USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 593 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 29 HIS : no HE2:sc= 0.203 K(o=1.3,f=-5.1!) USER MOD Set 1.2: A 61 THR OG1 : rot 79:sc= 1.07 USER MOD Set 2.1: A 13 MET CE :methyl -172:sc=-0.00645 (180deg=-0.137) USER MOD Set 2.2: A 42 ASN : amide:sc= 0.953 K(o=0.95,f=-5.8!) USER MOD Set 3.1: A 34 TYR OH : rot -154:sc= 1.22 USER MOD Set 3.2: A 36 SER OG : rot 180:sc= 1.02 USER MOD Set 4.1: A 17 SER OG : rot 180:sc= 0.241 USER MOD Set 4.2: A 18 CYS SG : rot 109:sc= 0.0972 USER MOD Set 5.1: A 14 THR OG1 : rot -74:sc= 0.21 USER MOD Set 5.2: A 15 CYS SG : rot 180:sc= 0.209 USER MOD Single : A 1 MET CE :methyl -176:sc= 0 (180deg=-0.0238) USER MOD Single : A 1 MET N :NH3+ 171:sc= 1.37 (180deg=1.2) USER MOD Single : A 20 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.011) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -160:sc= 0 USER MOD Single : A 27 THR OG1 : rot -83:sc= 1.22 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 27:sc= 0.0283 USER MOD Single : A 41 THR OG1 : rot -37:sc= 0.94 USER MOD Single : A 43 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1) USER MOD Single : A 45 HIS : no HE2:sc= 0.339 K(o=0.34,f=-6!) USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= 0.696 (180deg=-0.202) USER MOD Single : A 48 TYR OH : rot 130:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.63) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 16:sc= 0.592 USER MOD Single : A 73 LYS NZ :NH3+ -172:sc= 1.25 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.353 5.091 -17.206 1.00 8.49 N ATOM 2 CA MET A 1 0.797 5.100 -18.122 1.00 7.48 C ATOM 3 C MET A 1 1.630 6.303 -17.714 1.00 6.21 C ATOM 4 O MET A 1 1.046 7.221 -17.143 1.00 6.85 O ATOM 5 CB MET A 1 0.364 5.215 -19.590 1.00 8.47 C ATOM 6 CG MET A 1 -0.387 3.972 -20.085 1.00 9.84 C ATOM 7 SD MET A 1 -0.665 3.895 -21.874 1.00 10.90 S ATOM 8 CE MET A 1 -1.698 5.355 -22.131 1.00 12.05 C ATOM 0 H1 MET A 1 -1.045 4.383 -17.524 1.00 8.49 H new ATOM 0 H2 MET A 1 -0.031 4.853 -16.246 1.00 8.49 H new ATOM 0 H3 MET A 1 -0.798 6.031 -17.199 1.00 8.49 H new ATOM 0 HA MET A 1 1.356 4.167 -18.052 1.00 7.48 H new ATOM 0 HB2 MET A 1 -0.274 6.091 -19.709 1.00 8.47 H new ATOM 0 HB3 MET A 1 1.244 5.375 -20.213 1.00 8.47 H new ATOM 0 HG2 MET A 1 0.171 3.086 -19.782 1.00 9.84 H new ATOM 0 HG3 MET A 1 -1.353 3.927 -19.582 1.00 9.84 H new ATOM 0 HE1 MET A 1 -2.009 5.401 -23.175 1.00 12.05 H new ATOM 0 HE2 MET A 1 -2.579 5.295 -21.492 1.00 12.05 H new ATOM 0 HE3 MET A 1 -1.130 6.251 -21.882 1.00 12.05 H new ATOM 20 N GLY A 2 2.945 6.292 -17.957 1.00 5.17 N ATOM 21 CA GLY A 2 3.834 7.280 -17.359 1.00 4.82 C ATOM 22 C GLY A 2 3.668 7.245 -15.839 1.00 4.29 C ATOM 23 O GLY A 2 3.426 8.271 -15.209 1.00 5.19 O ATOM 0 H GLY A 2 3.410 5.613 -18.560 1.00 5.17 H new ATOM 0 HA2 GLY A 2 4.868 7.068 -17.630 1.00 4.82 H new ATOM 0 HA3 GLY A 2 3.602 8.275 -17.740 1.00 4.82 H new ATOM 27 N ASP A 3 3.740 6.034 -15.280 1.00 3.32 N ATOM 28 CA ASP A 3 3.484 5.737 -13.883 1.00 2.82 C ATOM 29 C ASP A 3 4.363 4.553 -13.489 1.00 1.83 C ATOM 30 O ASP A 3 4.978 3.930 -14.356 1.00 2.47 O ATOM 31 CB ASP A 3 1.987 5.431 -13.670 1.00 3.64 C ATOM 32 CG ASP A 3 1.544 4.063 -14.180 1.00 3.99 C ATOM 33 OD1 ASP A 3 2.058 3.037 -13.687 1.00 4.36 O ATOM 34 OD2 ASP A 3 0.591 3.990 -14.995 1.00 4.75 O ATOM 0 H ASP A 3 3.989 5.204 -15.818 1.00 3.32 H new ATOM 0 HA ASP A 3 3.727 6.593 -13.253 1.00 2.82 H new ATOM 0 HB2 ASP A 3 1.763 5.498 -12.605 1.00 3.64 H new ATOM 0 HB3 ASP A 3 1.397 6.200 -14.169 1.00 3.64 H new ATOM 39 N GLY A 4 4.385 4.240 -12.194 1.00 1.10 N ATOM 40 CA GLY A 4 4.877 2.989 -11.656 1.00 1.18 C ATOM 41 C GLY A 4 3.725 2.250 -10.974 1.00 1.14 C ATOM 42 O GLY A 4 2.712 2.846 -10.598 1.00 1.61 O ATOM 0 H GLY A 4 4.048 4.877 -11.473 1.00 1.10 H new ATOM 0 HA2 GLY A 4 5.297 2.376 -12.453 1.00 1.18 H new ATOM 0 HA3 GLY A 4 5.679 3.176 -10.942 1.00 1.18 H new ATOM 46 N VAL A 5 3.907 0.942 -10.784 1.00 0.90 N ATOM 47 CA VAL A 5 3.041 0.076 -10.000 1.00 0.84 C ATOM 48 C VAL A 5 3.829 -0.378 -8.774 1.00 0.83 C ATOM 49 O VAL A 5 5.056 -0.437 -8.830 1.00 1.09 O ATOM 50 CB VAL A 5 2.541 -1.095 -10.871 1.00 0.95 C ATOM 51 CG1 VAL A 5 3.678 -1.924 -11.484 1.00 1.78 C ATOM 52 CG2 VAL A 5 1.610 -2.026 -10.085 1.00 2.11 C ATOM 0 H VAL A 5 4.697 0.441 -11.192 1.00 0.90 H new ATOM 0 HA VAL A 5 2.147 0.599 -9.659 1.00 0.84 H new ATOM 0 HB VAL A 5 1.990 -0.628 -11.687 1.00 0.95 H new ATOM 0 HG11 VAL A 5 3.257 -2.731 -12.084 1.00 1.78 H new ATOM 0 HG12 VAL A 5 4.294 -1.285 -12.116 1.00 1.78 H new ATOM 0 HG13 VAL A 5 4.291 -2.346 -10.688 1.00 1.78 H new ATOM 0 HG21 VAL A 5 1.278 -2.839 -10.731 1.00 2.11 H new ATOM 0 HG22 VAL A 5 2.145 -2.438 -9.229 1.00 2.11 H new ATOM 0 HG23 VAL A 5 0.744 -1.464 -9.735 1.00 2.11 H new ATOM 62 N LEU A 6 3.136 -0.674 -7.675 1.00 0.84 N ATOM 63 CA LEU A 6 3.712 -1.118 -6.418 1.00 0.84 C ATOM 64 C LEU A 6 2.773 -2.178 -5.847 1.00 0.68 C ATOM 65 O LEU A 6 1.656 -1.842 -5.460 1.00 0.91 O ATOM 66 CB LEU A 6 3.841 0.103 -5.497 1.00 1.20 C ATOM 67 CG LEU A 6 4.254 -0.216 -4.055 1.00 1.68 C ATOM 68 CD1 LEU A 6 5.615 -0.910 -4.024 1.00 1.78 C ATOM 69 CD2 LEU A 6 4.331 1.084 -3.248 1.00 2.59 C ATOM 0 H LEU A 6 2.119 -0.607 -7.640 1.00 0.84 H new ATOM 0 HA LEU A 6 4.704 -1.554 -6.534 1.00 0.84 H new ATOM 0 HB2 LEU A 6 4.573 0.788 -5.926 1.00 1.20 H new ATOM 0 HB3 LEU A 6 2.886 0.628 -5.478 1.00 1.20 H new ATOM 0 HG LEU A 6 3.510 -0.883 -3.619 1.00 1.68 H new ATOM 0 HD11 LEU A 6 5.889 -1.127 -2.992 1.00 1.78 H new ATOM 0 HD12 LEU A 6 5.562 -1.841 -4.589 1.00 1.78 H new ATOM 0 HD13 LEU A 6 6.366 -0.258 -4.469 1.00 1.78 H new ATOM 0 HD21 LEU A 6 4.624 0.859 -2.223 1.00 2.59 H new ATOM 0 HD22 LEU A 6 5.068 1.749 -3.699 1.00 2.59 H new ATOM 0 HD23 LEU A 6 3.356 1.570 -3.248 1.00 2.59 H new ATOM 81 N GLU A 7 3.199 -3.447 -5.834 1.00 0.57 N ATOM 82 CA GLU A 7 2.386 -4.563 -5.363 1.00 0.58 C ATOM 83 C GLU A 7 3.077 -5.289 -4.235 1.00 0.71 C ATOM 84 O GLU A 7 4.088 -5.959 -4.454 1.00 0.96 O ATOM 85 CB GLU A 7 2.058 -5.534 -6.497 1.00 0.76 C ATOM 86 CG GLU A 7 0.889 -4.905 -7.237 1.00 1.16 C ATOM 87 CD GLU A 7 0.466 -5.669 -8.474 1.00 1.20 C ATOM 88 OE1 GLU A 7 1.291 -5.784 -9.404 1.00 2.52 O ATOM 89 OE2 GLU A 7 -0.700 -6.132 -8.458 1.00 1.74 O ATOM 0 H GLU A 7 4.127 -3.725 -6.154 1.00 0.57 H new ATOM 0 HA GLU A 7 1.448 -4.151 -4.991 1.00 0.58 H new ATOM 0 HB2 GLU A 7 2.914 -5.671 -7.158 1.00 0.76 H new ATOM 0 HB3 GLU A 7 1.794 -6.518 -6.109 1.00 0.76 H new ATOM 0 HG2 GLU A 7 0.039 -4.831 -6.559 1.00 1.16 H new ATOM 0 HG3 GLU A 7 1.157 -3.888 -7.523 1.00 1.16 H new ATOM 96 N LEU A 8 2.482 -5.175 -3.050 1.00 0.69 N ATOM 97 CA LEU A 8 2.930 -5.843 -1.850 1.00 0.81 C ATOM 98 C LEU A 8 1.808 -6.686 -1.275 1.00 0.70 C ATOM 99 O LEU A 8 0.651 -6.269 -1.312 1.00 0.60 O ATOM 100 CB LEU A 8 3.500 -4.812 -0.859 1.00 0.94 C ATOM 101 CG LEU A 8 2.570 -3.655 -0.463 1.00 1.12 C ATOM 102 CD1 LEU A 8 1.776 -3.995 0.806 1.00 2.29 C ATOM 103 CD2 LEU A 8 3.402 -2.392 -0.212 1.00 1.55 C ATOM 0 H LEU A 8 1.654 -4.598 -2.903 1.00 0.69 H new ATOM 0 HA LEU A 8 3.743 -6.532 -2.080 1.00 0.81 H new ATOM 0 HB2 LEU A 8 3.795 -5.338 0.049 1.00 0.94 H new ATOM 0 HB3 LEU A 8 4.407 -4.388 -1.291 1.00 0.94 H new ATOM 0 HG LEU A 8 1.867 -3.487 -1.279 1.00 1.12 H new ATOM 0 HD11 LEU A 8 1.126 -3.159 1.063 1.00 2.29 H new ATOM 0 HD12 LEU A 8 1.171 -4.884 0.629 1.00 2.29 H new ATOM 0 HD13 LEU A 8 2.467 -4.184 1.628 1.00 2.29 H new ATOM 0 HD21 LEU A 8 2.742 -1.571 0.069 1.00 1.55 H new ATOM 0 HD22 LEU A 8 4.112 -2.578 0.593 1.00 1.55 H new ATOM 0 HD23 LEU A 8 3.944 -2.127 -1.120 1.00 1.55 H new ATOM 115 N VAL A 9 2.159 -7.859 -0.743 1.00 0.79 N ATOM 116 CA VAL A 9 1.266 -8.635 0.094 1.00 0.77 C ATOM 117 C VAL A 9 1.273 -7.965 1.469 1.00 0.72 C ATOM 118 O VAL A 9 2.325 -7.511 1.929 1.00 0.77 O ATOM 119 CB VAL A 9 1.672 -10.123 0.115 1.00 0.93 C ATOM 120 CG1 VAL A 9 2.998 -10.402 0.832 1.00 1.41 C ATOM 121 CG2 VAL A 9 0.575 -10.988 0.747 1.00 1.94 C ATOM 0 H VAL A 9 3.072 -8.290 -0.885 1.00 0.79 H new ATOM 0 HA VAL A 9 0.247 -8.645 -0.292 1.00 0.77 H new ATOM 0 HB VAL A 9 1.810 -10.387 -0.933 1.00 0.93 H new ATOM 0 HG11 VAL A 9 3.210 -11.471 0.802 1.00 1.41 H new ATOM 0 HG12 VAL A 9 3.802 -9.858 0.335 1.00 1.41 H new ATOM 0 HG13 VAL A 9 2.926 -10.076 1.869 1.00 1.41 H new ATOM 0 HG21 VAL A 9 0.890 -12.032 0.748 1.00 1.94 H new ATOM 0 HG22 VAL A 9 0.399 -10.661 1.772 1.00 1.94 H new ATOM 0 HG23 VAL A 9 -0.345 -10.887 0.171 1.00 1.94 H new ATOM 131 N VAL A 10 0.094 -7.851 2.084 1.00 0.71 N ATOM 132 CA VAL A 10 -0.071 -7.292 3.418 1.00 0.67 C ATOM 133 C VAL A 10 -0.351 -8.439 4.382 1.00 0.68 C ATOM 134 O VAL A 10 -0.853 -9.489 3.982 1.00 1.25 O ATOM 135 CB VAL A 10 -1.186 -6.226 3.481 1.00 0.88 C ATOM 136 CG1 VAL A 10 -0.651 -4.965 4.165 1.00 1.52 C ATOM 137 CG2 VAL A 10 -1.795 -5.846 2.129 1.00 1.92 C ATOM 0 H VAL A 10 -0.783 -8.150 1.659 1.00 0.71 H new ATOM 0 HA VAL A 10 0.847 -6.776 3.699 1.00 0.67 H new ATOM 0 HB VAL A 10 -1.993 -6.683 4.053 1.00 0.88 H new ATOM 0 HG11 VAL A 10 -1.439 -4.213 4.209 1.00 1.52 H new ATOM 0 HG12 VAL A 10 -0.326 -5.210 5.176 1.00 1.52 H new ATOM 0 HG13 VAL A 10 0.193 -4.573 3.597 1.00 1.52 H new ATOM 0 HG21 VAL A 10 -2.568 -5.092 2.277 1.00 1.92 H new ATOM 0 HG22 VAL A 10 -1.017 -5.445 1.479 1.00 1.92 H new ATOM 0 HG23 VAL A 10 -2.234 -6.730 1.667 1.00 1.92 H new ATOM 147 N ARG A 11 0.011 -8.249 5.649 1.00 0.55 N ATOM 148 CA ARG A 11 -0.052 -9.278 6.669 1.00 0.65 C ATOM 149 C ARG A 11 -0.592 -8.668 7.958 1.00 0.69 C ATOM 150 O ARG A 11 -0.143 -7.607 8.382 1.00 0.74 O ATOM 151 CB ARG A 11 1.359 -9.842 6.870 1.00 0.90 C ATOM 152 CG ARG A 11 1.767 -10.896 5.837 1.00 1.35 C ATOM 153 CD ARG A 11 1.312 -12.285 6.293 1.00 2.50 C ATOM 154 NE ARG A 11 1.576 -13.309 5.270 1.00 4.03 N ATOM 155 CZ ARG A 11 2.775 -13.860 5.013 1.00 4.65 C ATOM 156 NH1 ARG A 11 3.856 -13.455 5.688 1.00 4.14 N ATOM 157 NH2 ARG A 11 2.885 -14.814 4.081 1.00 6.31 N ATOM 0 H ARG A 11 0.362 -7.356 5.996 1.00 0.55 H new ATOM 0 HA ARG A 11 -0.718 -10.088 6.371 1.00 0.65 H new ATOM 0 HB2 ARG A 11 2.075 -9.021 6.836 1.00 0.90 H new ATOM 0 HB3 ARG A 11 1.424 -10.281 7.866 1.00 0.90 H new ATOM 0 HG2 ARG A 11 1.324 -10.659 4.870 1.00 1.35 H new ATOM 0 HG3 ARG A 11 2.849 -10.885 5.703 1.00 1.35 H new ATOM 0 HD2 ARG A 11 1.827 -12.552 7.216 1.00 2.50 H new ATOM 0 HD3 ARG A 11 0.246 -12.263 6.518 1.00 2.50 H new ATOM 0 HE ARG A 11 0.785 -13.627 4.710 1.00 4.03 H new ATOM 0 HH11 ARG A 11 3.771 -12.728 6.398 1.00 4.14 H new ATOM 0 HH12 ARG A 11 4.766 -13.873 5.493 1.00 4.14 H new ATOM 0 HH21 ARG A 11 2.060 -15.122 3.567 1.00 6.31 H new ATOM 0 HH22 ARG A 11 3.794 -15.233 3.885 1.00 6.31 H new ATOM 171 N GLY A 12 -1.582 -9.341 8.552 1.00 1.04 N ATOM 172 CA GLY A 12 -2.331 -8.842 9.701 1.00 1.10 C ATOM 173 C GLY A 12 -3.440 -7.887 9.254 1.00 1.10 C ATOM 174 O GLY A 12 -4.067 -7.222 10.074 1.00 1.84 O ATOM 0 H GLY A 12 -1.888 -10.263 8.240 1.00 1.04 H new ATOM 0 HA2 GLY A 12 -2.764 -9.678 10.249 1.00 1.10 H new ATOM 0 HA3 GLY A 12 -1.656 -8.328 10.385 1.00 1.10 H new ATOM 178 N MET A 13 -3.671 -7.821 7.943 1.00 1.01 N ATOM 179 CA MET A 13 -4.577 -6.910 7.282 1.00 1.14 C ATOM 180 C MET A 13 -5.833 -7.705 6.945 1.00 1.14 C ATOM 181 O MET A 13 -5.724 -8.774 6.342 1.00 1.59 O ATOM 182 CB MET A 13 -3.843 -6.427 6.026 1.00 1.84 C ATOM 183 CG MET A 13 -4.365 -5.103 5.477 1.00 1.17 C ATOM 184 SD MET A 13 -6.073 -5.039 4.880 1.00 2.17 S ATOM 185 CE MET A 13 -6.018 -6.259 3.554 1.00 1.32 C ATOM 0 H MET A 13 -3.199 -8.441 7.285 1.00 1.01 H new ATOM 0 HA MET A 13 -4.867 -6.048 7.883 1.00 1.14 H new ATOM 0 HB2 MET A 13 -2.782 -6.322 6.255 1.00 1.84 H new ATOM 0 HB3 MET A 13 -3.928 -7.189 5.251 1.00 1.84 H new ATOM 0 HG2 MET A 13 -4.258 -4.352 6.260 1.00 1.17 H new ATOM 0 HG3 MET A 13 -3.714 -4.803 4.656 1.00 1.17 H new ATOM 0 HE1 MET A 13 -6.954 -6.233 2.996 1.00 1.32 H new ATOM 0 HE2 MET A 13 -5.190 -6.030 2.883 1.00 1.32 H new ATOM 0 HE3 MET A 13 -5.877 -7.253 3.979 1.00 1.32 H new ATOM 195 N THR A 14 -7.011 -7.235 7.353 1.00 1.09 N ATOM 196 CA THR A 14 -8.259 -7.934 7.098 1.00 1.50 C ATOM 197 C THR A 14 -9.428 -6.959 7.191 1.00 1.61 C ATOM 198 O THR A 14 -9.348 -5.947 7.883 1.00 3.13 O ATOM 199 CB THR A 14 -8.416 -9.119 8.069 1.00 1.76 C ATOM 200 OG1 THR A 14 -9.643 -9.781 7.825 1.00 2.58 O ATOM 201 CG2 THR A 14 -8.363 -8.687 9.539 1.00 1.43 C ATOM 0 H THR A 14 -7.122 -6.361 7.868 1.00 1.09 H new ATOM 0 HA THR A 14 -8.248 -8.343 6.088 1.00 1.50 H new ATOM 0 HB THR A 14 -7.576 -9.790 7.890 1.00 1.76 H new ATOM 0 HG1 THR A 14 -10.383 -9.235 8.165 1.00 2.58 H new ATOM 0 HG21 THR A 14 -8.479 -9.561 10.180 1.00 1.43 H new ATOM 0 HG22 THR A 14 -7.404 -8.211 9.744 1.00 1.43 H new ATOM 0 HG23 THR A 14 -9.169 -7.981 9.740 1.00 1.43 H new ATOM 209 N CYS A 15 -10.522 -7.309 6.511 1.00 1.09 N ATOM 210 CA CYS A 15 -11.803 -6.615 6.535 1.00 0.97 C ATOM 211 C CYS A 15 -11.729 -5.216 5.925 1.00 0.87 C ATOM 212 O CYS A 15 -10.659 -4.638 5.729 1.00 1.30 O ATOM 213 CB CYS A 15 -12.404 -6.601 7.951 1.00 1.15 C ATOM 214 SG CYS A 15 -12.742 -8.297 8.481 1.00 2.71 S ATOM 0 H CYS A 15 -10.535 -8.125 5.900 1.00 1.09 H new ATOM 0 HA CYS A 15 -12.481 -7.182 5.897 1.00 0.97 H new ATOM 0 HB2 CYS A 15 -11.714 -6.123 8.646 1.00 1.15 H new ATOM 0 HB3 CYS A 15 -13.323 -6.016 7.961 1.00 1.15 H new ATOM 0 HG CYS A 15 -13.248 -8.285 9.679 1.00 2.71 H new ATOM 220 N ALA A 16 -12.911 -4.672 5.618 1.00 0.70 N ATOM 221 CA ALA A 16 -13.073 -3.353 5.026 1.00 0.71 C ATOM 222 C ALA A 16 -12.276 -2.306 5.802 1.00 0.71 C ATOM 223 O ALA A 16 -11.611 -1.474 5.204 1.00 1.24 O ATOM 224 CB ALA A 16 -14.557 -2.990 4.997 1.00 0.90 C ATOM 0 H ALA A 16 -13.796 -5.152 5.780 1.00 0.70 H new ATOM 0 HA ALA A 16 -12.688 -3.372 4.006 1.00 0.71 H new ATOM 0 HB1 ALA A 16 -14.681 -2.002 4.554 1.00 0.90 H new ATOM 0 HB2 ALA A 16 -15.100 -3.725 4.403 1.00 0.90 H new ATOM 0 HB3 ALA A 16 -14.950 -2.984 6.014 1.00 0.90 H new ATOM 230 N SER A 17 -12.349 -2.372 7.132 1.00 0.49 N ATOM 231 CA SER A 17 -11.646 -1.512 8.076 1.00 0.57 C ATOM 232 C SER A 17 -10.177 -1.255 7.716 1.00 0.51 C ATOM 233 O SER A 17 -9.813 -0.158 7.298 1.00 0.69 O ATOM 234 CB SER A 17 -11.764 -2.152 9.448 1.00 0.84 C ATOM 235 OG SER A 17 -11.315 -3.499 9.412 1.00 0.92 O ATOM 0 H SER A 17 -12.932 -3.065 7.601 1.00 0.49 H new ATOM 0 HA SER A 17 -12.110 -0.526 8.051 1.00 0.57 H new ATOM 0 HB2 SER A 17 -11.176 -1.586 10.171 1.00 0.84 H new ATOM 0 HB3 SER A 17 -12.801 -2.117 9.783 1.00 0.84 H new ATOM 0 HG SER A 17 -11.397 -3.895 10.305 1.00 0.92 H new ATOM 241 N CYS A 18 -9.316 -2.255 7.916 1.00 0.55 N ATOM 242 CA CYS A 18 -7.898 -2.170 7.597 1.00 0.58 C ATOM 243 C CYS A 18 -7.726 -1.652 6.173 1.00 0.62 C ATOM 244 O CYS A 18 -6.908 -0.769 5.929 1.00 0.73 O ATOM 245 CB CYS A 18 -7.226 -3.537 7.737 1.00 0.83 C ATOM 246 SG CYS A 18 -7.262 -4.127 9.447 1.00 1.18 S ATOM 0 H CYS A 18 -9.592 -3.155 8.309 1.00 0.55 H new ATOM 0 HA CYS A 18 -7.424 -1.482 8.297 1.00 0.58 H new ATOM 0 HB2 CYS A 18 -7.729 -4.258 7.092 1.00 0.83 H new ATOM 0 HB3 CYS A 18 -6.193 -3.471 7.396 1.00 0.83 H new ATOM 0 HG CYS A 18 -8.097 -5.119 9.546 1.00 1.18 H new ATOM 252 N VAL A 19 -8.526 -2.181 5.244 1.00 0.69 N ATOM 253 CA VAL A 19 -8.515 -1.761 3.853 1.00 0.87 C ATOM 254 C VAL A 19 -8.666 -0.233 3.711 1.00 0.88 C ATOM 255 O VAL A 19 -7.723 0.444 3.291 1.00 1.01 O ATOM 256 CB VAL A 19 -9.539 -2.607 3.068 1.00 0.90 C ATOM 257 CG1 VAL A 19 -10.077 -1.913 1.816 1.00 1.09 C ATOM 258 CG2 VAL A 19 -8.933 -3.970 2.719 1.00 1.20 C ATOM 0 H VAL A 19 -9.202 -2.918 5.444 1.00 0.69 H new ATOM 0 HA VAL A 19 -7.542 -1.955 3.402 1.00 0.87 H new ATOM 0 HB VAL A 19 -10.400 -2.744 3.722 1.00 0.90 H new ATOM 0 HG11 VAL A 19 -10.791 -2.567 1.316 1.00 1.09 H new ATOM 0 HG12 VAL A 19 -10.572 -0.984 2.099 1.00 1.09 H new ATOM 0 HG13 VAL A 19 -9.252 -1.692 1.139 1.00 1.09 H new ATOM 0 HG21 VAL A 19 -9.662 -4.561 2.165 1.00 1.20 H new ATOM 0 HG22 VAL A 19 -8.042 -3.826 2.107 1.00 1.20 H new ATOM 0 HG23 VAL A 19 -8.663 -4.494 3.636 1.00 1.20 H new ATOM 268 N HIS A 20 -9.822 0.336 4.075 1.00 0.82 N ATOM 269 CA HIS A 20 -10.056 1.761 3.866 1.00 0.98 C ATOM 270 C HIS A 20 -9.153 2.594 4.771 1.00 0.93 C ATOM 271 O HIS A 20 -8.801 3.711 4.410 1.00 1.03 O ATOM 272 CB HIS A 20 -11.537 2.167 3.964 1.00 1.14 C ATOM 273 CG HIS A 20 -12.043 2.471 5.353 1.00 1.18 C ATOM 274 ND1 HIS A 20 -12.534 3.670 5.822 1.00 1.96 N ATOM 275 CD2 HIS A 20 -12.160 1.570 6.366 1.00 0.89 C ATOM 276 CE1 HIS A 20 -12.926 3.470 7.096 1.00 1.76 C ATOM 277 NE2 HIS A 20 -12.713 2.204 7.475 1.00 1.15 N ATOM 0 H HIS A 20 -10.597 -0.165 4.510 1.00 0.82 H new ATOM 0 HA HIS A 20 -9.784 1.977 2.833 1.00 0.98 H new ATOM 0 HB2 HIS A 20 -11.696 3.046 3.339 1.00 1.14 H new ATOM 0 HB3 HIS A 20 -12.143 1.364 3.544 1.00 1.14 H new ATOM 0 HD2 HIS A 20 -11.871 0.531 6.317 1.00 0.89 H new ATOM 0 HE1 HIS A 20 -13.356 4.232 7.729 1.00 1.76 H new ATOM 0 HE2 HIS A 20 -12.914 1.791 8.386 1.00 1.15 H new ATOM 285 N LYS A 21 -8.760 2.073 5.938 1.00 0.83 N ATOM 286 CA LYS A 21 -7.776 2.723 6.788 1.00 0.75 C ATOM 287 C LYS A 21 -6.473 2.925 6.011 1.00 0.69 C ATOM 288 O LYS A 21 -5.967 4.048 5.951 1.00 0.70 O ATOM 289 CB LYS A 21 -7.584 1.906 8.075 1.00 0.70 C ATOM 290 CG LYS A 21 -6.460 2.402 8.995 1.00 0.65 C ATOM 291 CD LYS A 21 -6.650 3.858 9.441 1.00 1.87 C ATOM 292 CE LYS A 21 -5.535 4.252 10.421 1.00 2.49 C ATOM 293 NZ LYS A 21 -5.675 5.638 10.912 1.00 4.02 N ATOM 0 H LYS A 21 -9.117 1.194 6.312 1.00 0.83 H new ATOM 0 HA LYS A 21 -8.126 3.712 7.085 1.00 0.75 H new ATOM 0 HB2 LYS A 21 -8.520 1.911 8.634 1.00 0.70 H new ATOM 0 HB3 LYS A 21 -7.381 0.870 7.803 1.00 0.70 H new ATOM 0 HG2 LYS A 21 -6.409 1.762 9.876 1.00 0.65 H new ATOM 0 HG3 LYS A 21 -5.506 2.308 8.477 1.00 0.65 H new ATOM 0 HD2 LYS A 21 -6.635 4.518 8.574 1.00 1.87 H new ATOM 0 HD3 LYS A 21 -7.624 3.978 9.916 1.00 1.87 H new ATOM 0 HE2 LYS A 21 -5.543 3.567 11.269 1.00 2.49 H new ATOM 0 HE3 LYS A 21 -4.568 4.140 9.930 1.00 2.49 H new ATOM 0 HZ1 LYS A 21 -4.898 5.854 11.569 1.00 4.02 H new ATOM 0 HZ2 LYS A 21 -5.641 6.296 10.108 1.00 4.02 H new ATOM 0 HZ3 LYS A 21 -6.585 5.741 11.405 1.00 4.02 H new ATOM 307 N ILE A 22 -5.933 1.856 5.412 1.00 0.66 N ATOM 308 CA ILE A 22 -4.749 1.952 4.567 1.00 0.62 C ATOM 309 C ILE A 22 -5.004 2.993 3.480 1.00 0.69 C ATOM 310 O ILE A 22 -4.301 4.000 3.420 1.00 0.68 O ATOM 311 CB ILE A 22 -4.350 0.578 3.983 1.00 0.57 C ATOM 312 CG1 ILE A 22 -3.818 -0.338 5.095 1.00 0.51 C ATOM 313 CG2 ILE A 22 -3.265 0.745 2.909 1.00 0.61 C ATOM 314 CD1 ILE A 22 -3.740 -1.806 4.671 1.00 0.52 C ATOM 0 H ILE A 22 -6.305 0.911 5.502 1.00 0.66 H new ATOM 0 HA ILE A 22 -3.899 2.274 5.169 1.00 0.62 H new ATOM 0 HB ILE A 22 -5.236 0.130 3.534 1.00 0.57 H new ATOM 0 HG12 ILE A 22 -2.827 0.001 5.395 1.00 0.51 H new ATOM 0 HG13 ILE A 22 -4.463 -0.251 5.970 1.00 0.51 H new ATOM 0 HG21 ILE A 22 -2.996 -0.232 2.509 1.00 0.61 H new ATOM 0 HG22 ILE A 22 -3.644 1.375 2.104 1.00 0.61 H new ATOM 0 HG23 ILE A 22 -2.384 1.211 3.351 1.00 0.61 H new ATOM 0 HD11 ILE A 22 -3.357 -2.404 5.498 1.00 0.52 H new ATOM 0 HD12 ILE A 22 -4.734 -2.159 4.398 1.00 0.52 H new ATOM 0 HD13 ILE A 22 -3.073 -1.902 3.814 1.00 0.52 H new ATOM 326 N GLU A 23 -6.007 2.770 2.631 1.00 0.78 N ATOM 327 CA GLU A 23 -6.248 3.618 1.470 1.00 0.82 C ATOM 328 C GLU A 23 -6.387 5.086 1.880 1.00 0.83 C ATOM 329 O GLU A 23 -5.646 5.943 1.399 1.00 0.82 O ATOM 330 CB GLU A 23 -7.468 3.093 0.708 1.00 0.98 C ATOM 331 CG GLU A 23 -7.080 1.760 0.058 1.00 1.10 C ATOM 332 CD GLU A 23 -8.250 0.962 -0.506 1.00 1.69 C ATOM 333 OE1 GLU A 23 -9.403 1.334 -0.199 1.00 2.30 O ATOM 334 OE2 GLU A 23 -7.957 -0.035 -1.205 1.00 2.81 O ATOM 0 H GLU A 23 -6.670 2.001 2.730 1.00 0.78 H new ATOM 0 HA GLU A 23 -5.391 3.577 0.798 1.00 0.82 H new ATOM 0 HB2 GLU A 23 -8.311 2.956 1.385 1.00 0.98 H new ATOM 0 HB3 GLU A 23 -7.782 3.810 -0.050 1.00 0.98 H new ATOM 0 HG2 GLU A 23 -6.371 1.956 -0.746 1.00 1.10 H new ATOM 0 HG3 GLU A 23 -6.563 1.148 0.797 1.00 1.10 H new ATOM 341 N SER A 24 -7.307 5.365 2.803 1.00 0.88 N ATOM 342 CA SER A 24 -7.550 6.693 3.343 1.00 0.95 C ATOM 343 C SER A 24 -6.265 7.313 3.893 1.00 0.90 C ATOM 344 O SER A 24 -6.083 8.519 3.774 1.00 1.14 O ATOM 345 CB SER A 24 -8.653 6.627 4.411 1.00 1.03 C ATOM 346 OG SER A 24 -9.011 7.918 4.868 1.00 1.36 O ATOM 0 H SER A 24 -7.917 4.652 3.203 1.00 0.88 H new ATOM 0 HA SER A 24 -7.892 7.343 2.537 1.00 0.95 H new ATOM 0 HB2 SER A 24 -9.531 6.130 3.999 1.00 1.03 H new ATOM 0 HB3 SER A 24 -8.311 6.024 5.252 1.00 1.03 H new ATOM 0 HG SER A 24 -9.715 7.842 5.545 1.00 1.36 H new ATOM 352 N SER A 25 -5.359 6.520 4.476 1.00 0.68 N ATOM 353 CA SER A 25 -4.058 7.033 4.883 1.00 0.62 C ATOM 354 C SER A 25 -3.215 7.362 3.643 1.00 0.49 C ATOM 355 O SER A 25 -2.897 8.522 3.387 1.00 0.62 O ATOM 356 CB SER A 25 -3.375 6.035 5.831 1.00 0.65 C ATOM 357 OG SER A 25 -2.293 6.635 6.517 1.00 1.07 O ATOM 0 H SER A 25 -5.506 5.530 4.673 1.00 0.68 H new ATOM 0 HA SER A 25 -4.177 7.963 5.439 1.00 0.62 H new ATOM 0 HB2 SER A 25 -4.101 5.659 6.551 1.00 0.65 H new ATOM 0 HB3 SER A 25 -3.017 5.177 5.262 1.00 0.65 H new ATOM 0 HG SER A 25 -1.693 5.938 6.855 1.00 1.07 H new ATOM 363 N LEU A 26 -2.847 6.342 2.865 1.00 0.45 N ATOM 364 CA LEU A 26 -1.883 6.447 1.774 1.00 0.40 C ATOM 365 C LEU A 26 -2.256 7.546 0.782 1.00 0.45 C ATOM 366 O LEU A 26 -1.411 8.333 0.360 1.00 0.54 O ATOM 367 CB LEU A 26 -1.784 5.106 1.046 1.00 0.48 C ATOM 368 CG LEU A 26 -0.795 4.122 1.682 1.00 0.52 C ATOM 369 CD1 LEU A 26 -0.932 3.937 3.198 1.00 2.16 C ATOM 370 CD2 LEU A 26 -0.997 2.783 0.975 1.00 2.32 C ATOM 0 H LEU A 26 -3.221 5.400 2.981 1.00 0.45 H new ATOM 0 HA LEU A 26 -0.919 6.710 2.208 1.00 0.40 H new ATOM 0 HB2 LEU A 26 -2.772 4.646 1.018 1.00 0.48 H new ATOM 0 HB3 LEU A 26 -1.487 5.286 0.013 1.00 0.48 H new ATOM 0 HG LEU A 26 0.206 4.533 1.554 1.00 0.52 H new ATOM 0 HD11 LEU A 26 -0.187 3.222 3.546 1.00 2.16 H new ATOM 0 HD12 LEU A 26 -0.777 4.894 3.697 1.00 2.16 H new ATOM 0 HD13 LEU A 26 -1.929 3.564 3.430 1.00 2.16 H new ATOM 0 HD21 LEU A 26 -0.313 2.044 1.393 1.00 2.32 H new ATOM 0 HD22 LEU A 26 -2.024 2.448 1.117 1.00 2.32 H new ATOM 0 HD23 LEU A 26 -0.798 2.900 -0.090 1.00 2.32 H new ATOM 382 N THR A 27 -3.531 7.611 0.402 1.00 0.48 N ATOM 383 CA THR A 27 -3.999 8.596 -0.564 1.00 0.57 C ATOM 384 C THR A 27 -3.637 10.034 -0.147 1.00 0.76 C ATOM 385 O THR A 27 -3.477 10.901 -1.006 1.00 1.43 O ATOM 386 CB THR A 27 -5.503 8.399 -0.801 1.00 0.67 C ATOM 387 OG1 THR A 27 -6.215 8.437 0.417 1.00 2.31 O ATOM 388 CG2 THR A 27 -5.779 7.087 -1.541 1.00 1.94 C ATOM 0 H THR A 27 -4.259 6.989 0.752 1.00 0.48 H new ATOM 0 HA THR A 27 -3.484 8.439 -1.512 1.00 0.57 H new ATOM 0 HB THR A 27 -5.849 9.221 -1.427 1.00 0.67 H new ATOM 0 HG1 THR A 27 -6.180 7.555 0.844 1.00 2.31 H new ATOM 0 HG21 THR A 27 -6.852 6.975 -1.695 1.00 1.94 H new ATOM 0 HG22 THR A 27 -5.274 7.101 -2.507 1.00 1.94 H new ATOM 0 HG23 THR A 27 -5.408 6.250 -0.949 1.00 1.94 H new ATOM 396 N LYS A 28 -3.455 10.291 1.154 1.00 0.66 N ATOM 397 CA LYS A 28 -3.138 11.615 1.679 1.00 0.64 C ATOM 398 C LYS A 28 -1.721 12.051 1.297 1.00 0.63 C ATOM 399 O LYS A 28 -1.430 13.245 1.330 1.00 0.84 O ATOM 400 CB LYS A 28 -3.299 11.637 3.207 1.00 0.70 C ATOM 401 CG LYS A 28 -4.646 11.069 3.676 1.00 1.57 C ATOM 402 CD LYS A 28 -5.650 12.135 4.122 1.00 2.78 C ATOM 403 CE LYS A 28 -6.967 11.424 4.476 1.00 4.14 C ATOM 404 NZ LYS A 28 -8.019 12.361 4.913 1.00 5.19 N ATOM 0 H LYS A 28 -3.526 9.574 1.876 1.00 0.66 H new ATOM 0 HA LYS A 28 -3.838 12.321 1.232 1.00 0.64 H new ATOM 0 HB2 LYS A 28 -2.491 11.063 3.660 1.00 0.70 H new ATOM 0 HB3 LYS A 28 -3.200 12.663 3.563 1.00 0.70 H new ATOM 0 HG2 LYS A 28 -5.085 10.487 2.866 1.00 1.57 H new ATOM 0 HG3 LYS A 28 -4.470 10.381 4.503 1.00 1.57 H new ATOM 0 HD2 LYS A 28 -5.268 12.682 4.984 1.00 2.78 H new ATOM 0 HD3 LYS A 28 -5.811 12.864 3.328 1.00 2.78 H new ATOM 0 HE2 LYS A 28 -7.320 10.867 3.608 1.00 4.14 H new ATOM 0 HE3 LYS A 28 -6.782 10.697 5.267 1.00 4.14 H new ATOM 0 HZ1 LYS A 28 -8.884 11.830 5.139 1.00 5.19 H new ATOM 0 HZ2 LYS A 28 -7.697 12.875 5.758 1.00 5.19 H new ATOM 0 HZ3 LYS A 28 -8.218 13.039 4.150 1.00 5.19 H new ATOM 418 N HIS A 29 -0.836 11.110 0.942 1.00 0.51 N ATOM 419 CA HIS A 29 0.519 11.443 0.517 1.00 0.61 C ATOM 420 C HIS A 29 0.447 12.251 -0.783 1.00 0.80 C ATOM 421 O HIS A 29 1.242 13.158 -1.008 1.00 2.28 O ATOM 422 CB HIS A 29 1.363 10.175 0.303 1.00 0.63 C ATOM 423 CG HIS A 29 1.624 9.305 1.516 1.00 0.57 C ATOM 424 ND1 HIS A 29 2.777 8.592 1.757 1.00 1.48 N ATOM 425 CD2 HIS A 29 0.695 8.850 2.414 1.00 0.84 C ATOM 426 CE1 HIS A 29 2.533 7.728 2.753 1.00 1.21 C ATOM 427 NE2 HIS A 29 1.271 7.844 3.188 1.00 0.65 N ATOM 0 H HIS A 29 -1.041 10.111 0.943 1.00 0.51 H new ATOM 0 HA HIS A 29 0.999 12.033 1.298 1.00 0.61 H new ATOM 0 HB2 HIS A 29 0.869 9.563 -0.452 1.00 0.63 H new ATOM 0 HB3 HIS A 29 2.326 10.476 -0.111 1.00 0.63 H new ATOM 0 HD1 HIS A 29 3.663 8.702 1.264 1.00 1.48 H new ATOM 0 HD2 HIS A 29 -0.318 9.212 2.507 1.00 0.84 H new ATOM 0 HE1 HIS A 29 3.257 7.032 3.151 1.00 1.21 H new ATOM 435 N ARG A 30 -0.489 11.874 -1.663 1.00 1.21 N ATOM 436 CA ARG A 30 -0.794 12.493 -2.948 1.00 1.25 C ATOM 437 C ARG A 30 0.297 12.274 -3.993 1.00 1.08 C ATOM 438 O ARG A 30 0.083 12.605 -5.156 1.00 1.63 O ATOM 439 CB ARG A 30 -1.147 13.982 -2.809 1.00 1.62 C ATOM 440 CG ARG A 30 -2.414 14.193 -1.971 1.00 2.77 C ATOM 441 CD ARG A 30 -2.700 15.687 -1.786 1.00 3.17 C ATOM 442 NE ARG A 30 -2.947 16.348 -3.079 1.00 3.65 N ATOM 443 CZ ARG A 30 -2.992 17.675 -3.274 1.00 4.27 C ATOM 444 NH1 ARG A 30 -2.854 18.506 -2.235 1.00 4.34 N ATOM 445 NH2 ARG A 30 -3.177 18.163 -4.506 1.00 5.48 N ATOM 0 H ARG A 30 -1.092 11.072 -1.478 1.00 1.21 H new ATOM 0 HA ARG A 30 -1.683 11.979 -3.315 1.00 1.25 H new ATOM 0 HB2 ARG A 30 -0.314 14.511 -2.347 1.00 1.62 H new ATOM 0 HB3 ARG A 30 -1.290 14.415 -3.799 1.00 1.62 H new ATOM 0 HG2 ARG A 30 -3.262 13.713 -2.459 1.00 2.77 H new ATOM 0 HG3 ARG A 30 -2.295 13.717 -0.997 1.00 2.77 H new ATOM 0 HD2 ARG A 30 -3.567 15.816 -1.138 1.00 3.17 H new ATOM 0 HD3 ARG A 30 -1.855 16.162 -1.287 1.00 3.17 H new ATOM 0 HE ARG A 30 -3.096 15.749 -3.891 1.00 3.65 H new ATOM 0 HH11 ARG A 30 -2.715 18.131 -1.297 1.00 4.34 H new ATOM 0 HH12 ARG A 30 -2.888 19.515 -2.381 1.00 4.34 H new ATOM 0 HH21 ARG A 30 -3.284 17.527 -5.296 1.00 5.48 H new ATOM 0 HH22 ARG A 30 -3.211 19.171 -4.655 1.00 5.48 H new ATOM 459 N GLY A 31 1.404 11.610 -3.644 1.00 0.62 N ATOM 460 CA GLY A 31 2.370 11.135 -4.620 1.00 0.75 C ATOM 461 C GLY A 31 2.009 9.722 -5.079 1.00 0.63 C ATOM 462 O GLY A 31 2.875 8.872 -5.263 1.00 0.84 O ATOM 0 H GLY A 31 1.648 11.391 -2.678 1.00 0.62 H new ATOM 0 HA2 GLY A 31 2.393 11.808 -5.477 1.00 0.75 H new ATOM 0 HA3 GLY A 31 3.369 11.139 -4.185 1.00 0.75 H new ATOM 466 N ILE A 32 0.707 9.471 -5.224 1.00 1.21 N ATOM 467 CA ILE A 32 0.103 8.183 -5.503 1.00 1.09 C ATOM 468 C ILE A 32 -1.024 8.466 -6.489 1.00 1.08 C ATOM 469 O ILE A 32 -1.722 9.466 -6.329 1.00 1.27 O ATOM 470 CB ILE A 32 -0.441 7.571 -4.199 1.00 1.12 C ATOM 471 CG1 ILE A 32 0.702 7.348 -3.200 1.00 1.76 C ATOM 472 CG2 ILE A 32 -1.191 6.258 -4.469 1.00 2.16 C ATOM 473 CD1 ILE A 32 0.252 6.565 -1.970 1.00 2.13 C ATOM 0 H ILE A 32 0.010 10.212 -5.143 1.00 1.21 H new ATOM 0 HA ILE A 32 0.816 7.470 -5.917 1.00 1.09 H new ATOM 0 HB ILE A 32 -1.152 8.274 -3.766 1.00 1.12 H new ATOM 0 HG12 ILE A 32 1.513 6.811 -3.693 1.00 1.76 H new ATOM 0 HG13 ILE A 32 1.102 8.313 -2.888 1.00 1.76 H new ATOM 0 HG21 ILE A 32 -1.563 5.851 -3.528 1.00 2.16 H new ATOM 0 HG22 ILE A 32 -2.030 6.449 -5.138 1.00 2.16 H new ATOM 0 HG23 ILE A 32 -0.514 5.541 -4.932 1.00 2.16 H new ATOM 0 HD11 ILE A 32 1.096 6.433 -1.294 1.00 2.13 H new ATOM 0 HD12 ILE A 32 -0.540 7.113 -1.459 1.00 2.13 H new ATOM 0 HD13 ILE A 32 -0.123 5.589 -2.277 1.00 2.13 H new ATOM 485 N LEU A 33 -1.191 7.607 -7.495 1.00 0.97 N ATOM 486 CA LEU A 33 -2.271 7.720 -8.462 1.00 1.00 C ATOM 487 C LEU A 33 -3.439 6.835 -8.057 1.00 0.85 C ATOM 488 O LEU A 33 -4.587 7.246 -8.216 1.00 0.86 O ATOM 489 CB LEU A 33 -1.794 7.373 -9.883 1.00 1.20 C ATOM 490 CG LEU A 33 -0.814 8.359 -10.547 1.00 1.62 C ATOM 491 CD1 LEU A 33 -1.267 9.818 -10.422 1.00 2.75 C ATOM 492 CD2 LEU A 33 0.627 8.210 -10.051 1.00 1.93 C ATOM 0 H LEU A 33 -0.575 6.811 -7.658 1.00 0.97 H new ATOM 0 HA LEU A 33 -2.604 8.758 -8.471 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -1.320 6.392 -9.852 1.00 1.20 H new ATOM 0 HB3 LEU A 33 -2.671 7.283 -10.523 1.00 1.20 H new ATOM 0 HG LEU A 33 -0.826 8.088 -11.603 1.00 1.62 H new ATOM 0 HD11 LEU A 33 -0.539 10.468 -10.907 1.00 2.75 H new ATOM 0 HD12 LEU A 33 -2.238 9.940 -10.901 1.00 2.75 H new ATOM 0 HD13 LEU A 33 -1.346 10.085 -9.368 1.00 2.75 H new ATOM 0 HD21 LEU A 33 1.264 8.934 -10.559 1.00 1.93 H new ATOM 0 HD22 LEU A 33 0.662 8.388 -8.976 1.00 1.93 H new ATOM 0 HD23 LEU A 33 0.983 7.202 -10.264 1.00 1.93 H new ATOM 504 N TYR A 34 -3.175 5.624 -7.560 1.00 0.77 N ATOM 505 CA TYR A 34 -4.256 4.721 -7.212 1.00 0.74 C ATOM 506 C TYR A 34 -3.820 3.716 -6.147 1.00 0.70 C ATOM 507 O TYR A 34 -2.628 3.552 -5.893 1.00 0.68 O ATOM 508 CB TYR A 34 -4.770 4.044 -8.492 1.00 0.96 C ATOM 509 CG TYR A 34 -6.088 3.343 -8.319 1.00 0.95 C ATOM 510 CD1 TYR A 34 -7.206 4.072 -7.879 1.00 2.36 C ATOM 511 CD2 TYR A 34 -6.140 1.942 -8.382 1.00 1.81 C ATOM 512 CE1 TYR A 34 -8.314 3.396 -7.353 1.00 2.42 C ATOM 513 CE2 TYR A 34 -7.274 1.270 -7.912 1.00 1.92 C ATOM 514 CZ TYR A 34 -8.332 1.990 -7.330 1.00 1.28 C ATOM 515 OH TYR A 34 -9.336 1.327 -6.696 1.00 1.68 O ATOM 0 H TYR A 34 -2.237 5.258 -7.395 1.00 0.77 H new ATOM 0 HA TYR A 34 -5.078 5.283 -6.768 1.00 0.74 H new ATOM 0 HB2 TYR A 34 -4.869 4.796 -9.275 1.00 0.96 H new ATOM 0 HB3 TYR A 34 -4.028 3.323 -8.834 1.00 0.96 H new ATOM 0 HD1 TYR A 34 -7.211 5.150 -7.946 1.00 2.36 H new ATOM 0 HD2 TYR A 34 -5.310 1.386 -8.791 1.00 1.81 H new ATOM 0 HE1 TYR A 34 -9.154 3.954 -6.965 1.00 2.42 H new ATOM 0 HE2 TYR A 34 -7.337 0.195 -7.997 1.00 1.92 H new ATOM 0 HH TYR A 34 -9.016 0.447 -6.407 1.00 1.68 H new ATOM 525 N CYS A 35 -4.810 3.070 -5.528 1.00 0.79 N ATOM 526 CA CYS A 35 -4.705 2.121 -4.431 1.00 0.85 C ATOM 527 C CYS A 35 -5.926 1.205 -4.525 1.00 0.99 C ATOM 528 O CYS A 35 -7.054 1.681 -4.604 1.00 1.60 O ATOM 529 CB CYS A 35 -4.622 2.851 -3.084 1.00 0.86 C ATOM 530 SG CYS A 35 -6.076 3.886 -2.781 1.00 3.26 S ATOM 0 H CYS A 35 -5.781 3.212 -5.807 1.00 0.79 H new ATOM 0 HA CYS A 35 -3.792 1.529 -4.500 1.00 0.85 H new ATOM 0 HB2 CYS A 35 -4.524 2.120 -2.281 1.00 0.86 H new ATOM 0 HB3 CYS A 35 -3.725 3.471 -3.062 1.00 0.86 H new ATOM 0 HG CYS A 35 -7.097 3.397 -3.420 1.00 3.26 H new ATOM 536 N SER A 36 -5.688 -0.105 -4.584 1.00 0.71 N ATOM 537 CA SER A 36 -6.680 -1.125 -4.289 1.00 0.73 C ATOM 538 C SER A 36 -6.008 -2.114 -3.348 1.00 0.52 C ATOM 539 O SER A 36 -5.145 -2.888 -3.775 1.00 0.51 O ATOM 540 CB SER A 36 -7.163 -1.846 -5.555 1.00 1.03 C ATOM 541 OG SER A 36 -8.225 -1.140 -6.170 1.00 1.57 O ATOM 0 H SER A 36 -4.780 -0.489 -4.844 1.00 0.71 H new ATOM 0 HA SER A 36 -7.564 -0.669 -3.842 1.00 0.73 H new ATOM 0 HB2 SER A 36 -6.336 -1.948 -6.257 1.00 1.03 H new ATOM 0 HB3 SER A 36 -7.491 -2.854 -5.300 1.00 1.03 H new ATOM 0 HG SER A 36 -8.513 -1.619 -6.975 1.00 1.57 H new ATOM 547 N VAL A 37 -6.390 -2.079 -2.073 1.00 0.46 N ATOM 548 CA VAL A 37 -5.923 -3.024 -1.080 1.00 0.42 C ATOM 549 C VAL A 37 -6.866 -4.221 -1.109 1.00 0.45 C ATOM 550 O VAL A 37 -7.813 -4.340 -0.333 1.00 0.65 O ATOM 551 CB VAL A 37 -5.743 -2.320 0.276 1.00 0.52 C ATOM 552 CG1 VAL A 37 -4.950 -3.223 1.217 1.00 1.57 C ATOM 553 CG2 VAL A 37 -4.919 -1.035 0.114 1.00 2.05 C ATOM 0 H VAL A 37 -7.039 -1.384 -1.704 1.00 0.46 H new ATOM 0 HA VAL A 37 -4.928 -3.416 -1.293 1.00 0.42 H new ATOM 0 HB VAL A 37 -6.735 -2.096 0.667 1.00 0.52 H new ATOM 0 HG11 VAL A 37 -4.822 -2.725 2.178 1.00 1.57 H new ATOM 0 HG12 VAL A 37 -5.489 -4.159 1.363 1.00 1.57 H new ATOM 0 HG13 VAL A 37 -3.972 -3.431 0.783 1.00 1.57 H new ATOM 0 HG21 VAL A 37 -4.803 -0.552 1.084 1.00 2.05 H new ATOM 0 HG22 VAL A 37 -3.936 -1.281 -0.288 1.00 2.05 H new ATOM 0 HG23 VAL A 37 -5.432 -0.358 -0.569 1.00 2.05 H new ATOM 563 N ALA A 38 -6.622 -5.114 -2.071 1.00 0.52 N ATOM 564 CA ALA A 38 -7.510 -6.207 -2.364 1.00 0.64 C ATOM 565 C ALA A 38 -7.264 -7.308 -1.342 1.00 0.61 C ATOM 566 O ALA A 38 -6.469 -8.218 -1.574 1.00 0.64 O ATOM 567 CB ALA A 38 -7.292 -6.662 -3.804 1.00 0.78 C ATOM 0 H ALA A 38 -5.793 -5.086 -2.664 1.00 0.52 H new ATOM 0 HA ALA A 38 -8.556 -5.910 -2.286 1.00 0.64 H new ATOM 0 HB1 ALA A 38 -7.964 -7.490 -4.029 1.00 0.78 H new ATOM 0 HB2 ALA A 38 -7.497 -5.834 -4.482 1.00 0.78 H new ATOM 0 HB3 ALA A 38 -6.259 -6.987 -3.930 1.00 0.78 H new ATOM 573 N LEU A 39 -8.002 -7.224 -0.232 1.00 0.62 N ATOM 574 CA LEU A 39 -8.202 -8.276 0.763 1.00 0.70 C ATOM 575 C LEU A 39 -8.228 -9.663 0.101 1.00 0.74 C ATOM 576 O LEU A 39 -7.602 -10.604 0.580 1.00 0.78 O ATOM 577 CB LEU A 39 -9.535 -8.005 1.485 1.00 0.89 C ATOM 578 CG LEU A 39 -9.645 -8.536 2.926 1.00 0.97 C ATOM 579 CD1 LEU A 39 -11.116 -8.441 3.351 1.00 1.86 C ATOM 580 CD2 LEU A 39 -9.159 -9.975 3.124 1.00 1.51 C ATOM 0 H LEU A 39 -8.504 -6.369 0.008 1.00 0.62 H new ATOM 0 HA LEU A 39 -7.376 -8.269 1.475 1.00 0.70 H new ATOM 0 HB2 LEU A 39 -9.703 -6.928 1.502 1.00 0.89 H new ATOM 0 HB3 LEU A 39 -10.340 -8.444 0.895 1.00 0.89 H new ATOM 0 HG LEU A 39 -8.986 -7.920 3.538 1.00 0.97 H new ATOM 0 HD11 LEU A 39 -11.225 -8.811 4.370 1.00 1.86 H new ATOM 0 HD12 LEU A 39 -11.441 -7.402 3.306 1.00 1.86 H new ATOM 0 HD13 LEU A 39 -11.728 -9.043 2.679 1.00 1.86 H new ATOM 0 HD21 LEU A 39 -9.276 -10.258 4.170 1.00 1.51 H new ATOM 0 HD22 LEU A 39 -9.746 -10.647 2.498 1.00 1.51 H new ATOM 0 HD23 LEU A 39 -8.108 -10.046 2.845 1.00 1.51 H new ATOM 592 N ALA A 40 -8.923 -9.771 -1.037 1.00 0.81 N ATOM 593 CA ALA A 40 -9.122 -11.016 -1.773 1.00 0.95 C ATOM 594 C ALA A 40 -7.801 -11.714 -2.106 1.00 0.96 C ATOM 595 O ALA A 40 -7.730 -12.938 -2.130 1.00 1.08 O ATOM 596 CB ALA A 40 -9.891 -10.717 -3.062 1.00 1.05 C ATOM 0 H ALA A 40 -9.373 -8.970 -1.480 1.00 0.81 H new ATOM 0 HA ALA A 40 -9.691 -11.694 -1.137 1.00 0.95 H new ATOM 0 HB1 ALA A 40 -10.044 -11.642 -3.618 1.00 1.05 H new ATOM 0 HB2 ALA A 40 -10.858 -10.278 -2.815 1.00 1.05 H new ATOM 0 HB3 ALA A 40 -9.320 -10.017 -3.672 1.00 1.05 H new ATOM 602 N THR A 41 -6.765 -10.921 -2.382 1.00 0.87 N ATOM 603 CA THR A 41 -5.415 -11.368 -2.697 1.00 0.88 C ATOM 604 C THR A 41 -4.450 -10.871 -1.609 1.00 0.81 C ATOM 605 O THR A 41 -3.244 -10.822 -1.842 1.00 0.89 O ATOM 606 CB THR A 41 -5.069 -10.867 -4.116 1.00 0.91 C ATOM 607 OG1 THR A 41 -3.720 -11.093 -4.474 1.00 1.19 O ATOM 608 CG2 THR A 41 -5.412 -9.398 -4.346 1.00 1.55 C ATOM 0 H THR A 41 -6.852 -9.905 -2.392 1.00 0.87 H new ATOM 0 HA THR A 41 -5.330 -12.455 -2.703 1.00 0.88 H new ATOM 0 HB THR A 41 -5.705 -11.469 -4.765 1.00 0.91 H new ATOM 0 HG1 THR A 41 -3.146 -10.955 -3.692 1.00 1.19 H new ATOM 0 HG21 THR A 41 -5.142 -9.116 -5.364 1.00 1.55 H new ATOM 0 HG22 THR A 41 -6.482 -9.247 -4.200 1.00 1.55 H new ATOM 0 HG23 THR A 41 -4.858 -8.780 -3.639 1.00 1.55 H new ATOM 616 N ASN A 42 -4.998 -10.487 -0.447 1.00 0.75 N ATOM 617 CA ASN A 42 -4.396 -9.704 0.625 1.00 0.81 C ATOM 618 C ASN A 42 -3.173 -8.905 0.180 1.00 0.68 C ATOM 619 O ASN A 42 -2.071 -9.092 0.694 1.00 0.75 O ATOM 620 CB ASN A 42 -4.143 -10.574 1.861 1.00 1.02 C ATOM 621 CG ASN A 42 -4.154 -9.718 3.126 1.00 1.17 C ATOM 622 OD1 ASN A 42 -3.771 -8.553 3.108 1.00 3.06 O ATOM 623 ND2 ASN A 42 -4.684 -10.264 4.217 1.00 1.05 N ATOM 0 H ASN A 42 -5.959 -10.743 -0.220 1.00 0.75 H new ATOM 0 HA ASN A 42 -5.120 -8.942 0.914 1.00 0.81 H new ATOM 0 HB2 ASN A 42 -4.907 -11.348 1.931 1.00 1.02 H new ATOM 0 HB3 ASN A 42 -3.183 -11.082 1.766 1.00 1.02 H new ATOM 0 HD21 ASN A 42 -4.781 -9.711 5.069 1.00 1.05 H new ATOM 0 HD22 ASN A 42 -4.994 -11.236 4.202 1.00 1.05 H new ATOM 630 N LYS A 43 -3.377 -8.016 -0.796 1.00 0.58 N ATOM 631 CA LYS A 43 -2.303 -7.253 -1.410 1.00 0.50 C ATOM 632 C LYS A 43 -2.753 -5.817 -1.629 1.00 0.42 C ATOM 633 O LYS A 43 -3.914 -5.575 -1.959 1.00 0.44 O ATOM 634 CB LYS A 43 -1.819 -7.962 -2.694 1.00 0.51 C ATOM 635 CG LYS A 43 -1.262 -7.062 -3.817 1.00 0.52 C ATOM 636 CD LYS A 43 -2.364 -6.561 -4.765 1.00 0.67 C ATOM 637 CE LYS A 43 -2.784 -7.590 -5.816 1.00 0.65 C ATOM 638 NZ LYS A 43 -1.731 -7.887 -6.810 1.00 0.97 N ATOM 0 H LYS A 43 -4.299 -7.809 -1.180 1.00 0.58 H new ATOM 0 HA LYS A 43 -1.439 -7.205 -0.748 1.00 0.50 H new ATOM 0 HB2 LYS A 43 -1.045 -8.677 -2.416 1.00 0.51 H new ATOM 0 HB3 LYS A 43 -2.652 -8.536 -3.100 1.00 0.51 H new ATOM 0 HG2 LYS A 43 -0.751 -6.207 -3.374 1.00 0.52 H new ATOM 0 HG3 LYS A 43 -0.519 -7.617 -4.389 1.00 0.52 H new ATOM 0 HD2 LYS A 43 -3.237 -6.279 -4.176 1.00 0.67 H new ATOM 0 HD3 LYS A 43 -2.015 -5.660 -5.270 1.00 0.67 H new ATOM 0 HE2 LYS A 43 -3.068 -8.515 -5.313 1.00 0.65 H new ATOM 0 HE3 LYS A 43 -3.670 -7.225 -6.336 1.00 0.65 H new ATOM 0 HZ1 LYS A 43 -2.129 -8.470 -7.574 1.00 0.97 H new ATOM 0 HZ2 LYS A 43 -1.367 -6.997 -7.207 1.00 0.97 H new ATOM 0 HZ3 LYS A 43 -0.955 -8.403 -6.349 1.00 0.97 H new ATOM 652 N ALA A 44 -1.813 -4.883 -1.477 1.00 0.40 N ATOM 653 CA ALA A 44 -1.978 -3.496 -1.852 1.00 0.37 C ATOM 654 C ALA A 44 -1.404 -3.321 -3.244 1.00 0.38 C ATOM 655 O ALA A 44 -0.186 -3.363 -3.410 1.00 0.42 O ATOM 656 CB ALA A 44 -1.309 -2.583 -0.826 1.00 0.39 C ATOM 0 H ALA A 44 -0.896 -5.085 -1.079 1.00 0.40 H new ATOM 0 HA ALA A 44 -3.032 -3.218 -1.866 1.00 0.37 H new ATOM 0 HB1 ALA A 44 -1.442 -1.543 -1.123 1.00 0.39 H new ATOM 0 HB2 ALA A 44 -1.762 -2.742 0.153 1.00 0.39 H new ATOM 0 HB3 ALA A 44 -0.245 -2.812 -0.775 1.00 0.39 H new ATOM 662 N HIS A 45 -2.282 -3.160 -4.236 1.00 0.44 N ATOM 663 CA HIS A 45 -1.900 -2.653 -5.539 1.00 0.48 C ATOM 664 C HIS A 45 -1.966 -1.139 -5.427 1.00 0.54 C ATOM 665 O HIS A 45 -3.053 -0.567 -5.481 1.00 0.64 O ATOM 666 CB HIS A 45 -2.850 -3.192 -6.617 1.00 0.53 C ATOM 667 CG HIS A 45 -2.391 -2.893 -8.015 1.00 0.57 C ATOM 668 ND1 HIS A 45 -1.956 -3.795 -8.959 1.00 0.65 N ATOM 669 CD2 HIS A 45 -2.335 -1.649 -8.570 1.00 0.74 C ATOM 670 CE1 HIS A 45 -1.670 -3.099 -10.072 1.00 0.75 C ATOM 671 NE2 HIS A 45 -1.883 -1.784 -9.886 1.00 0.83 N ATOM 0 H HIS A 45 -3.274 -3.379 -4.151 1.00 0.44 H new ATOM 0 HA HIS A 45 -0.899 -2.972 -5.831 1.00 0.48 H new ATOM 0 HB2 HIS A 45 -2.950 -4.271 -6.497 1.00 0.53 H new ATOM 0 HB3 HIS A 45 -3.840 -2.762 -6.467 1.00 0.53 H new ATOM 0 HD1 HIS A 45 -1.867 -4.804 -8.837 1.00 0.65 H new ATOM 0 HD2 HIS A 45 -2.594 -0.722 -8.079 1.00 0.74 H new ATOM 0 HE1 HIS A 45 -1.316 -3.537 -10.994 1.00 0.75 H new ATOM 679 N ILE A 46 -0.810 -0.503 -5.257 1.00 0.59 N ATOM 680 CA ILE A 46 -0.654 0.930 -5.407 1.00 0.67 C ATOM 681 C ILE A 46 -0.182 1.175 -6.839 1.00 0.81 C ATOM 682 O ILE A 46 0.561 0.373 -7.407 1.00 1.15 O ATOM 683 CB ILE A 46 0.305 1.486 -4.333 1.00 0.76 C ATOM 684 CG1 ILE A 46 -0.449 1.845 -3.041 1.00 1.31 C ATOM 685 CG2 ILE A 46 1.026 2.761 -4.792 1.00 0.96 C ATOM 686 CD1 ILE A 46 -1.057 0.624 -2.356 1.00 1.95 C ATOM 0 H ILE A 46 0.055 -0.982 -5.007 1.00 0.59 H new ATOM 0 HA ILE A 46 -1.591 1.463 -5.250 1.00 0.67 H new ATOM 0 HB ILE A 46 1.030 0.691 -4.158 1.00 0.76 H new ATOM 0 HG12 ILE A 46 0.235 2.340 -2.352 1.00 1.31 H new ATOM 0 HG13 ILE A 46 -1.240 2.558 -3.273 1.00 1.31 H new ATOM 0 HG21 ILE A 46 1.688 3.110 -3.999 1.00 0.96 H new ATOM 0 HG22 ILE A 46 1.612 2.546 -5.686 1.00 0.96 H new ATOM 0 HG23 ILE A 46 0.291 3.534 -5.017 1.00 0.96 H new ATOM 0 HD11 ILE A 46 -1.577 0.936 -1.450 1.00 1.95 H new ATOM 0 HD12 ILE A 46 -1.763 0.142 -3.032 1.00 1.95 H new ATOM 0 HD13 ILE A 46 -0.266 -0.079 -2.096 1.00 1.95 H new ATOM 698 N LYS A 47 -0.615 2.293 -7.417 1.00 0.70 N ATOM 699 CA LYS A 47 -0.066 2.861 -8.632 1.00 0.83 C ATOM 700 C LYS A 47 0.379 4.268 -8.251 1.00 0.94 C ATOM 701 O LYS A 47 -0.355 4.963 -7.546 1.00 0.86 O ATOM 702 CB LYS A 47 -1.133 2.904 -9.723 1.00 0.94 C ATOM 703 CG LYS A 47 -1.451 1.518 -10.298 1.00 0.89 C ATOM 704 CD LYS A 47 -0.555 1.153 -11.488 1.00 1.18 C ATOM 705 CE LYS A 47 -0.984 1.895 -12.763 1.00 1.72 C ATOM 706 NZ LYS A 47 -0.051 1.658 -13.879 1.00 2.70 N ATOM 0 H LYS A 47 -1.384 2.842 -7.034 1.00 0.70 H new ATOM 0 HA LYS A 47 0.762 2.272 -9.026 1.00 0.83 H new ATOM 0 HB2 LYS A 47 -2.045 3.342 -9.316 1.00 0.94 H new ATOM 0 HB3 LYS A 47 -0.797 3.558 -10.528 1.00 0.94 H new ATOM 0 HG2 LYS A 47 -1.333 0.768 -9.516 1.00 0.89 H new ATOM 0 HG3 LYS A 47 -2.495 1.490 -10.612 1.00 0.89 H new ATOM 0 HD2 LYS A 47 0.481 1.398 -11.254 1.00 1.18 H new ATOM 0 HD3 LYS A 47 -0.597 0.077 -11.660 1.00 1.18 H new ATOM 0 HE2 LYS A 47 -1.984 1.572 -13.052 1.00 1.72 H new ATOM 0 HE3 LYS A 47 -1.041 2.964 -12.559 1.00 1.72 H new ATOM 0 HZ1 LYS A 47 -0.187 2.389 -14.606 1.00 2.70 H new ATOM 0 HZ2 LYS A 47 0.927 1.697 -13.528 1.00 2.70 H new ATOM 0 HZ3 LYS A 47 -0.234 0.721 -14.292 1.00 2.70 H new ATOM 720 N TYR A 48 1.583 4.667 -8.651 1.00 1.28 N ATOM 721 CA TYR A 48 2.288 5.778 -8.029 1.00 1.20 C ATOM 722 C TYR A 48 3.413 6.262 -8.933 1.00 1.23 C ATOM 723 O TYR A 48 3.755 5.583 -9.898 1.00 1.52 O ATOM 724 CB TYR A 48 2.820 5.365 -6.642 1.00 1.21 C ATOM 725 CG TYR A 48 4.024 4.428 -6.581 1.00 1.31 C ATOM 726 CD1 TYR A 48 4.262 3.434 -7.552 1.00 3.01 C ATOM 727 CD2 TYR A 48 4.944 4.578 -5.530 1.00 1.47 C ATOM 728 CE1 TYR A 48 5.489 2.753 -7.586 1.00 3.10 C ATOM 729 CE2 TYR A 48 6.159 3.873 -5.542 1.00 1.54 C ATOM 730 CZ TYR A 48 6.447 2.986 -6.588 1.00 1.54 C ATOM 731 OH TYR A 48 7.639 2.327 -6.613 1.00 1.66 O ATOM 0 H TYR A 48 2.095 4.228 -9.416 1.00 1.28 H new ATOM 0 HA TYR A 48 1.592 6.605 -7.888 1.00 1.20 H new ATOM 0 HB2 TYR A 48 3.078 6.275 -6.100 1.00 1.21 H new ATOM 0 HB3 TYR A 48 2.002 4.892 -6.099 1.00 1.21 H new ATOM 0 HD1 TYR A 48 3.495 3.195 -8.274 1.00 3.01 H new ATOM 0 HD2 TYR A 48 4.716 5.240 -4.707 1.00 1.47 H new ATOM 0 HE1 TYR A 48 5.695 2.050 -8.380 1.00 3.10 H new ATOM 0 HE2 TYR A 48 6.872 4.015 -4.744 1.00 1.54 H new ATOM 0 HH TYR A 48 8.371 2.971 -6.514 1.00 1.66 H new ATOM 741 N ASP A 49 4.002 7.410 -8.601 1.00 1.07 N ATOM 742 CA ASP A 49 5.327 7.770 -9.079 1.00 0.93 C ATOM 743 C ASP A 49 6.310 7.276 -8.014 1.00 1.06 C ATOM 744 O ASP A 49 5.991 7.370 -6.830 1.00 1.60 O ATOM 745 CB ASP A 49 5.422 9.286 -9.257 1.00 1.08 C ATOM 746 CG ASP A 49 6.867 9.709 -9.484 1.00 2.65 C ATOM 747 OD1 ASP A 49 7.627 9.705 -8.488 1.00 4.12 O ATOM 748 OD2 ASP A 49 7.196 9.964 -10.657 1.00 3.31 O ATOM 0 H ASP A 49 3.573 8.110 -7.996 1.00 1.07 H new ATOM 0 HA ASP A 49 5.548 7.321 -10.047 1.00 0.93 H new ATOM 0 HB2 ASP A 49 4.809 9.597 -10.103 1.00 1.08 H new ATOM 0 HB3 ASP A 49 5.025 9.787 -8.374 1.00 1.08 H new ATOM 753 N PRO A 50 7.463 6.707 -8.388 1.00 1.02 N ATOM 754 CA PRO A 50 8.391 6.143 -7.429 1.00 1.40 C ATOM 755 C PRO A 50 9.218 7.201 -6.700 1.00 1.56 C ATOM 756 O PRO A 50 9.561 6.985 -5.541 1.00 2.57 O ATOM 757 CB PRO A 50 9.281 5.200 -8.241 1.00 1.48 C ATOM 758 CG PRO A 50 9.305 5.852 -9.624 1.00 1.11 C ATOM 759 CD PRO A 50 7.900 6.443 -9.748 1.00 1.13 C ATOM 0 HA PRO A 50 7.855 5.626 -6.633 1.00 1.40 H new ATOM 0 HB2 PRO A 50 10.281 5.122 -7.814 1.00 1.48 H new ATOM 0 HB3 PRO A 50 8.871 4.191 -8.278 1.00 1.48 H new ATOM 0 HG2 PRO A 50 10.074 6.621 -9.695 1.00 1.11 H new ATOM 0 HG3 PRO A 50 9.508 5.125 -10.410 1.00 1.11 H new ATOM 0 HD2 PRO A 50 7.911 7.358 -10.340 1.00 1.13 H new ATOM 0 HD3 PRO A 50 7.226 5.748 -10.248 1.00 1.13 H new ATOM 767 N GLU A 51 9.592 8.304 -7.353 1.00 1.19 N ATOM 768 CA GLU A 51 10.646 9.183 -6.868 1.00 1.70 C ATOM 769 C GLU A 51 10.100 10.336 -6.028 1.00 1.53 C ATOM 770 O GLU A 51 10.790 10.796 -5.119 1.00 2.13 O ATOM 771 CB GLU A 51 11.555 9.643 -8.016 1.00 2.21 C ATOM 772 CG GLU A 51 10.840 10.342 -9.177 1.00 1.81 C ATOM 773 CD GLU A 51 11.857 10.798 -10.215 1.00 2.59 C ATOM 774 OE1 GLU A 51 12.422 9.903 -10.882 1.00 3.30 O ATOM 775 OE2 GLU A 51 12.089 12.024 -10.292 1.00 3.41 O ATOM 0 H GLU A 51 9.170 8.608 -8.231 1.00 1.19 H new ATOM 0 HA GLU A 51 11.273 8.606 -6.188 1.00 1.70 H new ATOM 0 HB2 GLU A 51 12.307 10.321 -7.613 1.00 2.21 H new ATOM 0 HB3 GLU A 51 12.086 8.775 -8.407 1.00 2.21 H new ATOM 0 HG2 GLU A 51 10.121 9.662 -9.634 1.00 1.81 H new ATOM 0 HG3 GLU A 51 10.278 11.199 -8.806 1.00 1.81 H new ATOM 782 N ILE A 52 8.863 10.785 -6.269 1.00 1.07 N ATOM 783 CA ILE A 52 8.276 11.828 -5.436 1.00 1.14 C ATOM 784 C ILE A 52 8.001 11.302 -4.029 1.00 1.02 C ATOM 785 O ILE A 52 7.912 12.092 -3.092 1.00 1.31 O ATOM 786 CB ILE A 52 7.026 12.454 -6.082 1.00 1.21 C ATOM 787 CG1 ILE A 52 5.862 11.451 -6.139 1.00 1.76 C ATOM 788 CG2 ILE A 52 7.389 13.046 -7.452 1.00 1.75 C ATOM 789 CD1 ILE A 52 4.625 11.987 -6.864 1.00 2.25 C ATOM 0 H ILE A 52 8.262 10.447 -7.021 1.00 1.07 H new ATOM 0 HA ILE A 52 9.004 12.635 -5.350 1.00 1.14 H new ATOM 0 HB ILE A 52 6.671 13.276 -5.460 1.00 1.21 H new ATOM 0 HG12 ILE A 52 6.200 10.543 -6.638 1.00 1.76 H new ATOM 0 HG13 ILE A 52 5.584 11.172 -5.123 1.00 1.76 H new ATOM 0 HG21 ILE A 52 6.501 13.487 -7.904 1.00 1.75 H new ATOM 0 HG22 ILE A 52 8.152 13.814 -7.326 1.00 1.75 H new ATOM 0 HG23 ILE A 52 7.772 12.257 -8.099 1.00 1.75 H new ATOM 0 HD11 ILE A 52 3.845 11.225 -6.865 1.00 2.25 H new ATOM 0 HD12 ILE A 52 4.261 12.878 -6.353 1.00 2.25 H new ATOM 0 HD13 ILE A 52 4.887 12.240 -7.892 1.00 2.25 H new ATOM 801 N ILE A 53 7.830 9.981 -3.896 1.00 0.79 N ATOM 802 CA ILE A 53 7.336 9.365 -2.674 1.00 0.60 C ATOM 803 C ILE A 53 8.320 8.340 -2.093 1.00 0.92 C ATOM 804 O ILE A 53 8.559 8.335 -0.889 1.00 2.64 O ATOM 805 CB ILE A 53 5.928 8.814 -2.956 1.00 0.76 C ATOM 806 CG1 ILE A 53 5.116 8.695 -1.668 1.00 1.05 C ATOM 807 CG2 ILE A 53 5.960 7.500 -3.738 1.00 1.16 C ATOM 808 CD1 ILE A 53 3.624 8.607 -1.971 1.00 1.71 C ATOM 0 H ILE A 53 8.033 9.313 -4.640 1.00 0.79 H new ATOM 0 HA ILE A 53 7.256 10.107 -1.880 1.00 0.60 H new ATOM 0 HB ILE A 53 5.423 9.536 -3.599 1.00 0.76 H new ATOM 0 HG12 ILE A 53 5.432 7.810 -1.115 1.00 1.05 H new ATOM 0 HG13 ILE A 53 5.311 9.557 -1.029 1.00 1.05 H new ATOM 0 HG21 ILE A 53 4.941 7.154 -3.910 1.00 1.16 H new ATOM 0 HG22 ILE A 53 6.456 7.658 -4.695 1.00 1.16 H new ATOM 0 HG23 ILE A 53 6.506 6.749 -3.166 1.00 1.16 H new ATOM 0 HD11 ILE A 53 3.067 8.523 -1.038 1.00 1.71 H new ATOM 0 HD12 ILE A 53 3.307 9.504 -2.503 1.00 1.71 H new ATOM 0 HD13 ILE A 53 3.429 7.731 -2.590 1.00 1.71 H new ATOM 820 N GLY A 54 8.906 7.477 -2.930 1.00 0.91 N ATOM 821 CA GLY A 54 9.667 6.322 -2.481 1.00 0.66 C ATOM 822 C GLY A 54 8.696 5.211 -2.063 1.00 0.66 C ATOM 823 O GLY A 54 7.911 5.418 -1.144 1.00 0.62 O ATOM 0 H GLY A 54 8.861 7.567 -3.945 1.00 0.91 H new ATOM 0 HA2 GLY A 54 10.320 5.969 -3.279 1.00 0.66 H new ATOM 0 HA3 GLY A 54 10.307 6.597 -1.643 1.00 0.66 H new ATOM 827 N PRO A 55 8.718 4.014 -2.676 1.00 0.96 N ATOM 828 CA PRO A 55 7.776 2.956 -2.320 1.00 1.15 C ATOM 829 C PRO A 55 7.843 2.638 -0.827 1.00 1.19 C ATOM 830 O PRO A 55 6.825 2.406 -0.178 1.00 1.16 O ATOM 831 CB PRO A 55 8.149 1.748 -3.187 1.00 1.51 C ATOM 832 CG PRO A 55 9.594 2.016 -3.607 1.00 1.56 C ATOM 833 CD PRO A 55 9.681 3.543 -3.658 1.00 1.26 C ATOM 0 HA PRO A 55 6.745 3.257 -2.506 1.00 1.15 H new ATOM 0 HB2 PRO A 55 8.064 0.816 -2.628 1.00 1.51 H new ATOM 0 HB3 PRO A 55 7.493 1.662 -4.053 1.00 1.51 H new ATOM 0 HG2 PRO A 55 10.303 1.598 -2.892 1.00 1.56 H new ATOM 0 HG3 PRO A 55 9.819 1.570 -4.576 1.00 1.56 H new ATOM 0 HD2 PRO A 55 10.687 3.888 -3.419 1.00 1.26 H new ATOM 0 HD3 PRO A 55 9.443 3.918 -4.654 1.00 1.26 H new ATOM 841 N ARG A 56 9.054 2.664 -0.271 1.00 1.30 N ATOM 842 CA ARG A 56 9.260 2.411 1.141 1.00 1.45 C ATOM 843 C ARG A 56 8.535 3.393 2.066 1.00 1.11 C ATOM 844 O ARG A 56 8.226 3.014 3.190 1.00 0.98 O ATOM 845 CB ARG A 56 10.745 2.192 1.444 1.00 1.98 C ATOM 846 CG ARG A 56 11.669 3.358 1.070 1.00 2.44 C ATOM 847 CD ARG A 56 13.036 2.832 0.595 1.00 3.71 C ATOM 848 NE ARG A 56 13.046 2.528 -0.849 1.00 5.59 N ATOM 849 CZ ARG A 56 12.941 1.332 -1.463 1.00 7.12 C ATOM 850 NH1 ARG A 56 12.750 0.192 -0.793 1.00 7.34 N ATOM 851 NH2 ARG A 56 13.023 1.279 -2.794 1.00 8.89 N ATOM 0 H ARG A 56 9.910 2.860 -0.789 1.00 1.30 H new ATOM 0 HA ARG A 56 8.765 1.470 1.382 1.00 1.45 H new ATOM 0 HB2 ARG A 56 10.856 1.990 2.509 1.00 1.98 H new ATOM 0 HB3 ARG A 56 11.080 1.300 0.914 1.00 1.98 H new ATOM 0 HG2 ARG A 56 11.209 3.956 0.283 1.00 2.44 H new ATOM 0 HG3 ARG A 56 11.804 4.013 1.931 1.00 2.44 H new ATOM 0 HD2 ARG A 56 13.804 3.573 0.814 1.00 3.71 H new ATOM 0 HD3 ARG A 56 13.292 1.933 1.155 1.00 3.71 H new ATOM 0 HE ARG A 56 13.146 3.333 -1.467 1.00 5.59 H new ATOM 0 HH11 ARG A 56 12.678 0.204 0.224 1.00 7.34 H new ATOM 0 HH12 ARG A 56 12.676 -0.691 -1.299 1.00 7.34 H new ATOM 0 HH21 ARG A 56 13.163 2.135 -3.331 1.00 8.89 H new ATOM 0 HH22 ARG A 56 12.946 0.383 -3.274 1.00 8.89 H new ATOM 865 N ASP A 57 8.193 4.607 1.615 1.00 1.05 N ATOM 866 CA ASP A 57 7.307 5.485 2.378 1.00 0.94 C ATOM 867 C ASP A 57 5.958 4.790 2.589 1.00 0.83 C ATOM 868 O ASP A 57 5.481 4.625 3.715 1.00 0.83 O ATOM 869 CB ASP A 57 7.136 6.812 1.630 1.00 0.94 C ATOM 870 CG ASP A 57 6.087 7.712 2.260 1.00 2.42 C ATOM 871 OD1 ASP A 57 6.002 7.711 3.504 1.00 3.53 O ATOM 872 OD2 ASP A 57 5.366 8.369 1.479 1.00 3.52 O ATOM 0 H ASP A 57 8.516 4.999 0.730 1.00 1.05 H new ATOM 0 HA ASP A 57 7.740 5.696 3.356 1.00 0.94 H new ATOM 0 HB2 ASP A 57 8.091 7.336 1.607 1.00 0.94 H new ATOM 0 HB3 ASP A 57 6.859 6.608 0.596 1.00 0.94 H new ATOM 877 N ILE A 58 5.370 4.312 1.487 1.00 0.79 N ATOM 878 CA ILE A 58 4.153 3.520 1.550 1.00 0.73 C ATOM 879 C ILE A 58 4.367 2.297 2.450 1.00 0.74 C ATOM 880 O ILE A 58 3.546 2.069 3.336 1.00 0.72 O ATOM 881 CB ILE A 58 3.613 3.165 0.146 1.00 0.79 C ATOM 882 CG1 ILE A 58 3.166 4.422 -0.625 1.00 0.77 C ATOM 883 CG2 ILE A 58 2.413 2.224 0.286 1.00 0.80 C ATOM 884 CD1 ILE A 58 4.198 4.853 -1.665 1.00 0.66 C ATOM 0 H ILE A 58 5.724 4.464 0.543 1.00 0.79 H new ATOM 0 HA ILE A 58 3.368 4.123 2.006 1.00 0.73 H new ATOM 0 HB ILE A 58 4.419 2.686 -0.410 1.00 0.79 H new ATOM 0 HG12 ILE A 58 2.214 4.225 -1.119 1.00 0.77 H new ATOM 0 HG13 ILE A 58 2.998 5.238 0.078 1.00 0.77 H new ATOM 0 HG21 ILE A 58 2.031 1.972 -0.703 1.00 0.80 H new ATOM 0 HG22 ILE A 58 2.723 1.313 0.798 1.00 0.80 H new ATOM 0 HG23 ILE A 58 1.630 2.716 0.863 1.00 0.80 H new ATOM 0 HD11 ILE A 58 3.842 5.743 -2.184 1.00 0.66 H new ATOM 0 HD12 ILE A 58 5.143 5.076 -1.169 1.00 0.66 H new ATOM 0 HD13 ILE A 58 4.347 4.048 -2.385 1.00 0.66 H new ATOM 896 N ILE A 59 5.447 1.525 2.260 1.00 0.81 N ATOM 897 CA ILE A 59 5.712 0.357 3.112 1.00 0.84 C ATOM 898 C ILE A 59 5.652 0.756 4.587 1.00 0.84 C ATOM 899 O ILE A 59 4.838 0.204 5.325 1.00 0.81 O ATOM 900 CB ILE A 59 7.062 -0.324 2.813 1.00 0.88 C ATOM 901 CG1 ILE A 59 7.179 -0.752 1.344 1.00 0.89 C ATOM 902 CG2 ILE A 59 7.250 -1.561 3.710 1.00 1.16 C ATOM 903 CD1 ILE A 59 8.589 -1.268 1.046 1.00 1.57 C ATOM 0 H ILE A 59 6.144 1.686 1.533 1.00 0.81 H new ATOM 0 HA ILE A 59 4.933 -0.371 2.885 1.00 0.84 H new ATOM 0 HB ILE A 59 7.840 0.411 3.020 1.00 0.88 H new ATOM 0 HG12 ILE A 59 6.447 -1.530 1.127 1.00 0.89 H new ATOM 0 HG13 ILE A 59 6.949 0.092 0.694 1.00 0.89 H new ATOM 0 HG21 ILE A 59 8.208 -2.030 3.486 1.00 1.16 H new ATOM 0 HG22 ILE A 59 7.230 -1.258 4.757 1.00 1.16 H new ATOM 0 HG23 ILE A 59 6.445 -2.272 3.523 1.00 1.16 H new ATOM 0 HD11 ILE A 59 8.653 -1.567 -0.000 1.00 1.57 H new ATOM 0 HD12 ILE A 59 9.314 -0.479 1.243 1.00 1.57 H new ATOM 0 HD13 ILE A 59 8.804 -2.126 1.683 1.00 1.57 H new ATOM 915 N HIS A 60 6.507 1.703 5.002 1.00 0.92 N ATOM 916 CA HIS A 60 6.581 2.184 6.376 1.00 0.99 C ATOM 917 C HIS A 60 5.184 2.524 6.866 1.00 0.88 C ATOM 918 O HIS A 60 4.756 2.082 7.927 1.00 0.93 O ATOM 919 CB HIS A 60 7.475 3.428 6.480 1.00 1.09 C ATOM 920 CG HIS A 60 8.918 3.212 6.107 1.00 1.86 C ATOM 921 ND1 HIS A 60 9.701 4.096 5.403 1.00 2.69 N ATOM 922 CD2 HIS A 60 9.687 2.120 6.407 1.00 2.32 C ATOM 923 CE1 HIS A 60 10.915 3.536 5.265 1.00 3.59 C ATOM 924 NE2 HIS A 60 10.958 2.333 5.859 1.00 3.36 N ATOM 0 H HIS A 60 7.173 2.158 4.378 1.00 0.92 H new ATOM 0 HA HIS A 60 7.015 1.397 6.993 1.00 0.99 H new ATOM 0 HB2 HIS A 60 7.063 4.207 5.838 1.00 1.09 H new ATOM 0 HB3 HIS A 60 7.433 3.802 7.503 1.00 1.09 H new ATOM 0 HD2 HIS A 60 9.371 1.251 6.965 1.00 2.32 H new ATOM 0 HE1 HIS A 60 11.745 3.993 4.746 1.00 3.59 H new ATOM 0 HE2 HIS A 60 11.757 1.700 5.903 1.00 3.36 H new ATOM 932 N THR A 61 4.456 3.305 6.070 1.00 0.76 N ATOM 933 CA THR A 61 3.119 3.724 6.450 1.00 0.68 C ATOM 934 C THR A 61 2.234 2.501 6.708 1.00 0.55 C ATOM 935 O THR A 61 1.625 2.396 7.771 1.00 0.57 O ATOM 936 CB THR A 61 2.553 4.684 5.399 1.00 0.69 C ATOM 937 OG1 THR A 61 3.452 5.764 5.256 1.00 0.84 O ATOM 938 CG2 THR A 61 1.204 5.254 5.841 1.00 0.73 C ATOM 0 H THR A 61 4.771 3.655 5.165 1.00 0.76 H new ATOM 0 HA THR A 61 3.151 4.278 7.388 1.00 0.68 H new ATOM 0 HB THR A 61 2.420 4.138 4.465 1.00 0.69 H new ATOM 0 HG1 THR A 61 4.208 5.489 4.696 1.00 0.84 H new ATOM 0 HG21 THR A 61 0.827 5.932 5.075 1.00 0.73 H new ATOM 0 HG22 THR A 61 0.495 4.439 5.986 1.00 0.73 H new ATOM 0 HG23 THR A 61 1.328 5.798 6.778 1.00 0.73 H new ATOM 946 N ILE A 62 2.176 1.562 5.760 1.00 0.50 N ATOM 947 CA ILE A 62 1.381 0.350 5.902 1.00 0.46 C ATOM 948 C ILE A 62 1.784 -0.413 7.168 1.00 0.53 C ATOM 949 O ILE A 62 0.924 -0.685 8.005 1.00 0.48 O ATOM 950 CB ILE A 62 1.475 -0.514 4.629 1.00 0.53 C ATOM 951 CG1 ILE A 62 0.782 0.210 3.460 1.00 0.56 C ATOM 952 CG2 ILE A 62 0.825 -1.892 4.820 1.00 0.60 C ATOM 953 CD1 ILE A 62 0.856 -0.596 2.161 1.00 0.88 C ATOM 0 H ILE A 62 2.680 1.625 4.875 1.00 0.50 H new ATOM 0 HA ILE A 62 0.332 0.623 6.019 1.00 0.46 H new ATOM 0 HB ILE A 62 2.533 -0.665 4.413 1.00 0.53 H new ATOM 0 HG12 ILE A 62 -0.262 0.392 3.714 1.00 0.56 H new ATOM 0 HG13 ILE A 62 1.248 1.184 3.309 1.00 0.56 H new ATOM 0 HG21 ILE A 62 0.914 -2.467 3.898 1.00 0.60 H new ATOM 0 HG22 ILE A 62 1.327 -2.422 5.629 1.00 0.60 H new ATOM 0 HG23 ILE A 62 -0.229 -1.766 5.068 1.00 0.60 H new ATOM 0 HD11 ILE A 62 0.355 -0.048 1.363 1.00 0.88 H new ATOM 0 HD12 ILE A 62 1.900 -0.756 1.891 1.00 0.88 H new ATOM 0 HD13 ILE A 62 0.366 -1.559 2.302 1.00 0.88 H new ATOM 965 N GLU A 63 3.058 -0.791 7.315 1.00 0.73 N ATOM 966 CA GLU A 63 3.444 -1.599 8.465 1.00 0.95 C ATOM 967 C GLU A 63 3.131 -0.848 9.762 1.00 0.94 C ATOM 968 O GLU A 63 2.399 -1.353 10.616 1.00 0.92 O ATOM 969 CB GLU A 63 4.877 -2.151 8.354 1.00 1.34 C ATOM 970 CG GLU A 63 6.017 -1.124 8.242 1.00 1.22 C ATOM 971 CD GLU A 63 6.436 -0.476 9.559 1.00 2.32 C ATOM 972 OE1 GLU A 63 6.188 -1.093 10.617 1.00 3.29 O ATOM 973 OE2 GLU A 63 6.998 0.637 9.484 1.00 3.38 O ATOM 0 H GLU A 63 3.815 -0.557 6.672 1.00 0.73 H new ATOM 0 HA GLU A 63 2.836 -2.503 8.483 1.00 0.95 H new ATOM 0 HB2 GLU A 63 5.068 -2.774 9.228 1.00 1.34 H new ATOM 0 HB3 GLU A 63 4.922 -2.803 7.481 1.00 1.34 H new ATOM 0 HG2 GLU A 63 6.886 -1.615 7.804 1.00 1.22 H new ATOM 0 HG3 GLU A 63 5.712 -0.339 7.550 1.00 1.22 H new ATOM 980 N SER A 64 3.592 0.402 9.842 1.00 1.01 N ATOM 981 CA SER A 64 3.450 1.251 11.010 1.00 1.16 C ATOM 982 C SER A 64 1.976 1.432 11.389 1.00 1.04 C ATOM 983 O SER A 64 1.659 1.474 12.576 1.00 1.27 O ATOM 984 CB SER A 64 4.182 2.577 10.764 1.00 1.32 C ATOM 985 OG SER A 64 4.152 3.406 11.911 1.00 1.58 O ATOM 0 H SER A 64 4.085 0.856 9.073 1.00 1.01 H new ATOM 0 HA SER A 64 3.915 0.774 11.873 1.00 1.16 H new ATOM 0 HB2 SER A 64 5.217 2.377 10.485 1.00 1.32 H new ATOM 0 HB3 SER A 64 3.721 3.098 9.925 1.00 1.32 H new ATOM 0 HG SER A 64 4.628 4.242 11.723 1.00 1.58 H new ATOM 991 N LEU A 65 1.068 1.510 10.407 1.00 0.81 N ATOM 992 CA LEU A 65 -0.365 1.519 10.668 1.00 0.72 C ATOM 993 C LEU A 65 -0.782 0.342 11.558 1.00 0.61 C ATOM 994 O LEU A 65 -1.257 0.564 12.671 1.00 0.90 O ATOM 995 CB LEU A 65 -1.151 1.533 9.346 1.00 0.78 C ATOM 996 CG LEU A 65 -1.872 2.857 9.073 1.00 0.71 C ATOM 997 CD1 LEU A 65 -0.953 4.085 9.028 1.00 2.27 C ATOM 998 CD2 LEU A 65 -2.575 2.728 7.719 1.00 1.94 C ATOM 0 H LEU A 65 1.311 1.568 9.418 1.00 0.81 H new ATOM 0 HA LEU A 65 -0.605 2.431 11.215 1.00 0.72 H new ATOM 0 HB2 LEU A 65 -0.466 1.326 8.524 1.00 0.78 H new ATOM 0 HB3 LEU A 65 -1.884 0.726 9.361 1.00 0.78 H new ATOM 0 HG LEU A 65 -2.560 3.024 9.902 1.00 0.71 H new ATOM 0 HD11 LEU A 65 -1.547 4.977 8.830 1.00 2.27 H new ATOM 0 HD12 LEU A 65 -0.444 4.194 9.986 1.00 2.27 H new ATOM 0 HD13 LEU A 65 -0.214 3.958 8.237 1.00 2.27 H new ATOM 0 HD21 LEU A 65 -3.100 3.656 7.492 1.00 1.94 H new ATOM 0 HD22 LEU A 65 -1.836 2.530 6.943 1.00 1.94 H new ATOM 0 HD23 LEU A 65 -3.290 1.906 7.757 1.00 1.94 H new ATOM 1010 N GLY A 66 -0.714 -0.894 11.053 1.00 0.54 N ATOM 1011 CA GLY A 66 -1.061 -2.045 11.882 1.00 0.61 C ATOM 1012 C GLY A 66 -0.530 -3.391 11.396 1.00 0.71 C ATOM 1013 O GLY A 66 -1.066 -4.414 11.819 1.00 1.10 O ATOM 0 H GLY A 66 -0.429 -1.117 10.099 1.00 0.54 H new ATOM 0 HA2 GLY A 66 -0.687 -1.870 12.891 1.00 0.61 H new ATOM 0 HA3 GLY A 66 -2.147 -2.106 11.951 1.00 0.61 H new ATOM 1017 N PHE A 67 0.433 -3.421 10.469 1.00 0.74 N ATOM 1018 CA PHE A 67 0.623 -4.591 9.609 1.00 0.70 C ATOM 1019 C PHE A 67 2.079 -5.034 9.481 1.00 0.97 C ATOM 1020 O PHE A 67 2.998 -4.370 9.948 1.00 1.68 O ATOM 1021 CB PHE A 67 0.031 -4.284 8.222 1.00 0.66 C ATOM 1022 CG PHE A 67 -1.390 -3.756 8.257 1.00 0.55 C ATOM 1023 CD1 PHE A 67 -2.379 -4.475 8.951 1.00 1.96 C ATOM 1024 CD2 PHE A 67 -1.673 -2.460 7.791 1.00 1.68 C ATOM 1025 CE1 PHE A 67 -3.607 -3.868 9.260 1.00 1.93 C ATOM 1026 CE2 PHE A 67 -2.887 -1.841 8.123 1.00 1.71 C ATOM 1027 CZ PHE A 67 -3.854 -2.546 8.854 1.00 0.53 C ATOM 0 H PHE A 67 1.086 -2.657 10.297 1.00 0.74 H new ATOM 0 HA PHE A 67 0.105 -5.427 10.079 1.00 0.70 H new ATOM 0 HB2 PHE A 67 0.666 -3.553 7.722 1.00 0.66 H new ATOM 0 HB3 PHE A 67 0.055 -5.192 7.620 1.00 0.66 H new ATOM 0 HD1 PHE A 67 -2.194 -5.497 9.247 1.00 1.96 H new ATOM 0 HD2 PHE A 67 -0.954 -1.940 7.176 1.00 1.68 H new ATOM 0 HE1 PHE A 67 -4.359 -4.416 9.808 1.00 1.93 H new ATOM 0 HE2 PHE A 67 -3.077 -0.823 7.816 1.00 1.71 H new ATOM 0 HZ PHE A 67 -4.791 -2.071 9.105 1.00 0.53 H new ATOM 1037 N GLU A 68 2.261 -6.158 8.787 1.00 0.61 N ATOM 1038 CA GLU A 68 3.478 -6.535 8.089 1.00 0.66 C ATOM 1039 C GLU A 68 3.175 -6.320 6.596 1.00 0.64 C ATOM 1040 O GLU A 68 2.006 -6.352 6.196 1.00 1.18 O ATOM 1041 CB GLU A 68 3.837 -7.980 8.494 1.00 0.91 C ATOM 1042 CG GLU A 68 4.756 -8.751 7.533 1.00 2.28 C ATOM 1043 CD GLU A 68 6.169 -8.186 7.506 1.00 2.92 C ATOM 1044 OE1 GLU A 68 6.289 -7.001 7.130 1.00 4.01 O ATOM 1045 OE2 GLU A 68 7.090 -8.955 7.853 1.00 3.59 O ATOM 0 H GLU A 68 1.526 -6.859 8.696 1.00 0.61 H new ATOM 0 HA GLU A 68 4.359 -5.945 8.339 1.00 0.66 H new ATOM 0 HB2 GLU A 68 4.314 -7.952 9.474 1.00 0.91 H new ATOM 0 HB3 GLU A 68 2.911 -8.543 8.607 1.00 0.91 H new ATOM 0 HG2 GLU A 68 4.792 -9.799 7.831 1.00 2.28 H new ATOM 0 HG3 GLU A 68 4.335 -8.719 6.528 1.00 2.28 H new ATOM 1052 N ALA A 69 4.197 -6.044 5.783 1.00 0.74 N ATOM 1053 CA ALA A 69 4.070 -5.608 4.398 1.00 0.62 C ATOM 1054 C ALA A 69 5.256 -6.128 3.587 1.00 0.71 C ATOM 1055 O ALA A 69 6.382 -6.146 4.077 1.00 0.99 O ATOM 1056 CB ALA A 69 4.031 -4.077 4.366 1.00 0.82 C ATOM 0 H ALA A 69 5.168 -6.122 6.085 1.00 0.74 H new ATOM 0 HA ALA A 69 3.152 -6.002 3.961 1.00 0.62 H new ATOM 0 HB1 ALA A 69 3.936 -3.737 3.335 1.00 0.82 H new ATOM 0 HB2 ALA A 69 3.178 -3.723 4.945 1.00 0.82 H new ATOM 0 HB3 ALA A 69 4.951 -3.681 4.796 1.00 0.82 H new ATOM 1062 N SER A 70 5.031 -6.580 2.349 1.00 0.66 N ATOM 1063 CA SER A 70 6.099 -7.152 1.535 1.00 0.76 C ATOM 1064 C SER A 70 5.781 -7.031 0.048 1.00 0.83 C ATOM 1065 O SER A 70 4.879 -7.720 -0.415 1.00 0.87 O ATOM 1066 CB SER A 70 6.249 -8.625 1.924 1.00 0.83 C ATOM 1067 OG SER A 70 6.978 -8.741 3.132 1.00 1.50 O ATOM 0 H SER A 70 4.119 -6.559 1.893 1.00 0.66 H new ATOM 0 HA SER A 70 7.028 -6.611 1.715 1.00 0.76 H new ATOM 0 HB2 SER A 70 5.265 -9.080 2.040 1.00 0.83 H new ATOM 0 HB3 SER A 70 6.760 -9.168 1.129 1.00 0.83 H new ATOM 0 HG SER A 70 7.011 -7.870 3.579 1.00 1.50 H new ATOM 1073 N LEU A 71 6.506 -6.185 -0.697 1.00 0.98 N ATOM 1074 CA LEU A 71 6.510 -6.183 -2.165 1.00 1.07 C ATOM 1075 C LEU A 71 6.706 -7.627 -2.644 1.00 1.11 C ATOM 1076 O LEU A 71 7.440 -8.390 -2.017 1.00 1.71 O ATOM 1077 CB LEU A 71 7.634 -5.282 -2.690 1.00 1.30 C ATOM 1078 CG LEU A 71 7.294 -3.783 -2.641 1.00 1.96 C ATOM 1079 CD1 LEU A 71 7.230 -3.234 -1.214 1.00 2.90 C ATOM 1080 CD2 LEU A 71 8.349 -2.978 -3.412 1.00 2.69 C ATOM 0 H LEU A 71 7.114 -5.474 -0.291 1.00 0.98 H new ATOM 0 HA LEU A 71 5.566 -5.792 -2.545 1.00 1.07 H new ATOM 0 HB2 LEU A 71 8.536 -5.461 -2.104 1.00 1.30 H new ATOM 0 HB3 LEU A 71 7.862 -5.561 -3.719 1.00 1.30 H new ATOM 0 HG LEU A 71 6.308 -3.679 -3.094 1.00 1.96 H new ATOM 0 HD11 LEU A 71 6.986 -2.172 -1.243 1.00 2.90 H new ATOM 0 HD12 LEU A 71 6.462 -3.767 -0.653 1.00 2.90 H new ATOM 0 HD13 LEU A 71 8.196 -3.371 -0.728 1.00 2.90 H new ATOM 0 HD21 LEU A 71 8.099 -1.918 -3.371 1.00 2.69 H new ATOM 0 HD22 LEU A 71 9.329 -3.137 -2.962 1.00 2.69 H new ATOM 0 HD23 LEU A 71 8.369 -3.306 -4.451 1.00 2.69 H new ATOM 1092 N VAL A 72 5.990 -8.020 -3.702 1.00 1.03 N ATOM 1093 CA VAL A 72 6.080 -9.361 -4.273 1.00 1.07 C ATOM 1094 C VAL A 72 6.516 -9.277 -5.738 1.00 1.38 C ATOM 1095 O VAL A 72 6.040 -10.047 -6.570 1.00 2.64 O ATOM 1096 CB VAL A 72 4.742 -10.104 -4.071 1.00 1.10 C ATOM 1097 CG1 VAL A 72 4.439 -10.255 -2.580 1.00 1.19 C ATOM 1098 CG2 VAL A 72 3.537 -9.426 -4.740 1.00 1.32 C ATOM 0 H VAL A 72 5.330 -7.412 -4.186 1.00 1.03 H new ATOM 0 HA VAL A 72 6.843 -9.944 -3.757 1.00 1.07 H new ATOM 0 HB VAL A 72 4.878 -11.073 -4.552 1.00 1.10 H new ATOM 0 HG11 VAL A 72 3.493 -10.781 -2.452 1.00 1.19 H new ATOM 0 HG12 VAL A 72 5.237 -10.823 -2.102 1.00 1.19 H new ATOM 0 HG13 VAL A 72 4.371 -9.269 -2.121 1.00 1.19 H new ATOM 0 HG21 VAL A 72 2.638 -10.012 -4.550 1.00 1.32 H new ATOM 0 HG22 VAL A 72 3.410 -8.424 -4.331 1.00 1.32 H new ATOM 0 HG23 VAL A 72 3.707 -9.361 -5.815 1.00 1.32 H new ATOM 1108 N LYS A 73 7.383 -8.310 -6.052 1.00 1.45 N ATOM 1109 CA LYS A 73 7.795 -7.861 -7.377 1.00 1.82 C ATOM 1110 C LYS A 73 8.308 -6.433 -7.212 1.00 3.15 C ATOM 1111 O LYS A 73 7.786 -5.693 -6.380 1.00 4.46 O ATOM 1112 CB LYS A 73 6.677 -7.906 -8.440 1.00 2.61 C ATOM 1113 CG LYS A 73 5.364 -7.233 -8.009 1.00 4.02 C ATOM 1114 CD LYS A 73 4.312 -7.300 -9.126 1.00 5.30 C ATOM 1115 CE LYS A 73 4.489 -6.168 -10.147 1.00 5.73 C ATOM 1116 NZ LYS A 73 3.325 -6.071 -11.049 1.00 6.99 N ATOM 0 H LYS A 73 7.853 -7.778 -5.319 1.00 1.45 H new ATOM 0 HA LYS A 73 8.559 -8.543 -7.750 1.00 1.82 H new ATOM 0 HB2 LYS A 73 7.037 -7.424 -9.349 1.00 2.61 H new ATOM 0 HB3 LYS A 73 6.472 -8.947 -8.691 1.00 2.61 H new ATOM 0 HG2 LYS A 73 4.979 -7.721 -7.114 1.00 4.02 H new ATOM 0 HG3 LYS A 73 5.555 -6.192 -7.748 1.00 4.02 H new ATOM 0 HD2 LYS A 73 4.383 -8.262 -9.634 1.00 5.30 H new ATOM 0 HD3 LYS A 73 3.315 -7.243 -8.690 1.00 5.30 H new ATOM 0 HE2 LYS A 73 4.626 -5.222 -9.624 1.00 5.73 H new ATOM 0 HE3 LYS A 73 5.392 -6.342 -10.733 1.00 5.73 H new ATOM 0 HZ1 LYS A 73 3.530 -5.392 -11.809 1.00 6.99 H new ATOM 0 HZ2 LYS A 73 3.128 -7.004 -11.463 1.00 6.99 H new ATOM 0 HZ3 LYS A 73 2.495 -5.749 -10.511 1.00 6.99 H new ATOM 1130 N ILE A 74 9.313 -6.045 -8.002 1.00 4.48 N ATOM 1131 CA ILE A 74 10.027 -4.772 -7.891 1.00 6.64 C ATOM 1132 C ILE A 74 11.023 -4.872 -6.728 1.00 7.78 C ATOM 1133 O ILE A 74 12.219 -4.682 -6.940 1.00 8.83 O ATOM 1134 CB ILE A 74 9.092 -3.545 -7.777 1.00 7.37 C ATOM 1135 CG1 ILE A 74 7.951 -3.551 -8.815 1.00 6.98 C ATOM 1136 CG2 ILE A 74 9.901 -2.249 -7.926 1.00 9.16 C ATOM 1137 CD1 ILE A 74 6.682 -2.944 -8.211 1.00 6.99 C ATOM 0 H ILE A 74 9.663 -6.629 -8.762 1.00 4.48 H new ATOM 0 HA ILE A 74 10.571 -4.598 -8.819 1.00 6.64 H new ATOM 0 HB ILE A 74 8.634 -3.600 -6.790 1.00 7.37 H new ATOM 0 HG12 ILE A 74 8.249 -2.984 -9.697 1.00 6.98 H new ATOM 0 HG13 ILE A 74 7.754 -4.572 -9.143 1.00 6.98 H new ATOM 0 HG21 ILE A 74 9.233 -1.392 -7.844 1.00 9.16 H new ATOM 0 HG22 ILE A 74 10.655 -2.198 -7.140 1.00 9.16 H new ATOM 0 HG23 ILE A 74 10.391 -2.236 -8.900 1.00 9.16 H new ATOM 0 HD11 ILE A 74 5.885 -2.954 -8.954 1.00 6.99 H new ATOM 0 HD12 ILE A 74 6.377 -3.528 -7.343 1.00 6.99 H new ATOM 0 HD13 ILE A 74 6.880 -1.917 -7.905 1.00 6.99 H new ATOM 1149 N GLU A 75 10.530 -5.232 -5.541 1.00 8.08 N ATOM 1150 CA GLU A 75 11.315 -5.816 -4.467 1.00 9.53 C ATOM 1151 C GLU A 75 10.544 -7.068 -4.023 1.00 9.61 C ATOM 1152 O GLU A 75 9.406 -7.253 -4.528 1.00 9.10 O ATOM 1153 CB GLU A 75 11.532 -4.815 -3.313 1.00 10.88 C ATOM 1154 CG GLU A 75 12.050 -3.446 -3.798 1.00 11.23 C ATOM 1155 CD GLU A 75 12.251 -2.404 -2.700 1.00 12.52 C ATOM 1156 OE1 GLU A 75 12.029 -2.675 -1.505 1.00 13.10 O ATOM 1157 OE2 GLU A 75 12.628 -1.265 -3.050 1.00 13.21 O ATOM 1158 OXT GLU A 75 11.109 -7.825 -3.207 1.00 10.62 O ATOM 0 H GLU A 75 9.545 -5.119 -5.300 1.00 8.08 H new ATOM 0 HA GLU A 75 12.320 -6.078 -4.799 1.00 9.53 H new ATOM 0 HB2 GLU A 75 10.592 -4.674 -2.779 1.00 10.88 H new ATOM 0 HB3 GLU A 75 12.243 -5.236 -2.602 1.00 10.88 H new ATOM 0 HG2 GLU A 75 12.999 -3.596 -4.314 1.00 11.23 H new ATOM 0 HG3 GLU A 75 11.348 -3.048 -4.531 1.00 11.23 H new TER 1165 GLU A 75