 1.00 0.00 C ATOM 554 NE ARG A 37 12.890 2.029 1.926 1.00 0.00 N ATOM 555 CZ ARG A 37 14.119 2.054 2.459 1.00 0.00 C ATOM 556 NH1 ARG A 37 14.736 3.226 2.665 1.00 0.00 N ATOM 557 NH2 ARG A 37 14.732 0.908 2.785 1.00 0.00 N ATOM 0 H ARG A 37 7.781 3.267 0.040 1.00 0.00 H new ATOM 0 HA ARG A 37 8.520 3.330 2.660 1.00 0.00 H new ATOM 0 HB2 ARG A 37 9.673 4.317 0.097 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.355 5.034 1.544 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.300 2.399 2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 37 10.496 2.206 0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.510 3.623 0.587 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.271 4.022 2.276 1.00 0.00 H new ATOM 0 HE ARG A 37 12.450 1.120 1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.270 4.098 2.416 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.672 3.245 3.071 1.00 0.00 H new ATOM 0 HH21 ARG A 37 14.263 0.016 2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.668 0.928 3.191 1.00 0.00 H new ATOM 571 N GLU A 38 7.930 6.397 1.546 1.00 0.00 N ATOM 572 CA GLU A 38 7.578 7.746 1.956 1.00 0.00 C ATOM 573 C GLU A 38 6.291 7.730 2.784 1.00 0.00 C ATOM 574 O GLU A 38 6.130 8.532 3.702 1.00 0.00 O ATOM 575 CB GLU A 38 7.439 8.669 0.743 1.00 0.00 C ATOM 576 CG GLU A 38 8.750 9.405 0.462 1.00 0.00 C ATOM 577 CD GLU A 38 8.568 10.919 0.599 1.00 0.00 C ATOM 578 OE1 GLU A 38 8.557 11.386 1.758 1.00 0.00 O ATOM 579 OE2 GLU A 38 8.446 11.573 -0.459 1.00 0.00 O ATOM 0 H GLU A 38 8.043 6.272 0.540 1.00 0.00 H new ATOM 0 HA GLU A 38 8.382 8.138 2.579 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.151 8.086 -0.131 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.643 9.392 0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 38 9.519 9.063 1.155 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.097 9.166 -0.543 1.00 0.00 H new ATOM 586 N ARG A 39 5.408 6.809 2.428 1.00 0.00 N ATOM 587 CA ARG A 39 4.140 6.679 3.126 1.00 0.00 C ATOM 588 C ARG A 39 4.343 5.964 4.464 1.00 0.00 C ATOM 589 O ARG A 39 3.441 5.938 5.300 1.00 0.00 O ATOM 590 CB ARG A 39 3.127 5.898 2.287 1.00 0.00 C ATOM 591 CG ARG A 39 2.927 6.554 0.919 1.00 0.00 C ATOM 592 CD ARG A 39 1.550 7.215 0.824 1.00 0.00 C ATOM 593 NE ARG A 39 1.700 8.652 0.505 1.00 0.00 N ATOM 594 CZ ARG A 39 0.757 9.576 0.737 1.00 0.00 C ATOM 595 NH1 ARG A 39 -0.409 9.218 1.291 1.00 0.00 N ATOM 596 NH2 ARG A 39 0.980 10.857 0.414 1.00 0.00 N ATOM 0 H ARG A 39 5.545 6.146 1.665 1.00 0.00 H new ATOM 0 HA ARG A 39 3.752 7.683 3.301 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.472 4.872 2.156 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.174 5.849 2.814 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.705 7.299 0.752 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.030 5.805 0.134 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.954 6.724 0.055 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.015 7.097 1.766 1.00 0.00 H new ATOM 0 HE ARG A 39 2.576 8.959 0.082 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.579 8.243 1.536 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.127 9.921 1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.868 11.129 -0.009 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.262 11.560 0.591 1.00 0.00 H new ATOM 610 N GLY A 40 5.531 5.401 4.624 1.00 0.00 N ATOM 611 CA GLY A 40 5.863 4.688 5.846 1.00 0.00 C ATOM 612 C GLY A 40 5.363 3.243 5.791 1.00 0.00 C ATOM 613 O GLY A 40 5.490 2.501 6.763 1.00 0.00 O ATOM 0 H GLY A 40 6.276 5.424 3.928 1.00 0.00 H new ATOM 0 HA2 GLY A 40 6.943 4.698 5.995 1.00 0.00 H new ATOM 0 HA3 GLY A 40 5.419 5.198 6.701 1.00 0.00 H new ATOM 617 N GLU A 41 4.805 2.888 4.643 1.00 0.00 N ATOM 618 CA GLU A 41 4.285 1.545 4.448 1.00 0.00 C ATOM 619 C GLU A 41 5.432 0.561 4.209 1.00 0.00 C ATOM 620 O GLU A 41 6.515 0.957 3.782 1.00 0.00 O ATOM 621 CB GLU A 41 3.281 1.508 3.294 1.00 0.00 C ATOM 622 CG GLU A 41 2.236 2.615 3.440 1.00 0.00 C ATOM 623 CD GLU A 41 1.039 2.134 4.264 1.00 0.00 C ATOM 624 OE1 GLU A 41 0.766 0.916 4.209 1.00 0.00 O ATOM 625 OE2 GLU A 41 0.426 2.996 4.930 1.00 0.00 O ATOM 0 H GLU A 41 4.702 3.507 3.839 1.00 0.00 H new ATOM 0 HA GLU A 41 3.758 1.245 5.354 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.807 1.622 2.346 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.786 0.537 3.269 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.686 3.484 3.919 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.899 2.934 2.454 1.00 0.00 H new ATOM 632 N PRO A 42 5.147 -0.736 4.502 1.00 0.00 N ATOM 633 CA PRO A 42 6.142 -1.780 4.324 1.00 0.00 C ATOM 634 C PRO A 42 6.322 -2.118 2.843 1.00 0.00 C ATOM 635 O PRO A 42 5.371 -2.517 2.173 1.00 0.00 O ATOM 636 CB PRO A 42 5.633 -2.954 5.144 1.00 0.00 C ATOM 637 CG PRO A 42 4.153 -2.692 5.372 1.00 0.00 C ATOM 638 CD PRO A 42 3.875 -1.242 5.010 1.00 0.00 C ATOM 0 HA PRO A 42 7.134 -1.478 4.661 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.786 -3.895 4.616 1.00 0.00 H new ATOM 0 HB3 PRO A 42 6.167 -3.030 6.091 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.548 -3.361 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.887 -2.884 6.412 1.00 0.00 H new ATOM 0 HD2 PRO A 42 3.090 -1.165 4.258 1.00 0.00 H new ATOM 0 HD3 PRO A 42 3.541 -0.674 5.878 1.00 0.00 H new ATOM 646 N ILE A 43 7.550 -1.946 2.374 1.00 0.00 N ATOM 647 CA ILE A 43 7.867 -2.229 0.985 1.00 0.00 C ATOM 648 C ILE A 43 7.381 -3.636 0.631 1.00 0.00 C ATOM 649 O ILE A 43 6.866 -3.862 -0.463 1.00 0.00 O ATOM 650 CB ILE A 43 9.358 -2.008 0.720 1.00 0.00 C ATOM 651 CG1 ILE A 43 10.209 -2.621 1.833 1.00 0.00 C ATOM 652 CG2 ILE A 43 9.664 -0.523 0.515 1.00 0.00 C ATOM 653 CD1 ILE A 43 11.287 -3.541 1.256 1.00 0.00 C ATOM 0 H ILE A 43 8.337 -1.614 2.932 1.00 0.00 H new ATOM 0 HA ILE A 43 7.344 -1.536 0.326 1.00 0.00 H new ATOM 0 HB ILE A 43 9.621 -2.521 -0.205 1.00 0.00 H new ATOM 0 HG12 ILE A 43 10.677 -1.828 2.416 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.572 -3.185 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.730 -0.394 0.329 1.00 0.00 H new ATOM 0 HG22 ILE A 43 9.098 -0.149 -0.339 1.00 0.00 H new ATOM 0 HG23 ILE A 43 9.382 0.033 1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 43 11.878 -3.964 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 43 10.815 -4.347 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 43 11.937 -2.969 0.594 1.00 0.00 H new ATOM 665 N ARG A 44 7.562 -4.545 1.577 1.00 0.00 N ATOM 666 CA ARG A 44 7.148 -5.924 1.379 1.00 0.00 C ATOM 667 C ARG A 44 6.423 -6.444 2.622 1.00 0.00 C ATOM 668 O ARG A 44 6.924 -6.313 3.738 1.00 0.00 O ATOM 669 CB ARG A 44 8.350 -6.823 1.085 1.00 0.00 C ATOM 670 CG ARG A 44 7.920 -8.283 0.938 1.00 0.00 C ATOM 671 CD ARG A 44 7.176 -8.506 -0.380 1.00 0.00 C ATOM 672 NE ARG A 44 7.545 -9.820 -0.953 1.00 0.00 N ATOM 673 CZ ARG A 44 7.447 -10.127 -2.254 1.00 0.00 C ATOM 674 NH1 ARG A 44 6.991 -9.215 -3.125 1.00 0.00 N ATOM 675 NH2 ARG A 44 7.804 -11.344 -2.684 1.00 0.00 N ATOM 0 H ARG A 44 7.990 -4.354 2.483 1.00 0.00 H new ATOM 0 HA ARG A 44 6.473 -5.948 0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.842 -6.491 0.170 1.00 0.00 H new ATOM 0 HB3 ARG A 44 9.080 -6.735 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 44 8.796 -8.930 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 44 7.278 -8.563 1.774 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.100 -8.463 -0.212 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.421 -7.711 -1.084 1.00 0.00 H new ATOM 0 HE ARG A 44 7.896 -10.537 -0.318 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.719 -8.288 -2.797 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.916 -9.448 -4.115 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.151 -12.038 -2.021 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.729 -11.577 -3.674 1.00 0.00 H new ATOM 689 N LEU A 45 5.255 -7.024 2.388 1.00 0.00 N ATOM 690 CA LEU A 45 4.457 -7.565 3.474 1.00 0.00 C ATOM 691 C LEU A 45 4.681 -9.076 3.563 1.00 0.00 C ATOM 692 O LEU A 45 5.281 -9.672 2.670 1.00 0.00 O ATOM 693 CB LEU A 45 2.988 -7.171 3.308 1.00 0.00 C ATOM 694 CG LEU A 45 2.525 -5.953 4.111 1.00 0.00 C ATOM 695 CD1 LEU A 45 1.121 -5.518 3.687 1.00 0.00 C ATOM 696 CD2 LEU A 45 2.613 -6.223 5.615 1.00 0.00 C ATOM 0 H LEU A 45 4.842 -7.131 1.461 1.00 0.00 H new ATOM 0 HA LEU A 45 4.772 -7.139 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.802 -6.977 2.252 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.370 -8.023 3.590 1.00 0.00 H new ATOM 0 HG LEU A 45 3.198 -5.124 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.816 -4.651 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.125 -5.258 2.629 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.420 -6.335 3.857 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.278 -5.342 6.163 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.978 -7.072 5.870 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.645 -6.448 5.885 1.00 0.00 H new ATOM 708 N PHE A 46 4.187 -9.653 4.649 1.00 0.00 N ATOM 709 CA PHE A 46 4.326 -11.083 4.866 1.00 0.00 C ATOM 710 C PHE A 46 3.562 -11.875 3.804 1.00 0.00 C ATOM 711 O PHE A 46 2.336 -11.960 3.851 1.00 0.00 O ATOM 712 CB PHE A 46 3.728 -11.386 6.241 1.00 0.00 C ATOM 713 CG PHE A 46 4.765 -11.488 7.362 1.00 0.00 C ATOM 714 CD1 PHE A 46 5.467 -12.640 7.537 1.00 0.00 C ATOM 715 CD2 PHE A 46 4.984 -10.427 8.184 1.00 0.00 C ATOM 716 CE1 PHE A 46 6.429 -12.734 8.577 1.00 0.00 C ATOM 717 CE2 PHE A 46 5.946 -10.521 9.225 1.00 0.00 C ATOM 718 CZ PHE A 46 6.648 -11.673 9.399 1.00 0.00 C ATOM 0 H PHE A 46 3.690 -9.156 5.388 1.00 0.00 H new ATOM 0 HA PHE A 46 5.376 -11.369 4.807 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.010 -10.605 6.494 1.00 0.00 H new ATOM 0 HB3 PHE A 46 3.174 -12.323 6.186 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.293 -13.483 6.885 1.00 0.00 H new ATOM 0 HD2 PHE A 46 4.426 -9.513 8.045 1.00 0.00 H new ATOM 0 HE1 PHE A 46 6.987 -13.648 8.715 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.120 -9.678 9.878 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.380 -11.745 10.190 1.00 0.00 H new ATOM 728 N GLY A 47 4.318 -12.437 2.872 1.00 0.00 N ATOM 729 CA GLY A 47 3.727 -13.220 1.800 1.00 0.00 C ATOM 730 C GLY A 47 3.408 -12.340 0.590 1.00 0.00 C ATOM 731 O GLY A 47 3.345 -12.827 -0.537 1.00 0.00 O ATOM 0 H GLY A 47 5.335 -12.366 2.837 1.00 0.00 H new ATOM 0 HA2 GLY A 47 4.412 -14.015 1.505 1.00 0.00 H new ATOM 0 HA3 GLY A 47 2.815 -13.700 2.156 1.00 0.00 H new ATOM 735 N GLU A 48 3.214 -11.058 0.866 1.00 0.00 N ATOM 736 CA GLU A 48 2.903 -10.106 -0.186 1.00 0.00 C ATOM 737 C GLU A 48 3.835 -10.311 -1.382 1.00 0.00 C ATOM 738 O GLU A 48 5.036 -10.060 -1.287 1.00 0.00 O ATOM 739 CB GLU A 48 2.985 -8.669 0.333 1.00 0.00 C ATOM 740 CG GLU A 48 1.600 -8.020 0.374 1.00 0.00 C ATOM 741 CD GLU A 48 0.848 -8.412 1.647 1.00 0.00 C ATOM 742 OE1 GLU A 48 1.275 -9.405 2.275 1.00 0.00 O ATOM 743 OE2 GLU A 48 -0.136 -7.710 1.964 1.00 0.00 O ATOM 0 H GLU A 48 3.266 -10.657 1.803 1.00 0.00 H new ATOM 0 HA GLU A 48 1.879 -10.281 -0.515 1.00 0.00 H new ATOM 0 HB2 GLU A 48 3.423 -8.664 1.331 1.00 0.00 H new ATOM 0 HB3 GLU A 48 3.645 -8.085 -0.308 1.00 0.00 H new ATOM 0 HG2 GLU A 48 1.701 -6.936 0.326 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.025 -8.325 -0.501 1.00 0.00 H new ATOM 750 N THR A 49 3.248 -10.765 -2.479 1.00 0.00 N ATOM 751 CA THR A 49 4.011 -11.007 -3.691 1.00 0.00 C ATOM 752 C THR A 49 4.344 -9.685 -4.385 1.00 0.00 C ATOM 753 O THR A 49 3.700 -8.668 -4.132 1.00 0.00 O ATOM 754 CB THR A 49 3.211 -11.970 -4.570 1.00 0.00 C ATOM 755 OG1 THR A 49 4.175 -12.496 -5.477 1.00 0.00 O ATOM 756 CG2 THR A 49 2.209 -11.244 -5.471 1.00 0.00 C ATOM 0 H THR A 49 2.252 -10.972 -2.554 1.00 0.00 H new ATOM 0 HA THR A 49 4.971 -11.471 -3.467 1.00 0.00 H new ATOM 0 HB THR A 49 2.682 -12.683 -3.938 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.741 -13.132 -6.083 1.00 0.00 H new ATOM 0 HG21 THR A 49 1.667 -11.973 -6.074 1.00 0.00 H new ATOM 0 HG22 THR A 49 1.503 -10.686 -4.855 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.742 -10.555 -6.126 1.00 0.00 H new ATOM 764 N ASP A 50 5.349 -9.741 -5.246 1.00 0.00 N ATOM 765 CA ASP A 50 5.775 -8.561 -5.978 1.00 0.00 C ATOM 766 C ASP A 50 4.543 -7.790 -6.456 1.00 0.00 C ATOM 767 O ASP A 50 4.391 -6.607 -6.156 1.00 0.00 O ATOM 768 CB ASP A 50 6.600 -8.943 -7.209 1.00 0.00 C ATOM 769 CG ASP A 50 7.319 -7.779 -7.892 1.00 0.00 C ATOM 770 OD1 ASP A 50 6.779 -6.654 -7.816 1.00 0.00 O ATOM 771 OD2 ASP A 50 8.394 -8.039 -8.476 1.00 0.00 O ATOM 0 H ASP A 50 5.881 -10.586 -5.453 1.00 0.00 H new ATOM 0 HA ASP A 50 6.385 -7.953 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.341 -9.686 -6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.942 -9.420 -7.935 1.00 0.00 H new ATOM 776 N TYR A 51 3.694 -8.493 -7.192 1.00 0.00 N ATOM 777 CA TYR A 51 2.479 -7.890 -7.715 1.00 0.00 C ATOM 778 C TYR A 51 1.631 -7.299 -6.586 1.00 0.00 C ATOM 779 O TYR A 51 1.002 -6.256 -6.758 1.00 0.00 O ATOM 780 CB TYR A 51 1.700 -9.023 -8.384 1.00 0.00 C ATOM 781 CG TYR A 51 0.841 -8.574 -9.568 1.00 0.00 C ATOM 782 CD1 TYR A 51 -0.063 -7.543 -9.412 1.00 0.00 C ATOM 783 CD2 TYR A 51 0.971 -9.199 -10.791 1.00 0.00 C ATOM 784 CE1 TYR A 51 -0.871 -7.120 -10.527 1.00 0.00 C ATOM 785 CE2 TYR A 51 0.163 -8.776 -11.905 1.00 0.00 C ATOM 786 CZ TYR A 51 -0.718 -7.758 -11.718 1.00 0.00 C ATOM 787 OH TYR A 51 -1.481 -7.358 -12.771 1.00 0.00 O ATOM 0 H TYR A 51 3.823 -9.474 -7.439 1.00 0.00 H new ATOM 0 HA TYR A 51 2.718 -7.083 -8.407 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.404 -9.781 -8.726 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.058 -9.496 -7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.165 -7.054 -8.455 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.679 -10.006 -10.913 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.582 -6.314 -10.419 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.255 -9.257 -12.868 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.264 -7.902 -13.557 1.00 0.00 H new ATOM 797 N ASP A 52 1.641 -7.993 -5.457 1.00 0.00 N ATOM 798 CA ASP A 52 0.880 -7.550 -4.301 1.00 0.00 C ATOM 799 C ASP A 52 1.336 -6.145 -3.903 1.00 0.00 C ATOM 800 O ASP A 52 0.536 -5.211 -3.881 1.00 0.00 O ATOM 801 CB ASP A 52 1.106 -8.478 -3.105 1.00 0.00 C ATOM 802 CG ASP A 52 -0.170 -9.023 -2.460 1.00 0.00 C ATOM 803 OD1 ASP A 52 -1.251 -8.506 -2.815 1.00 0.00 O ATOM 804 OD2 ASP A 52 -0.034 -9.945 -1.627 1.00 0.00 O ATOM 0 H ASP A 52 2.164 -8.858 -5.318 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.176 -7.558 -4.569 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.720 -9.319 -3.428 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.676 -7.939 -2.348 1.00 0.00 H new ATOM 809 N ALA A 53 2.621 -6.040 -3.596 1.00 0.00 N ATOM 810 CA ALA A 53 3.194 -4.765 -3.200 1.00 0.00 C ATOM 811 C ALA A 53 2.705 -3.672 -4.153 1.00 0.00 C ATOM 812 O ALA A 53 2.230 -2.626 -3.713 1.00 0.00 O ATOM 813 CB ALA A 53 4.720 -4.876 -3.174 1.00 0.00 C ATOM 0 H ALA A 53 3.281 -6.817 -3.614 1.00 0.00 H new ATOM 0 HA ALA A 53 2.870 -4.495 -2.195 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.149 -3.919 -2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 53 5.017 -5.644 -2.460 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.082 -5.144 -4.167 1.00 0.00 H new ATOM 819 N PHE A 54 2.837 -3.953 -5.441 1.00 0.00 N ATOM 820 CA PHE A 54 2.414 -3.007 -6.460 1.00 0.00 C ATOM 821 C PHE A 54 0.948 -2.614 -6.269 1.00 0.00 C ATOM 822 O PHE A 54 0.640 -1.447 -6.034 1.00 0.00 O ATOM 823 CB PHE A 54 2.570 -3.707 -7.812 1.00 0.00 C ATOM 824 CG PHE A 54 1.689 -3.126 -8.919 1.00 0.00 C ATOM 825 CD1 PHE A 54 1.772 -1.805 -9.232 1.00 0.00 C ATOM 826 CD2 PHE A 54 0.821 -3.930 -9.590 1.00 0.00 C ATOM 827 CE1 PHE A 54 0.954 -1.265 -10.259 1.00 0.00 C ATOM 828 CE2 PHE A 54 0.003 -3.390 -10.617 1.00 0.00 C ATOM 829 CZ PHE A 54 0.086 -2.069 -10.930 1.00 0.00 C ATOM 0 H PHE A 54 3.231 -4.822 -5.802 1.00 0.00 H new ATOM 0 HA PHE A 54 3.016 -2.100 -6.399 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.613 -3.646 -8.123 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.334 -4.764 -7.691 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.461 -1.166 -8.699 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.754 -4.979 -9.342 1.00 0.00 H new ATOM 0 HE1 PHE A 54 1.021 -0.216 -10.507 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -0.686 -4.029 -11.150 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.537 -1.659 -11.711 1.00 0.00 H new ATOM 839 N GLN A 55 0.082 -3.611 -6.377 1.00 0.00 N ATOM 840 CA GLN A 55 -1.344 -3.384 -6.219 1.00 0.00 C ATOM 841 C GLN A 55 -1.624 -2.664 -4.899 1.00 0.00 C ATOM 842 O GLN A 55 -2.402 -1.712 -4.860 1.00 0.00 O ATOM 843 CB GLN A 55 -2.121 -4.700 -6.301 1.00 0.00 C ATOM 844 CG GLN A 55 -2.087 -5.269 -7.721 1.00 0.00 C ATOM 845 CD GLN A 55 -3.176 -4.639 -8.591 1.00 0.00 C ATOM 846 OE1 GLN A 55 -2.990 -3.607 -9.214 1.00 0.00 O ATOM 847 NE2 GLN A 55 -4.321 -5.317 -8.599 1.00 0.00 N ATOM 0 H GLN A 55 0.341 -4.578 -6.572 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.683 -2.748 -7.036 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -1.694 -5.423 -5.606 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.154 -4.536 -5.996 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -1.109 -5.086 -8.167 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.224 -6.350 -7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.410 -6.175 -8.054 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.110 -4.979 -9.150 1.00 0.00 H new ATOM 856 N ARG A 56 -0.974 -3.145 -3.850 1.00 0.00 N ATOM 857 CA ARG A 56 -1.143 -2.559 -2.531 1.00 0.00 C ATOM 858 C ARG A 56 -0.976 -1.040 -2.600 1.00 0.00 C ATOM 859 O ARG A 56 -1.884 -0.294 -2.237 1.00 0.00 O ATOM 860 CB ARG A 56 -0.129 -3.132 -1.539 1.00 0.00 C ATOM 861 CG ARG A 56 -0.652 -3.039 -0.104 1.00 0.00 C ATOM 862 CD ARG A 56 0.155 -3.939 0.833 1.00 0.00 C ATOM 863 NE ARG A 56 -0.583 -5.196 1.088 1.00 0.00 N ATOM 864 CZ ARG A 56 -1.804 -5.253 1.638 1.00 0.00 C ATOM 865 NH1 ARG A 56 -2.431 -4.123 1.994 1.00 0.00 N ATOM 866 NH2 ARG A 56 -2.398 -6.438 1.831 1.00 0.00 N ATOM 0 H ARG A 56 -0.329 -3.934 -3.886 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.148 -2.803 -2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 56 0.079 -4.173 -1.787 1.00 0.00 H new ATOM 0 HB3 ARG A 56 0.813 -2.590 -1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -0.597 -2.006 0.241 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -1.703 -3.328 -0.077 1.00 0.00 H new ATOM 0 HD2 ARG A 56 1.126 -4.161 0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 56 0.344 -3.422 1.774 1.00 0.00 H new ATOM 0 HE ARG A 56 -0.134 -6.075 0.829 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -1.979 -3.221 1.846 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.360 -4.165 2.413 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.921 -7.298 1.559 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -3.327 -6.481 2.250 1.00 0.00 H new ATOM 880 N LEU A 57 0.193 -0.626 -3.068 1.00 0.00 N ATOM 881 CA LEU A 57 0.491 0.791 -3.190 1.00 0.00 C ATOM 882 C LEU A 57 -0.484 1.430 -4.180 1.00 0.00 C ATOM 883 O LEU A 57 -1.108 2.445 -3.875 1.00 0.00 O ATOM 884 CB LEU A 57 1.962 1.000 -3.554 1.00 0.00 C ATOM 885 CG LEU A 57 2.378 2.438 -3.869 1.00 0.00 C ATOM 886 CD1 LEU A 57 2.064 2.794 -5.323 1.00 0.00 C ATOM 887 CD2 LEU A 57 1.737 3.421 -2.887 1.00 0.00 C ATOM 0 H LEU A 57 0.945 -1.247 -3.367 1.00 0.00 H new ATOM 0 HA LEU A 57 0.349 1.293 -2.233 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.575 0.638 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.193 0.378 -4.419 1.00 0.00 H new ATOM 0 HG LEU A 57 3.458 2.516 -3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.370 3.822 -5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 57 2.605 2.121 -5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.993 2.694 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.049 4.436 -3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.652 3.348 -2.956 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.053 3.180 -1.872 1.00 0.00 H new ATOM 899 N ARG A 58 -0.585 0.809 -5.346 1.00 0.00 N ATOM 900 CA ARG A 58 -1.474 1.305 -6.383 1.00 0.00 C ATOM 901 C ARG A 58 -2.839 1.659 -5.788 1.00 0.00 C ATOM 902 O ARG A 58 -3.562 2.489 -6.337 1.00 0.00 O ATOM 903 CB ARG A 58 -1.663 0.265 -7.490 1.00 0.00 C ATOM 904 CG ARG A 58 -1.370 0.869 -8.865 1.00 0.00 C ATOM 905 CD ARG A 58 -2.643 1.431 -9.500 1.00 0.00 C ATOM 906 NE ARG A 58 -3.254 0.418 -10.390 1.00 0.00 N ATOM 907 CZ ARG A 58 -4.259 0.672 -11.239 1.00 0.00 C ATOM 908 NH1 ARG A 58 -4.773 1.907 -11.318 1.00 0.00 N ATOM 909 NH2 ARG A 58 -4.750 -0.309 -12.008 1.00 0.00 N ATOM 0 H ARG A 58 -0.066 -0.033 -5.596 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.018 2.197 -6.812 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.002 -0.584 -7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.684 -0.116 -7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.628 1.661 -8.767 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -0.940 0.108 -9.516 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.351 1.718 -8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.409 2.332 -10.067 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.887 -0.533 -10.355 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.399 2.653 -10.732 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.538 2.101 -11.964 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.359 -1.249 -11.947 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.515 -0.116 -12.654 1.00 0.00 H new ATOM 923 N LYS A 59 -3.149 1.012 -4.674 1.00 0.00 N ATOM 924 CA LYS A 59 -4.413 1.249 -3.999 1.00 0.00 C ATOM 925 C LYS A 59 -4.228 2.345 -2.948 1.00 0.00 C ATOM 926 O LYS A 59 -5.128 3.154 -2.724 1.00 0.00 O ATOM 927 CB LYS A 59 -4.971 -0.058 -3.432 1.00 0.00 C ATOM 928 CG LYS A 59 -6.467 -0.189 -3.726 1.00 0.00 C ATOM 929 CD LYS A 59 -7.061 -1.407 -3.014 1.00 0.00 C ATOM 930 CE LYS A 59 -8.554 -1.545 -3.319 1.00 0.00 C ATOM 931 NZ LYS A 59 -9.080 -2.812 -2.764 1.00 0.00 N ATOM 0 H LYS A 59 -2.546 0.324 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.161 1.608 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.436 -0.904 -3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.804 -0.092 -2.355 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.985 0.714 -3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.624 -0.279 -4.801 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.537 -2.309 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.913 -1.312 -1.938 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.098 -0.701 -2.894 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.715 -1.518 -4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.094 -2.891 -2.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.573 -3.614 -3.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.943 -2.823 -1.733 1.00 0.00 H new ATOM 945 N ILE A 60 -3.056 2.337 -2.331 1.00 0.00 N ATOM 946 CA ILE A 60 -2.741 3.321 -1.309 1.00 0.00 C ATOM 947 C ILE A 60 -2.787 4.721 -1.923 1.00 0.00 C ATOM 948 O ILE A 60 -3.370 5.637 -1.345 1.00 0.00 O ATOM 949 CB ILE A 60 -1.407 2.988 -0.638 1.00 0.00 C ATOM 950 CG1 ILE A 60 -1.531 1.742 0.242 1.00 0.00 C ATOM 951 CG2 ILE A 60 -0.871 4.189 0.143 1.00 0.00 C ATOM 952 CD1 ILE A 60 -0.242 1.494 1.028 1.00 0.00 C ATOM 0 H ILE A 60 -2.312 1.665 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.487 3.296 -0.514 1.00 0.00 H new ATOM 0 HB ILE A 60 -0.681 2.760 -1.418 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.365 1.863 0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.755 0.875 -0.379 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.078 3.925 0.610 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.720 5.027 -0.537 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -1.588 4.472 0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.358 0.603 1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 60 0.586 1.350 0.333 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.034 2.353 1.666 1.00 0.00 H new ATOM 964 N GLU A 61 -2.166 4.843 -3.087 1.00 0.00 N ATOM 965 CA GLU A 61 -2.129 6.116 -3.786 1.00 0.00 C ATOM 966 C GLU A 61 -3.547 6.660 -3.973 1.00 0.00 C ATOM 967 O GLU A 61 -3.779 7.860 -3.829 1.00 0.00 O ATOM 968 CB GLU A 61 -1.412 5.983 -5.131 1.00 0.00 C ATOM 969 CG GLU A 61 0.060 5.617 -4.933 1.00 0.00 C ATOM 970 CD GLU A 61 0.859 6.816 -4.420 1.00 0.00 C ATOM 971 OE1 GLU A 61 0.658 7.915 -4.982 1.00 0.00 O ATOM 972 OE2 GLU A 61 1.653 6.608 -3.478 1.00 0.00 O ATOM 0 H GLU A 61 -1.684 4.081 -3.564 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.565 6.825 -3.179 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.902 5.219 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.487 6.921 -5.681 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.141 4.792 -4.225 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.482 5.271 -5.876 1.00 0.00 H new ATOM 979 N ILE A 62 -4.458 5.752 -4.289 1.00 0.00 N ATOM 980 CA ILE A 62 -5.847 6.127 -4.497 1.00 0.00 C ATOM 981 C ILE A 62 -6.388 6.786 -3.227 1.00 0.00 C ATOM 982 O ILE A 62 -6.794 7.947 -3.250 1.00 0.00 O ATOM 983 CB ILE A 62 -6.664 4.918 -4.959 1.00 0.00 C ATOM 984 CG1 ILE A 62 -6.079 4.317 -6.238 1.00 0.00 C ATOM 985 CG2 ILE A 62 -8.141 5.285 -5.121 1.00 0.00 C ATOM 986 CD1 ILE A 62 -6.719 2.964 -6.551 1.00 0.00 C ATOM 0 H ILE A 62 -4.262 4.758 -4.406 1.00 0.00 H new ATOM 0 HA ILE A 62 -5.928 6.862 -5.297 1.00 0.00 H new ATOM 0 HB ILE A 62 -6.605 4.150 -4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -6.240 5.001 -7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.001 4.197 -6.127 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -8.700 4.409 -5.450 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -8.537 5.630 -4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.240 6.078 -5.863 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.285 2.559 -7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.536 2.275 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -7.793 3.092 -6.685 1.00 0.00 H new ATOM 998 N LEU A 63 -6.377 6.016 -2.148 1.00 0.00 N ATOM 999 CA LEU A 63 -6.862 6.511 -0.871 1.00 0.00 C ATOM 1000 C LEU A 63 -6.360 7.941 -0.659 1.00 0.00 C ATOM 1001 O LEU A 63 -7.083 8.901 -0.920 1.00 0.00 O ATOM 1002 CB LEU A 63 -6.477 5.551 0.257 1.00 0.00 C ATOM 1003 CG LEU A 63 -7.021 4.126 0.139 1.00 0.00 C ATOM 1004 CD1 LEU A 63 -5.942 3.097 0.484 1.00 0.00 C ATOM 1005 CD2 LEU A 63 -8.278 3.947 0.992 1.00 0.00 C ATOM 0 H LEU A 63 -6.040 5.053 -2.132 1.00 0.00 H new ATOM 0 HA LEU A 63 -7.951 6.551 -0.867 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.389 5.500 0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.822 5.974 1.201 1.00 0.00 H new ATOM 0 HG LEU A 63 -7.309 3.955 -0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -6.355 2.092 0.392 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.101 3.208 -0.201 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.600 3.257 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -8.644 2.925 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -8.040 4.145 2.037 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.047 4.643 0.657 1.00 0.00 H new ATOM 1017 N THR A 64 -5.125 8.037 -0.188 1.00 0.00 N ATOM 1018 CA THR A 64 -4.519 9.334 0.062 1.00 0.00 C ATOM 1019 C THR A 64 -4.926 10.331 -1.024 1.00 0.00 C ATOM 1020 O THR A 64 -4.346 10.345 -2.108 1.00 0.00 O ATOM 1021 CB THR A 64 -3.005 9.135 0.168 1.00 0.00 C ATOM 1022 OG1 THR A 64 -2.524 10.386 0.651 1.00 0.00 O ATOM 1023 CG2 THR A 64 -2.338 8.982 -1.200 1.00 0.00 C ATOM 0 H THR A 64 -4.528 7.238 0.027 1.00 0.00 H new ATOM 0 HA THR A 64 -4.872 9.762 1.000 1.00 0.00 H new ATOM 0 HB THR A 64 -2.796 8.254 0.774 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.894 10.766 0.004 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.265 8.844 -1.068 1.00 0.00 H new ATOM 0 HG22 THR A 64 -2.755 8.116 -1.713 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.518 9.878 -1.795 1.00 0.00 H new ATOM 1031 N PRO A 65 -5.948 11.163 -0.686 1.00 0.00 N ATOM 1032 CA PRO A 65 -6.439 12.162 -1.619 1.00 0.00 C ATOM 1033 C PRO A 65 -5.469 13.340 -1.724 1.00 0.00 C ATOM 1034 O PRO A 65 -5.338 13.949 -2.785 1.00 0.00 O ATOM 1035 CB PRO A 65 -7.804 12.563 -1.084 1.00 0.00 C ATOM 1036 CG PRO A 65 -7.827 12.123 0.371 1.00 0.00 C ATOM 1037 CD PRO A 65 -6.658 11.175 0.589 1.00 0.00 C ATOM 0 HA PRO A 65 -6.521 11.781 -2.637 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.956 13.639 -1.169 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.602 12.082 -1.650 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.747 12.986 1.032 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -8.769 11.628 0.605 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.014 11.520 1.398 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.003 10.177 0.860 1.00 0.00 H new ATOM 1045 N GLU A 66 -4.812 13.626 -0.609 1.00 0.00 N ATOM 1046 CA GLU A 66 -3.857 14.720 -0.562 1.00 0.00 C ATOM 1047 C GLU A 66 -2.551 14.314 -1.248 1.00 0.00 C ATOM 1048 O GLU A 66 -1.672 13.726 -0.619 1.00 0.00 O ATOM 1049 CB GLU A 66 -3.605 15.165 0.879 1.00 0.00 C ATOM 1050 CG GLU A 66 -3.840 16.669 1.038 1.00 0.00 C ATOM 1051 CD GLU A 66 -2.777 17.298 1.940 1.00 0.00 C ATOM 1052 OE1 GLU A 66 -1.722 17.684 1.390 1.00 0.00 O ATOM 1053 OE2 GLU A 66 -3.042 17.380 3.159 1.00 0.00 O ATOM 0 H GLU A 66 -4.923 13.119 0.269 1.00 0.00 H new ATOM 0 HA GLU A 66 -4.278 15.569 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.264 14.617 1.553 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -2.582 14.921 1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -3.822 17.149 0.059 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -4.830 16.843 1.460 1.00 0.00 H new ATOM 1060 N VAL A 67 -2.465 14.643 -2.528 1.00 0.00 N ATOM 1061 CA VAL A 67 -1.280 14.321 -3.306 1.00 0.00 C ATOM 1062 C VAL A 67 -0.916 15.514 -4.191 1.00 0.00 C ATOM 1063 O VAL A 67 0.092 16.179 -3.959 1.00 0.00 O ATOM 1064 CB VAL A 67 -1.511 13.034 -4.101 1.00 0.00 C ATOM 1065 CG1 VAL A 67 -0.310 12.719 -4.995 1.00 0.00 C ATOM 1066 CG2 VAL A 67 -1.824 11.862 -3.169 1.00 0.00 C ATOM 0 H VAL A 67 -3.196 15.129 -3.047 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.431 14.134 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.376 13.189 -4.745 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -0.500 11.800 -5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -0.153 13.539 -5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.580 12.594 -4.378 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.984 10.960 -3.760 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -0.988 11.706 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.724 12.084 -2.595 1.00 0.00 H new ATOM 1076 N ASN A 68 -1.757 15.749 -5.188 1.00 0.00 N ATOM 1077 CA ASN A 68 -1.536 16.850 -6.109 1.00 0.00 C ATOM 1078 C ASN A 68 -2.754 16.997 -7.023 1.00 0.00 C ATOM 1079 O ASN A 68 -3.214 18.109 -7.277 1.00 0.00 O ATOM 1080 CB ASN A 68 -0.312 16.594 -6.991 1.00 0.00 C ATOM 1081 CG ASN A 68 0.550 17.852 -7.110 1.00 0.00 C ATOM 1082 OD1 ASN A 68 0.083 18.972 -6.980 1.00 0.00 O ATOM 1083 ND2 ASN A 68 1.832 17.607 -7.366 1.00 0.00 N ATOM 0 H ASN A 68 -2.592 15.195 -5.378 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.374 17.753 -5.521 1.00 0.00 H new ATOM 0 HB2 ASN A 68 0.280 15.781 -6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -0.634 16.274 -7.982 1.00 0.00 H new ATOM 0 HD21 ASN A 68 2.489 18.381 -7.465 1.00 0.00 H new ATOM 0 HD22 ASN A 68 2.158 16.645 -7.463 1.00 0.00 H new ATOM 1090 N LYS A 69 -3.242 15.858 -7.493 1.00 0.00 N ATOM 1091 CA LYS A 69 -4.398 15.846 -8.373 1.00 0.00 C ATOM 1092 C LYS A 69 -4.807 14.398 -8.650 1.00 0.00 C ATOM 1093 O LYS A 69 -5.994 14.075 -8.656 1.00 0.00 O ATOM 1094 CB LYS A 69 -4.117 16.658 -9.639 1.00 0.00 C ATOM 1095 CG LYS A 69 -2.680 16.445 -10.119 1.00 0.00 C ATOM 1096 CD LYS A 69 -2.614 16.393 -11.647 1.00 0.00 C ATOM 1097 CE LYS A 69 -1.678 17.473 -12.192 1.00 0.00 C ATOM 1098 NZ LYS A 69 -2.252 18.090 -13.409 1.00 0.00 N ATOM 0 H LYS A 69 -2.858 14.937 -7.281 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.247 16.332 -7.893 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -4.814 16.366 -10.425 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.285 17.717 -9.441 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.047 17.252 -9.751 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.288 15.517 -9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -2.266 15.410 -11.966 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -3.613 16.529 -12.063 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.514 18.237 -11.432 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.705 17.038 -12.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.604 18.821 -13.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.386 17.360 -14.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.169 18.523 -13.179 1.00 0.00 H new ATOM 1112 N GLY A 70 -3.802 13.565 -8.874 1.00 0.00 N ATOM 1113 CA GLY A 70 -4.042 12.159 -9.151 1.00 0.00 C ATOM 1114 C GLY A 70 -5.187 11.985 -10.151 1.00 0.00 C ATOM 1115 O GLY A 70 -6.353 11.935 -9.762 1.00 0.00 O ATOM 0 H GLY A 70 -2.819 13.837 -8.869 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -3.135 11.703 -9.548 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.281 11.638 -8.224 1.00 0.00 H new ATOM 1119 N SER A 71 -4.814 11.899 -11.420 1.00 0.00 N ATOM 1120 CA SER A 71 -5.796 11.731 -12.478 1.00 0.00 C ATOM 1121 C SER A 71 -5.122 11.172 -13.733 1.00 0.00 C ATOM 1122 O SER A 71 -4.354 11.870 -14.393 1.00 0.00 O ATOM 1123 CB SER A 71 -6.494 13.055 -12.796 1.00 0.00 C ATOM 1124 OG SER A 71 -5.562 14.103 -13.051 1.00 0.00 O ATOM 0 H SER A 71 -3.846 11.942 -11.739 1.00 0.00 H new ATOM 0 HA SER A 71 -6.552 11.025 -12.134 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.140 12.925 -13.665 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.136 13.336 -11.961 1.00 0.00 H new ATOM 0 HG SER A 71 -4.766 13.734 -13.488 1.00 0.00 H new ATOM 1130 N GLY A 72 -5.434 9.918 -14.024 1.00 0.00 N ATOM 1131 CA GLY A 72 -4.869 9.257 -15.188 1.00 0.00 C ATOM 1132 C GLY A 72 -4.878 10.185 -16.404 1.00 0.00 C ATOM 1133 O GLY A 72 -5.916 10.376 -17.036 1.00 0.00 O ATOM 0 H GLY A 72 -6.071 9.342 -13.474 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.847 8.944 -14.973 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.439 8.355 -15.410 1.00 0.00 H new ATOM 1137 N PRO A 73 -3.679 10.752 -16.704 1.00 0.00 N ATOM 1138 CA PRO A 73 -3.540 11.656 -17.833 1.00 0.00 C ATOM 1139 C PRO A 73 -3.545 10.885 -19.155 1.00 0.00 C ATOM 1140 O PRO A 73 -2.571 10.926 -19.905 1.00 0.00 O ATOM 1141 CB PRO A 73 -2.238 12.399 -17.584 1.00 0.00 C ATOM 1142 CG PRO A 73 -1.467 11.563 -16.575 1.00 0.00 C ATOM 1143 CD PRO A 73 -2.429 10.549 -15.978 1.00 0.00 C ATOM 0 HA PRO A 73 -4.372 12.355 -17.918 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -1.672 12.516 -18.508 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -2.428 13.400 -17.198 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -0.631 11.057 -17.058 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.048 12.198 -15.794 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.059 9.531 -16.103 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.562 10.711 -14.908 1.00 0.00 H new ATOM 1151 N SER A 74 -4.653 10.201 -19.400 1.00 0.00 N ATOM 1152 CA SER A 74 -4.798 9.423 -20.619 1.00 0.00 C ATOM 1153 C SER A 74 -5.343 10.307 -21.742 1.00 0.00 C ATOM 1154 O SER A 74 -5.807 11.418 -21.493 1.00 0.00 O ATOM 1155 CB SER A 74 -5.715 8.219 -20.398 1.00 0.00 C ATOM 1156 OG SER A 74 -5.786 7.383 -21.549 1.00 0.00 O ATOM 0 H SER A 74 -5.459 10.169 -18.775 1.00 0.00 H new ATOM 0 HA SER A 74 -3.815 9.049 -20.905 1.00 0.00 H new ATOM 0 HB2 SER A 74 -5.352 7.638 -19.550 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.715 8.568 -20.141 1.00 0.00 H new ATOM 0 HG SER A 74 -6.380 6.625 -21.367 1.00 0.00 H new ATOM 1162 N SER A 75 -5.270 9.779 -22.955 1.00 0.00 N ATOM 1163 CA SER A 75 -5.751 10.506 -24.118 1.00 0.00 C ATOM 1164 C SER A 75 -4.966 11.809 -24.282 1.00 0.00 C ATOM 1165 O SER A 75 -4.513 12.393 -23.299 1.00 0.00 O ATOM 1166 CB SER A 75 -7.248 10.799 -24.004 1.00 0.00 C ATOM 1167 OG SER A 75 -7.992 9.641 -23.637 1.00 0.00 O ATOM 0 H SER A 75 -4.885 8.856 -23.158 1.00 0.00 H new ATOM 0 HA SER A 75 -5.596 9.883 -24.999 1.00 0.00 H new ATOM 0 HB2 SER A 75 -7.409 11.583 -23.264 1.00 0.00 H new ATOM 0 HB3 SER A 75 -7.616 11.180 -24.957 1.00 0.00 H new ATOM 0 HG SER A 75 -8.943 9.870 -23.573 1.00 0.00 H new ATOM 1173 N GLY A 76 -4.828 12.226 -25.532 1.00 0.00 N ATOM 1174 CA GLY A 76 -4.106 13.449 -25.838 1.00 0.00 C ATOM 1175 C GLY A 76 -5.032 14.490 -26.469 1.00 0.00 C ATOM 1176 O GLY A 76 -5.789 14.177 -27.388 1.00 0.00 O ATOM 0 H GLY A 76 -5.204 11.738 -26.345 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -3.666 13.853 -24.926 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -3.283 13.229 -26.518 1.00 0.00 H new TER 1180 GLY A 76