USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 413 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 40 LYS NZ :NH3+ 151:sc= -0.0264 (180deg=-0.277) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.545 K(o=-0.55,f=-1.3) USER MOD Single : A 12 GLN : amide:sc= -1.09 K(o=-1.1,f=-0.35) USER MOD Single : A 20 LYS NZ :NH3+ -118:sc= 0 (180deg=-0.155) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 GLN : amide:sc= -0.806 K(o=-0.81,f=-2.4!) USER MOD Single : A 38 SER OG : rot -85:sc= 1.19 USER MOD Single : A 43 TYR OH : rot 161:sc= 0.419 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.116) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.185 USER MOD Single : A 49 GLN : amide:sc= -0.683 K(o=-0.68,f=-2) USER MOD ----------------------------------------------------------------- ATOM 25 N LEU A 3 14.607 2.904 -3.179 1.00 0.82 N ATOM 26 CA LEU A 3 13.537 3.949 -3.243 1.00 0.75 C ATOM 27 C LEU A 3 12.413 3.516 -4.186 1.00 0.60 C ATOM 28 O LEU A 3 11.248 3.705 -3.894 1.00 0.55 O ATOM 29 CB LEU A 3 14.231 5.191 -3.803 1.00 0.85 C ATOM 30 CG LEU A 3 13.335 6.415 -3.605 1.00 1.06 C ATOM 31 CD1 LEU A 3 14.203 7.667 -3.466 1.00 1.23 C ATOM 32 CD2 LEU A 3 12.408 6.571 -4.813 1.00 1.69 C ATOM 0 HA LEU A 3 13.086 4.124 -2.266 1.00 0.75 H new ATOM 0 HB2 LEU A 3 15.187 5.343 -3.301 1.00 0.85 H new ATOM 0 HB3 LEU A 3 14.446 5.053 -4.863 1.00 0.85 H new ATOM 0 HG LEU A 3 12.738 6.284 -2.702 1.00 1.06 H new ATOM 0 HD11 LEU A 3 13.564 8.539 -3.325 1.00 1.23 H new ATOM 0 HD12 LEU A 3 14.863 7.558 -2.606 1.00 1.23 H new ATOM 0 HD13 LEU A 3 14.801 7.797 -4.368 1.00 1.23 H new ATOM 0 HD21 LEU A 3 11.770 7.443 -4.672 1.00 1.69 H new ATOM 0 HD22 LEU A 3 13.005 6.701 -5.716 1.00 1.69 H new ATOM 0 HD23 LEU A 3 11.788 5.680 -4.913 1.00 1.69 H new ATOM 44 N VAL A 4 12.746 2.944 -5.314 1.00 0.64 N ATOM 45 CA VAL A 4 11.678 2.507 -6.277 1.00 0.67 C ATOM 46 C VAL A 4 10.691 1.547 -5.587 1.00 0.58 C ATOM 47 O VAL A 4 9.492 1.630 -5.779 1.00 0.52 O ATOM 48 CB VAL A 4 12.429 1.835 -7.447 1.00 0.91 C ATOM 49 CG1 VAL A 4 12.828 0.388 -7.117 1.00 1.52 C ATOM 50 CG2 VAL A 4 11.530 1.840 -8.687 1.00 1.37 C ATOM 0 H VAL A 4 13.703 2.759 -5.613 1.00 0.64 H new ATOM 0 HA VAL A 4 11.074 3.340 -6.636 1.00 0.67 H new ATOM 0 HB VAL A 4 13.343 2.400 -7.630 1.00 0.91 H new ATOM 0 HG11 VAL A 4 13.354 -0.047 -7.967 1.00 1.52 H new ATOM 0 HG12 VAL A 4 13.481 0.381 -6.244 1.00 1.52 H new ATOM 0 HG13 VAL A 4 11.933 -0.197 -6.906 1.00 1.52 H new ATOM 0 HG21 VAL A 4 12.053 1.367 -9.518 1.00 1.37 H new ATOM 0 HG22 VAL A 4 10.614 1.289 -8.474 1.00 1.37 H new ATOM 0 HG23 VAL A 4 11.282 2.868 -8.952 1.00 1.37 H new ATOM 60 N LEU A 5 11.195 0.649 -4.778 1.00 0.62 N ATOM 61 CA LEU A 5 10.298 -0.315 -4.060 1.00 0.61 C ATOM 62 C LEU A 5 9.312 0.458 -3.179 1.00 0.46 C ATOM 63 O LEU A 5 8.140 0.136 -3.109 1.00 0.41 O ATOM 64 CB LEU A 5 11.238 -1.172 -3.197 1.00 0.77 C ATOM 65 CG LEU A 5 11.574 -2.497 -3.904 1.00 1.13 C ATOM 66 CD1 LEU A 5 10.305 -3.344 -4.056 1.00 1.92 C ATOM 67 CD2 LEU A 5 12.175 -2.221 -5.288 1.00 1.49 C ATOM 0 H LEU A 5 12.190 0.540 -4.582 1.00 0.62 H new ATOM 0 HA LEU A 5 9.710 -0.928 -4.743 1.00 0.61 H new ATOM 0 HB2 LEU A 5 12.156 -0.620 -2.994 1.00 0.77 H new ATOM 0 HB3 LEU A 5 10.769 -1.377 -2.235 1.00 0.77 H new ATOM 0 HG LEU A 5 12.302 -3.040 -3.301 1.00 1.13 H new ATOM 0 HD11 LEU A 5 10.550 -4.280 -4.557 1.00 1.92 H new ATOM 0 HD12 LEU A 5 9.890 -3.558 -3.071 1.00 1.92 H new ATOM 0 HD13 LEU A 5 9.571 -2.797 -4.648 1.00 1.92 H new ATOM 0 HD21 LEU A 5 12.409 -3.166 -5.778 1.00 1.49 H new ATOM 0 HD22 LEU A 5 11.457 -1.666 -5.892 1.00 1.49 H new ATOM 0 HD23 LEU A 5 13.087 -1.634 -5.178 1.00 1.49 H new ATOM 79 N TYR A 6 9.779 1.492 -2.528 1.00 0.44 N ATOM 80 CA TYR A 6 8.875 2.319 -1.671 1.00 0.41 C ATOM 81 C TYR A 6 7.746 2.913 -2.520 1.00 0.32 C ATOM 82 O TYR A 6 6.609 2.987 -2.095 1.00 0.35 O ATOM 83 CB TYR A 6 9.758 3.433 -1.104 1.00 0.54 C ATOM 84 CG TYR A 6 10.344 3.006 0.218 1.00 1.20 C ATOM 85 CD1 TYR A 6 11.567 2.327 0.267 1.00 2.14 C ATOM 86 CD2 TYR A 6 9.663 3.306 1.401 1.00 1.81 C ATOM 87 CE1 TYR A 6 12.107 1.946 1.501 1.00 2.94 C ATOM 88 CE2 TYR A 6 10.200 2.926 2.634 1.00 2.57 C ATOM 89 CZ TYR A 6 11.423 2.247 2.685 1.00 2.97 C ATOM 90 OH TYR A 6 11.955 1.873 3.902 1.00 3.87 O ATOM 0 H TYR A 6 10.751 1.801 -2.553 1.00 0.44 H new ATOM 0 HA TYR A 6 8.410 1.731 -0.880 1.00 0.41 H new ATOM 0 HB2 TYR A 6 10.558 3.667 -1.807 1.00 0.54 H new ATOM 0 HB3 TYR A 6 9.171 4.342 -0.974 1.00 0.54 H new ATOM 0 HD1 TYR A 6 12.094 2.097 -0.647 1.00 2.14 H new ATOM 0 HD2 TYR A 6 8.721 3.832 1.362 1.00 1.81 H new ATOM 0 HE1 TYR A 6 13.050 1.421 1.540 1.00 2.94 H new ATOM 0 HE2 TYR A 6 9.672 3.156 3.547 1.00 2.57 H new ATOM 0 HH TYR A 6 11.356 2.159 4.623 1.00 3.87 H new ATOM 100 N ASN A 7 8.063 3.351 -3.713 1.00 0.33 N ATOM 101 CA ASN A 7 7.018 3.956 -4.597 1.00 0.39 C ATOM 102 C ASN A 7 5.917 2.933 -4.915 1.00 0.35 C ATOM 103 O ASN A 7 4.746 3.256 -4.940 1.00 0.39 O ATOM 104 CB ASN A 7 7.746 4.344 -5.886 1.00 0.53 C ATOM 105 CG ASN A 7 8.725 5.490 -5.615 1.00 0.61 C ATOM 106 OD1 ASN A 7 8.587 6.208 -4.645 1.00 1.12 O ATOM 107 ND2 ASN A 7 9.717 5.694 -6.442 1.00 1.35 N ATOM 0 H ASN A 7 9.000 3.316 -4.114 1.00 0.33 H new ATOM 0 HA ASN A 7 6.540 4.810 -4.117 1.00 0.39 H new ATOM 0 HB2 ASN A 7 8.284 3.483 -6.282 1.00 0.53 H new ATOM 0 HB3 ASN A 7 7.023 4.645 -6.644 1.00 0.53 H new ATOM 0 HD21 ASN A 7 10.374 6.455 -6.272 1.00 1.35 H new ATOM 0 HD22 ASN A 7 9.834 5.092 -7.257 1.00 1.35 H new ATOM 114 N ARG A 8 6.296 1.705 -5.179 1.00 0.35 N ATOM 115 CA ARG A 8 5.286 0.649 -5.526 1.00 0.40 C ATOM 116 C ARG A 8 4.282 0.451 -4.387 1.00 0.33 C ATOM 117 O ARG A 8 3.082 0.452 -4.603 1.00 0.37 O ATOM 118 CB ARG A 8 6.108 -0.621 -5.746 1.00 0.48 C ATOM 119 CG ARG A 8 5.195 -1.783 -6.145 1.00 1.09 C ATOM 120 CD ARG A 8 6.052 -3.032 -6.355 1.00 1.30 C ATOM 121 NE ARG A 8 5.111 -4.082 -6.833 1.00 1.95 N ATOM 122 CZ ARG A 8 5.264 -4.600 -8.022 1.00 2.36 C ATOM 123 NH1 ARG A 8 6.197 -5.488 -8.233 1.00 2.85 N ATOM 124 NH2 ARG A 8 4.482 -4.232 -8.999 1.00 2.93 N ATOM 0 H ARG A 8 7.265 1.386 -5.170 1.00 0.35 H new ATOM 0 HA ARG A 8 4.700 0.921 -6.404 1.00 0.40 H new ATOM 0 HB2 ARG A 8 6.852 -0.450 -6.524 1.00 0.48 H new ATOM 0 HB3 ARG A 8 6.651 -0.873 -4.835 1.00 0.48 H new ATOM 0 HG2 ARG A 8 4.451 -1.962 -5.369 1.00 1.09 H new ATOM 0 HG3 ARG A 8 4.652 -1.540 -7.058 1.00 1.09 H new ATOM 0 HD2 ARG A 8 6.840 -2.849 -7.085 1.00 1.30 H new ATOM 0 HD3 ARG A 8 6.540 -3.334 -5.428 1.00 1.30 H new ATOM 0 HE ARG A 8 4.348 -4.396 -6.233 1.00 1.95 H new ATOM 0 HH11 ARG A 8 6.807 -5.778 -7.469 1.00 2.85 H new ATOM 0 HH12 ARG A 8 6.316 -5.892 -9.162 1.00 2.85 H new ATOM 0 HH21 ARG A 8 3.751 -3.540 -8.834 1.00 2.93 H new ATOM 0 HH22 ARG A 8 4.601 -4.636 -9.928 1.00 2.93 H new ATOM 138 N VAL A 9 4.758 0.282 -3.180 1.00 0.29 N ATOM 139 CA VAL A 9 3.822 0.091 -2.036 1.00 0.32 C ATOM 140 C VAL A 9 3.035 1.387 -1.816 1.00 0.29 C ATOM 141 O VAL A 9 1.847 1.373 -1.559 1.00 0.32 O ATOM 142 CB VAL A 9 4.702 -0.280 -0.827 1.00 0.41 C ATOM 143 CG1 VAL A 9 5.468 -1.567 -1.145 1.00 0.79 C ATOM 144 CG2 VAL A 9 5.712 0.832 -0.515 1.00 1.07 C ATOM 0 H VAL A 9 5.749 0.268 -2.940 1.00 0.29 H new ATOM 0 HA VAL A 9 3.087 -0.695 -2.208 1.00 0.32 H new ATOM 0 HB VAL A 9 4.056 -0.417 0.040 1.00 0.41 H new ATOM 0 HG11 VAL A 9 6.094 -1.837 -0.295 1.00 0.79 H new ATOM 0 HG12 VAL A 9 4.760 -2.372 -1.345 1.00 0.79 H new ATOM 0 HG13 VAL A 9 6.096 -1.409 -2.022 1.00 0.79 H new ATOM 0 HG21 VAL A 9 6.319 0.542 0.343 1.00 1.07 H new ATOM 0 HG22 VAL A 9 6.357 0.990 -1.379 1.00 1.07 H new ATOM 0 HG23 VAL A 9 5.178 1.755 -0.287 1.00 1.07 H new ATOM 154 N ALA A 10 3.698 2.504 -1.943 1.00 0.28 N ATOM 155 CA ALA A 10 3.020 3.827 -1.777 1.00 0.34 C ATOM 156 C ALA A 10 1.902 4.005 -2.813 1.00 0.33 C ATOM 157 O ALA A 10 0.862 4.566 -2.524 1.00 0.36 O ATOM 158 CB ALA A 10 4.117 4.868 -1.997 1.00 0.42 C ATOM 0 H ALA A 10 4.694 2.559 -2.157 1.00 0.28 H new ATOM 0 HA ALA A 10 2.553 3.919 -0.796 1.00 0.34 H new ATOM 0 HB1 ALA A 10 3.696 5.868 -1.891 1.00 0.42 H new ATOM 0 HB2 ALA A 10 4.906 4.726 -1.259 1.00 0.42 H new ATOM 0 HB3 ALA A 10 4.532 4.753 -2.998 1.00 0.42 H new ATOM 164 N VAL A 11 2.123 3.554 -4.026 1.00 0.35 N ATOM 165 CA VAL A 11 1.087 3.725 -5.095 1.00 0.42 C ATOM 166 C VAL A 11 -0.215 3.021 -4.682 1.00 0.41 C ATOM 167 O VAL A 11 -1.277 3.614 -4.732 1.00 0.41 O ATOM 168 CB VAL A 11 1.703 3.085 -6.357 1.00 0.52 C ATOM 169 CG1 VAL A 11 0.660 2.990 -7.478 1.00 0.93 C ATOM 170 CG2 VAL A 11 2.887 3.937 -6.841 1.00 0.95 C ATOM 0 H VAL A 11 2.974 3.076 -4.321 1.00 0.35 H new ATOM 0 HA VAL A 11 0.829 4.770 -5.269 1.00 0.42 H new ATOM 0 HB VAL A 11 2.045 2.081 -6.105 1.00 0.52 H new ATOM 0 HG11 VAL A 11 1.113 2.536 -8.359 1.00 0.93 H new ATOM 0 HG12 VAL A 11 -0.178 2.377 -7.145 1.00 0.93 H new ATOM 0 HG13 VAL A 11 0.302 3.989 -7.728 1.00 0.93 H new ATOM 0 HG21 VAL A 11 3.321 3.484 -7.732 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.539 4.942 -7.078 1.00 0.95 H new ATOM 0 HG23 VAL A 11 3.642 3.990 -6.057 1.00 0.95 H new ATOM 180 N GLN A 12 -0.152 1.775 -4.265 1.00 0.41 N ATOM 181 CA GLN A 12 -1.410 1.074 -3.842 1.00 0.43 C ATOM 182 C GLN A 12 -2.042 1.832 -2.670 1.00 0.39 C ATOM 183 O GLN A 12 -3.217 2.144 -2.677 1.00 0.41 O ATOM 184 CB GLN A 12 -0.971 -0.321 -3.388 1.00 0.49 C ATOM 185 CG GLN A 12 -0.452 -1.122 -4.586 1.00 0.95 C ATOM 186 CD GLN A 12 -1.580 -1.336 -5.598 1.00 1.11 C ATOM 187 OE1 GLN A 12 -1.425 -1.044 -6.767 1.00 1.61 O ATOM 188 NE2 GLN A 12 -2.715 -1.839 -5.197 1.00 1.84 N ATOM 0 H GLN A 12 0.702 1.221 -4.200 1.00 0.41 H new ATOM 0 HA GLN A 12 -2.144 1.022 -4.646 1.00 0.43 H new ATOM 0 HB2 GLN A 12 -0.192 -0.238 -2.631 1.00 0.49 H new ATOM 0 HB3 GLN A 12 -1.809 -0.843 -2.927 1.00 0.49 H new ATOM 0 HG2 GLN A 12 0.376 -0.592 -5.058 1.00 0.95 H new ATOM 0 HG3 GLN A 12 -0.065 -2.084 -4.251 1.00 0.95 H new ATOM 0 HE21 GLN A 12 -2.846 -2.084 -4.216 1.00 1.84 H new ATOM 0 HE22 GLN A 12 -3.472 -1.987 -5.865 1.00 1.84 H new ATOM 197 N GLY A 13 -1.252 2.090 -1.649 1.00 0.36 N ATOM 198 CA GLY A 13 -1.728 2.798 -0.408 1.00 0.36 C ATOM 199 C GLY A 13 -2.688 3.945 -0.771 1.00 0.34 C ATOM 200 O GLY A 13 -3.820 3.995 -0.330 1.00 0.34 O ATOM 0 H GLY A 13 -0.266 1.831 -1.624 1.00 0.36 H new ATOM 0 HA2 GLY A 13 -2.232 2.090 0.250 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -0.874 3.192 0.142 1.00 0.36 H new ATOM 204 N ASP A 14 -2.215 4.868 -1.567 1.00 0.35 N ATOM 205 CA ASP A 14 -3.053 6.037 -1.976 1.00 0.36 C ATOM 206 C ASP A 14 -4.292 5.582 -2.752 1.00 0.33 C ATOM 207 O ASP A 14 -5.360 6.143 -2.598 1.00 0.34 O ATOM 208 CB ASP A 14 -2.146 6.890 -2.868 1.00 0.42 C ATOM 209 CG ASP A 14 -1.045 7.541 -2.022 1.00 0.48 C ATOM 210 OD1 ASP A 14 -1.266 7.738 -0.837 1.00 1.00 O ATOM 211 OD2 ASP A 14 0.002 7.831 -2.576 1.00 1.12 O ATOM 0 H ASP A 14 -1.272 4.862 -1.956 1.00 0.35 H new ATOM 0 HA ASP A 14 -3.417 6.591 -1.111 1.00 0.36 H new ATOM 0 HB2 ASP A 14 -1.700 6.271 -3.646 1.00 0.42 H new ATOM 0 HB3 ASP A 14 -2.734 7.659 -3.370 1.00 0.42 H new ATOM 216 N VAL A 15 -4.161 4.584 -3.594 1.00 0.34 N ATOM 217 CA VAL A 15 -5.343 4.117 -4.391 1.00 0.35 C ATOM 218 C VAL A 15 -6.458 3.660 -3.442 1.00 0.33 C ATOM 219 O VAL A 15 -7.622 3.930 -3.670 1.00 0.32 O ATOM 220 CB VAL A 15 -4.830 2.939 -5.235 1.00 0.40 C ATOM 221 CG1 VAL A 15 -5.993 2.297 -6.003 1.00 0.45 C ATOM 222 CG2 VAL A 15 -3.785 3.442 -6.233 1.00 0.46 C ATOM 0 H VAL A 15 -3.294 4.075 -3.764 1.00 0.34 H new ATOM 0 HA VAL A 15 -5.756 4.905 -5.020 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.382 2.197 -4.573 1.00 0.40 H new ATOM 0 HG11 VAL A 15 -5.620 1.463 -6.598 1.00 0.45 H new ATOM 0 HG12 VAL A 15 -6.739 1.933 -5.296 1.00 0.45 H new ATOM 0 HG13 VAL A 15 -6.447 3.038 -6.661 1.00 0.45 H new ATOM 0 HG21 VAL A 15 -3.421 2.607 -6.831 1.00 0.46 H new ATOM 0 HG22 VAL A 15 -4.236 4.188 -6.887 1.00 0.46 H new ATOM 0 HG23 VAL A 15 -2.952 3.891 -5.692 1.00 0.46 H new ATOM 232 N VAL A 16 -6.109 2.986 -2.373 1.00 0.34 N ATOM 233 CA VAL A 16 -7.152 2.527 -1.401 1.00 0.35 C ATOM 234 C VAL A 16 -7.891 3.753 -0.851 1.00 0.33 C ATOM 235 O VAL A 16 -9.106 3.808 -0.843 1.00 0.33 O ATOM 236 CB VAL A 16 -6.372 1.801 -0.290 1.00 0.41 C ATOM 237 CG1 VAL A 16 -7.293 1.467 0.893 1.00 0.70 C ATOM 238 CG2 VAL A 16 -5.791 0.505 -0.852 1.00 0.60 C ATOM 0 H VAL A 16 -5.151 2.734 -2.131 1.00 0.34 H new ATOM 0 HA VAL A 16 -7.899 1.870 -1.848 1.00 0.35 H new ATOM 0 HB VAL A 16 -5.574 2.455 0.061 1.00 0.41 H new ATOM 0 HG11 VAL A 16 -6.721 0.954 1.666 1.00 0.70 H new ATOM 0 HG12 VAL A 16 -7.710 2.388 1.301 1.00 0.70 H new ATOM 0 HG13 VAL A 16 -8.103 0.821 0.553 1.00 0.70 H new ATOM 0 HG21 VAL A 16 -5.237 -0.015 -0.070 1.00 0.60 H new ATOM 0 HG22 VAL A 16 -6.600 -0.132 -1.208 1.00 0.60 H new ATOM 0 HG23 VAL A 16 -5.120 0.736 -1.680 1.00 0.60 H new ATOM 248 N ARG A 17 -7.155 4.736 -0.400 1.00 0.34 N ATOM 249 CA ARG A 17 -7.796 5.971 0.142 1.00 0.36 C ATOM 250 C ARG A 17 -8.656 6.638 -0.941 1.00 0.32 C ATOM 251 O ARG A 17 -9.764 7.070 -0.686 1.00 0.33 O ATOM 252 CB ARG A 17 -6.633 6.884 0.548 1.00 0.41 C ATOM 253 CG ARG A 17 -7.184 8.151 1.206 1.00 1.01 C ATOM 254 CD ARG A 17 -6.041 9.137 1.473 1.00 1.36 C ATOM 255 NE ARG A 17 -5.280 8.570 2.624 1.00 1.99 N ATOM 256 CZ ARG A 17 -4.267 9.230 3.121 1.00 2.51 C ATOM 257 NH1 ARG A 17 -4.471 10.178 3.996 1.00 3.15 N ATOM 258 NH2 ARG A 17 -3.052 8.945 2.740 1.00 2.93 N ATOM 0 H ARG A 17 -6.135 4.736 -0.384 1.00 0.34 H new ATOM 0 HA ARG A 17 -8.454 5.758 0.985 1.00 0.36 H new ATOM 0 HB2 ARG A 17 -5.971 6.362 1.238 1.00 0.41 H new ATOM 0 HB3 ARG A 17 -6.039 7.145 -0.328 1.00 0.41 H new ATOM 0 HG2 ARG A 17 -7.931 8.612 0.560 1.00 1.01 H new ATOM 0 HG3 ARG A 17 -7.684 7.898 2.141 1.00 1.01 H new ATOM 0 HD2 ARG A 17 -5.403 9.243 0.596 1.00 1.36 H new ATOM 0 HD3 ARG A 17 -6.427 10.129 1.709 1.00 1.36 H new ATOM 0 HE ARG A 17 -5.549 7.670 3.022 1.00 1.99 H new ATOM 0 HH11 ARG A 17 -5.421 10.403 4.292 1.00 3.15 H new ATOM 0 HH12 ARG A 17 -3.680 10.693 4.384 1.00 3.15 H new ATOM 0 HH21 ARG A 17 -2.892 8.207 2.054 1.00 2.93 H new ATOM 0 HH22 ARG A 17 -2.262 9.460 3.128 1.00 2.93 H new ATOM 272 N GLU A 18 -8.148 6.722 -2.148 1.00 0.32 N ATOM 273 CA GLU A 18 -8.928 7.364 -3.254 1.00 0.33 C ATOM 274 C GLU A 18 -10.234 6.611 -3.525 1.00 0.30 C ATOM 275 O GLU A 18 -11.267 7.219 -3.739 1.00 0.35 O ATOM 276 CB GLU A 18 -8.020 7.305 -4.477 1.00 0.39 C ATOM 277 CG GLU A 18 -6.846 8.269 -4.296 1.00 1.06 C ATOM 278 CD GLU A 18 -5.939 8.203 -5.526 1.00 1.56 C ATOM 279 OE1 GLU A 18 -5.094 7.324 -5.568 1.00 2.12 O ATOM 280 OE2 GLU A 18 -6.105 9.033 -6.405 1.00 2.23 O ATOM 0 H GLU A 18 -7.227 6.374 -2.415 1.00 0.32 H new ATOM 0 HA GLU A 18 -9.209 8.385 -2.997 1.00 0.33 H new ATOM 0 HB2 GLU A 18 -7.650 6.289 -4.619 1.00 0.39 H new ATOM 0 HB3 GLU A 18 -8.583 7.567 -5.373 1.00 0.39 H new ATOM 0 HG2 GLU A 18 -7.214 9.285 -4.156 1.00 1.06 H new ATOM 0 HG3 GLU A 18 -6.282 8.008 -3.400 1.00 1.06 H new ATOM 287 N LEU A 19 -10.205 5.298 -3.520 1.00 0.28 N ATOM 288 CA LEU A 19 -11.460 4.524 -3.780 1.00 0.32 C ATOM 289 C LEU A 19 -12.510 4.863 -2.720 1.00 0.36 C ATOM 290 O LEU A 19 -13.673 5.059 -3.018 1.00 0.42 O ATOM 291 CB LEU A 19 -11.066 3.053 -3.684 1.00 0.34 C ATOM 292 CG LEU A 19 -10.181 2.671 -4.874 1.00 0.43 C ATOM 293 CD1 LEU A 19 -9.603 1.271 -4.654 1.00 1.02 C ATOM 294 CD2 LEU A 19 -11.015 2.679 -6.157 1.00 0.69 C ATOM 0 H LEU A 19 -9.373 4.734 -3.348 1.00 0.28 H new ATOM 0 HA LEU A 19 -11.890 4.760 -4.753 1.00 0.32 H new ATOM 0 HB2 LEU A 19 -10.534 2.870 -2.751 1.00 0.34 H new ATOM 0 HB3 LEU A 19 -11.959 2.429 -3.669 1.00 0.34 H new ATOM 0 HG LEU A 19 -9.368 3.391 -4.964 1.00 0.43 H new ATOM 0 HD11 LEU A 19 -8.973 1.000 -5.501 1.00 1.02 H new ATOM 0 HD12 LEU A 19 -9.007 1.263 -3.742 1.00 1.02 H new ATOM 0 HD13 LEU A 19 -10.417 0.552 -4.562 1.00 1.02 H new ATOM 0 HD21 LEU A 19 -10.384 2.407 -7.003 1.00 0.69 H new ATOM 0 HD22 LEU A 19 -11.829 1.960 -6.066 1.00 0.69 H new ATOM 0 HD23 LEU A 19 -11.427 3.675 -6.317 1.00 0.69 H new ATOM 306 N LYS A 20 -12.093 4.940 -1.483 1.00 0.39 N ATOM 307 CA LYS A 20 -13.038 5.275 -0.384 1.00 0.51 C ATOM 308 C LYS A 20 -13.532 6.699 -0.580 1.00 0.57 C ATOM 309 O LYS A 20 -14.698 6.997 -0.405 1.00 0.67 O ATOM 310 CB LYS A 20 -12.234 5.146 0.910 1.00 0.59 C ATOM 311 CG LYS A 20 -13.196 4.975 2.084 1.00 0.84 C ATOM 312 CD LYS A 20 -13.777 3.560 2.044 1.00 1.09 C ATOM 313 CE LYS A 20 -14.419 3.227 3.392 1.00 1.44 C ATOM 314 NZ LYS A 20 -15.669 4.035 3.433 1.00 2.08 N ATOM 0 H LYS A 20 -11.129 4.783 -1.188 1.00 0.39 H new ATOM 0 HA LYS A 20 -13.910 4.621 -0.362 1.00 0.51 H new ATOM 0 HB2 LYS A 20 -11.560 4.292 0.850 1.00 0.59 H new ATOM 0 HB3 LYS A 20 -11.615 6.031 1.057 1.00 0.59 H new ATOM 0 HG2 LYS A 20 -12.675 5.142 3.026 1.00 0.84 H new ATOM 0 HG3 LYS A 20 -13.996 5.713 2.027 1.00 0.84 H new ATOM 0 HD2 LYS A 20 -14.518 3.483 1.249 1.00 1.09 H new ATOM 0 HD3 LYS A 20 -12.991 2.840 1.817 1.00 1.09 H new ATOM 0 HE2 LYS A 20 -14.635 2.162 3.474 1.00 1.44 H new ATOM 0 HE3 LYS A 20 -13.756 3.483 4.219 1.00 1.44 H new ATOM 0 HZ1 LYS A 20 -15.623 4.705 4.227 1.00 2.08 H new ATOM 0 HZ2 LYS A 20 -15.772 4.560 2.541 1.00 2.08 H new ATOM 0 HZ3 LYS A 20 -16.486 3.404 3.559 1.00 2.08 H new ATOM 328 N ALA A 21 -12.646 7.577 -0.980 1.00 0.55 N ATOM 329 CA ALA A 21 -13.050 8.990 -1.235 1.00 0.67 C ATOM 330 C ALA A 21 -14.115 9.006 -2.337 1.00 0.69 C ATOM 331 O ALA A 21 -14.948 9.890 -2.396 1.00 0.81 O ATOM 332 CB ALA A 21 -11.777 9.704 -1.698 1.00 0.67 C ATOM 0 H ALA A 21 -11.659 7.374 -1.141 1.00 0.55 H new ATOM 0 HA ALA A 21 -13.471 9.477 -0.355 1.00 0.67 H new ATOM 0 HB1 ALA A 21 -12.001 10.751 -1.904 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -11.020 9.642 -0.916 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -11.402 9.228 -2.604 1.00 0.67 H new ATOM 338 N LYS A 22 -14.099 8.010 -3.197 1.00 0.62 N ATOM 339 CA LYS A 22 -15.122 7.942 -4.285 1.00 0.71 C ATOM 340 C LYS A 22 -16.393 7.224 -3.796 1.00 0.74 C ATOM 341 O LYS A 22 -17.256 6.895 -4.585 1.00 0.81 O ATOM 342 CB LYS A 22 -14.469 7.155 -5.424 1.00 0.73 C ATOM 343 CG LYS A 22 -13.359 7.995 -6.062 1.00 1.07 C ATOM 344 CD LYS A 22 -12.860 7.301 -7.333 1.00 1.07 C ATOM 345 CE LYS A 22 -11.946 6.133 -6.955 1.00 1.91 C ATOM 346 NZ LYS A 22 -11.305 5.716 -8.234 1.00 2.11 N ATOM 0 H LYS A 22 -13.423 7.246 -3.189 1.00 0.62 H new ATOM 0 HA LYS A 22 -15.426 8.938 -4.606 1.00 0.71 H new ATOM 0 HB2 LYS A 22 -14.058 6.220 -5.044 1.00 0.73 H new ATOM 0 HB3 LYS A 22 -15.216 6.893 -6.173 1.00 0.73 H new ATOM 0 HG2 LYS A 22 -13.733 8.990 -6.301 1.00 1.07 H new ATOM 0 HG3 LYS A 22 -12.536 8.125 -5.359 1.00 1.07 H new ATOM 0 HD2 LYS A 22 -13.706 6.940 -7.918 1.00 1.07 H new ATOM 0 HD3 LYS A 22 -12.320 8.011 -7.959 1.00 1.07 H new ATOM 0 HE2 LYS A 22 -11.200 6.437 -6.220 1.00 1.91 H new ATOM 0 HE3 LYS A 22 -12.514 5.314 -6.513 1.00 1.91 H new ATOM 0 HZ1 LYS A 22 -10.662 4.918 -8.056 1.00 2.11 H new ATOM 0 HZ2 LYS A 22 -12.039 5.426 -8.911 1.00 2.11 H new ATOM 0 HZ3 LYS A 22 -10.766 6.513 -8.628 1.00 2.11 H new ATOM 360 N LYS A 23 -16.509 6.967 -2.506 1.00 0.72 N ATOM 361 CA LYS A 23 -17.722 6.265 -1.959 1.00 0.79 C ATOM 362 C LYS A 23 -17.921 4.906 -2.631 1.00 0.77 C ATOM 363 O LYS A 23 -19.006 4.355 -2.623 1.00 0.85 O ATOM 364 CB LYS A 23 -18.909 7.173 -2.255 1.00 0.91 C ATOM 365 CG LYS A 23 -18.747 8.494 -1.503 1.00 0.97 C ATOM 366 CD LYS A 23 -19.943 9.394 -1.809 1.00 1.26 C ATOM 367 CE LYS A 23 -19.797 10.722 -1.063 1.00 1.53 C ATOM 368 NZ LYS A 23 -20.850 11.602 -1.644 1.00 2.28 N ATOM 0 H LYS A 23 -15.810 7.216 -1.806 1.00 0.72 H new ATOM 0 HA LYS A 23 -17.612 6.079 -0.891 1.00 0.79 H new ATOM 0 HB2 LYS A 23 -18.978 7.360 -3.327 1.00 0.91 H new ATOM 0 HB3 LYS A 23 -19.836 6.685 -1.956 1.00 0.91 H new ATOM 0 HG2 LYS A 23 -18.679 8.310 -0.431 1.00 0.97 H new ATOM 0 HG3 LYS A 23 -17.821 8.985 -1.801 1.00 0.97 H new ATOM 0 HD2 LYS A 23 -20.009 9.574 -2.882 1.00 1.26 H new ATOM 0 HD3 LYS A 23 -20.868 8.899 -1.512 1.00 1.26 H new ATOM 0 HE2 LYS A 23 -19.939 10.591 0.010 1.00 1.53 H new ATOM 0 HE3 LYS A 23 -18.804 11.148 -1.204 1.00 1.53 H new ATOM 0 HZ1 LYS A 23 -20.816 12.534 -1.184 1.00 2.28 H new ATOM 0 HZ2 LYS A 23 -20.685 11.713 -2.665 1.00 2.28 H new ATOM 0 HZ3 LYS A 23 -21.785 11.174 -1.489 1.00 2.28 H new ATOM 382 N ALA A 24 -16.883 4.362 -3.200 1.00 0.68 N ATOM 383 CA ALA A 24 -16.998 3.027 -3.864 1.00 0.70 C ATOM 384 C ALA A 24 -17.421 1.974 -2.825 1.00 0.71 C ATOM 385 O ALA A 24 -17.315 2.216 -1.639 1.00 0.71 O ATOM 386 CB ALA A 24 -15.601 2.728 -4.415 1.00 0.62 C ATOM 0 H ALA A 24 -15.955 4.783 -3.236 1.00 0.68 H new ATOM 0 HA ALA A 24 -17.745 3.013 -4.658 1.00 0.70 H new ATOM 0 HB1 ALA A 24 -15.607 1.761 -4.918 1.00 0.62 H new ATOM 0 HB2 ALA A 24 -15.316 3.504 -5.125 1.00 0.62 H new ATOM 0 HB3 ALA A 24 -14.883 2.706 -3.595 1.00 0.62 H new ATOM 392 N PRO A 25 -17.907 0.843 -3.289 1.00 0.77 N ATOM 393 CA PRO A 25 -18.363 -0.216 -2.351 1.00 0.82 C ATOM 394 C PRO A 25 -17.183 -0.827 -1.598 1.00 0.71 C ATOM 395 O PRO A 25 -16.040 -0.699 -1.994 1.00 0.60 O ATOM 396 CB PRO A 25 -19.014 -1.252 -3.264 1.00 0.93 C ATOM 397 CG PRO A 25 -18.373 -1.040 -4.595 1.00 0.91 C ATOM 398 CD PRO A 25 -18.074 0.433 -4.693 1.00 0.84 C ATOM 0 HA PRO A 25 -19.041 0.164 -1.587 1.00 0.82 H new ATOM 0 HB2 PRO A 25 -18.843 -2.265 -2.899 1.00 0.93 H new ATOM 0 HB3 PRO A 25 -20.093 -1.110 -3.317 1.00 0.93 H new ATOM 0 HG2 PRO A 25 -17.460 -1.628 -4.684 1.00 0.91 H new ATOM 0 HG3 PRO A 25 -19.036 -1.356 -5.400 1.00 0.91 H new ATOM 0 HD2 PRO A 25 -17.173 0.622 -5.276 1.00 0.84 H new ATOM 0 HD3 PRO A 25 -18.886 0.976 -5.176 1.00 0.84 H new ATOM 406 N LYS A 26 -17.464 -1.504 -0.515 1.00 0.76 N ATOM 407 CA LYS A 26 -16.380 -2.155 0.287 1.00 0.68 C ATOM 408 C LYS A 26 -15.537 -3.075 -0.609 1.00 0.60 C ATOM 409 O LYS A 26 -14.387 -3.351 -0.324 1.00 0.52 O ATOM 410 CB LYS A 26 -17.120 -2.959 1.358 1.00 0.82 C ATOM 411 CG LYS A 26 -17.792 -1.990 2.334 1.00 0.93 C ATOM 412 CD LYS A 26 -18.537 -2.778 3.413 1.00 1.22 C ATOM 413 CE LYS A 26 -19.207 -1.804 4.386 1.00 1.61 C ATOM 414 NZ LYS A 26 -20.387 -2.541 4.916 1.00 2.00 N ATOM 0 H LYS A 26 -18.406 -1.636 -0.147 1.00 0.76 H new ATOM 0 HA LYS A 26 -15.691 -1.433 0.725 1.00 0.68 H new ATOM 0 HB2 LYS A 26 -17.866 -3.605 0.895 1.00 0.82 H new ATOM 0 HB3 LYS A 26 -16.424 -3.607 1.890 1.00 0.82 H new ATOM 0 HG2 LYS A 26 -17.044 -1.344 2.793 1.00 0.93 H new ATOM 0 HG3 LYS A 26 -18.486 -1.343 1.798 1.00 0.93 H new ATOM 0 HD2 LYS A 26 -19.286 -3.424 2.955 1.00 1.22 H new ATOM 0 HD3 LYS A 26 -17.843 -3.425 3.950 1.00 1.22 H new ATOM 0 HE2 LYS A 26 -18.527 -1.517 5.189 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -19.509 -0.886 3.881 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -20.899 -1.938 5.591 1.00 2.00 H new ATOM 0 HZ2 LYS A 26 -21.019 -2.795 4.130 1.00 2.00 H new ATOM 0 HZ3 LYS A 26 -20.068 -3.406 5.397 1.00 2.00 H new ATOM 428 N GLU A 27 -16.109 -3.544 -1.692 1.00 0.66 N ATOM 429 CA GLU A 27 -15.356 -4.444 -2.620 1.00 0.65 C ATOM 430 C GLU A 27 -14.108 -3.727 -3.151 1.00 0.56 C ATOM 431 O GLU A 27 -13.045 -4.311 -3.255 1.00 0.55 O ATOM 432 CB GLU A 27 -16.331 -4.727 -3.765 1.00 0.78 C ATOM 433 CG GLU A 27 -15.700 -5.724 -4.737 1.00 1.25 C ATOM 434 CD GLU A 27 -15.680 -7.130 -4.119 1.00 1.61 C ATOM 435 OE1 GLU A 27 -16.328 -7.331 -3.102 1.00 2.08 O ATOM 436 OE2 GLU A 27 -15.019 -7.987 -4.682 1.00 2.22 O ATOM 0 H GLU A 27 -17.068 -3.341 -1.973 1.00 0.66 H new ATOM 0 HA GLU A 27 -15.018 -5.357 -2.130 1.00 0.65 H new ATOM 0 HB2 GLU A 27 -17.265 -5.128 -3.371 1.00 0.78 H new ATOM 0 HB3 GLU A 27 -16.576 -3.801 -4.285 1.00 0.78 H new ATOM 0 HG2 GLU A 27 -16.262 -5.738 -5.671 1.00 1.25 H new ATOM 0 HG3 GLU A 27 -14.685 -5.412 -4.981 1.00 1.25 H new ATOM 443 N ASP A 28 -14.230 -2.464 -3.479 1.00 0.53 N ATOM 444 CA ASP A 28 -13.051 -1.701 -4.000 1.00 0.49 C ATOM 445 C ASP A 28 -12.052 -1.411 -2.879 1.00 0.39 C ATOM 446 O ASP A 28 -10.857 -1.575 -3.044 1.00 0.36 O ATOM 447 CB ASP A 28 -13.627 -0.385 -4.532 1.00 0.52 C ATOM 448 CG ASP A 28 -14.242 -0.599 -5.920 1.00 0.68 C ATOM 449 OD1 ASP A 28 -13.869 -1.559 -6.579 1.00 1.05 O ATOM 450 OD2 ASP A 28 -15.073 0.206 -6.305 1.00 1.46 O ATOM 0 H ASP A 28 -15.095 -1.928 -3.409 1.00 0.53 H new ATOM 0 HA ASP A 28 -12.518 -2.264 -4.766 1.00 0.49 H new ATOM 0 HB2 ASP A 28 -14.384 -0.007 -3.845 1.00 0.52 H new ATOM 0 HB3 ASP A 28 -12.841 0.369 -4.587 1.00 0.52 H new ATOM 455 N VAL A 29 -12.532 -0.967 -1.746 1.00 0.37 N ATOM 456 CA VAL A 29 -11.608 -0.649 -0.614 1.00 0.32 C ATOM 457 C VAL A 29 -10.952 -1.930 -0.087 1.00 0.29 C ATOM 458 O VAL A 29 -9.746 -2.002 0.063 1.00 0.27 O ATOM 459 CB VAL A 29 -12.502 -0.007 0.457 1.00 0.38 C ATOM 460 CG1 VAL A 29 -11.678 0.318 1.707 1.00 0.57 C ATOM 461 CG2 VAL A 29 -13.108 1.284 -0.100 1.00 0.65 C ATOM 0 H VAL A 29 -13.522 -0.811 -1.555 1.00 0.37 H new ATOM 0 HA VAL A 29 -10.796 0.014 -0.913 1.00 0.32 H new ATOM 0 HB VAL A 29 -13.295 -0.705 0.726 1.00 0.38 H new ATOM 0 HG11 VAL A 29 -12.322 0.773 2.459 1.00 0.57 H new ATOM 0 HG12 VAL A 29 -11.245 -0.599 2.106 1.00 0.57 H new ATOM 0 HG13 VAL A 29 -10.879 1.012 1.446 1.00 0.57 H new ATOM 0 HG21 VAL A 29 -13.744 1.744 0.657 1.00 0.65 H new ATOM 0 HG22 VAL A 29 -12.309 1.974 -0.370 1.00 0.65 H new ATOM 0 HG23 VAL A 29 -13.704 1.055 -0.984 1.00 0.65 H new ATOM 471 N ASP A 30 -11.739 -2.933 0.203 1.00 0.34 N ATOM 472 CA ASP A 30 -11.171 -4.211 0.731 1.00 0.37 C ATOM 473 C ASP A 30 -10.188 -4.834 -0.269 1.00 0.34 C ATOM 474 O ASP A 30 -9.129 -5.304 0.103 1.00 0.34 O ATOM 475 CB ASP A 30 -12.380 -5.126 0.944 1.00 0.45 C ATOM 476 CG ASP A 30 -13.215 -4.609 2.122 1.00 0.51 C ATOM 477 OD1 ASP A 30 -12.650 -3.966 2.993 1.00 1.33 O ATOM 478 OD2 ASP A 30 -14.408 -4.862 2.130 1.00 1.02 O ATOM 0 H ASP A 30 -12.753 -2.923 0.097 1.00 0.34 H new ATOM 0 HA ASP A 30 -10.609 -4.053 1.651 1.00 0.37 H new ATOM 0 HB2 ASP A 30 -12.988 -5.158 0.040 1.00 0.45 H new ATOM 0 HB3 ASP A 30 -12.047 -6.145 1.140 1.00 0.45 H new ATOM 483 N ALA A 31 -10.535 -4.849 -1.533 1.00 0.36 N ATOM 484 CA ALA A 31 -9.623 -5.450 -2.557 1.00 0.38 C ATOM 485 C ALA A 31 -8.300 -4.689 -2.613 1.00 0.33 C ATOM 486 O ALA A 31 -7.234 -5.274 -2.572 1.00 0.36 O ATOM 487 CB ALA A 31 -10.366 -5.324 -3.889 1.00 0.46 C ATOM 0 H ALA A 31 -11.409 -4.472 -1.900 1.00 0.36 H new ATOM 0 HA ALA A 31 -9.382 -6.487 -2.322 1.00 0.38 H new ATOM 0 HB1 ALA A 31 -9.755 -5.745 -4.688 1.00 0.46 H new ATOM 0 HB2 ALA A 31 -11.311 -5.864 -3.831 1.00 0.46 H new ATOM 0 HB3 ALA A 31 -10.562 -4.272 -4.098 1.00 0.46 H new ATOM 493 N ALA A 32 -8.368 -3.389 -2.719 1.00 0.32 N ATOM 494 CA ALA A 32 -7.118 -2.573 -2.794 1.00 0.34 C ATOM 495 C ALA A 32 -6.335 -2.672 -1.485 1.00 0.31 C ATOM 496 O ALA A 32 -5.126 -2.818 -1.496 1.00 0.36 O ATOM 497 CB ALA A 32 -7.587 -1.138 -3.038 1.00 0.39 C ATOM 0 H ALA A 32 -9.236 -2.855 -2.757 1.00 0.32 H new ATOM 0 HA ALA A 32 -6.451 -2.919 -3.584 1.00 0.34 H new ATOM 0 HB1 ALA A 32 -6.722 -0.479 -3.105 1.00 0.39 H new ATOM 0 HB2 ALA A 32 -8.150 -1.093 -3.970 1.00 0.39 H new ATOM 0 HB3 ALA A 32 -8.224 -0.818 -2.213 1.00 0.39 H new ATOM 503 N VAL A 33 -7.006 -2.610 -0.359 1.00 0.26 N ATOM 504 CA VAL A 33 -6.276 -2.721 0.937 1.00 0.29 C ATOM 505 C VAL A 33 -5.706 -4.140 1.042 1.00 0.31 C ATOM 506 O VAL A 33 -4.604 -4.341 1.516 1.00 0.35 O ATOM 507 CB VAL A 33 -7.310 -2.362 2.039 1.00 0.31 C ATOM 508 CG1 VAL A 33 -8.046 -3.591 2.604 1.00 0.55 C ATOM 509 CG2 VAL A 33 -6.585 -1.646 3.181 1.00 0.57 C ATOM 0 H VAL A 33 -8.016 -2.489 -0.284 1.00 0.26 H new ATOM 0 HA VAL A 33 -5.425 -2.047 1.036 1.00 0.29 H new ATOM 0 HB VAL A 33 -8.064 -1.722 1.579 1.00 0.31 H new ATOM 0 HG11 VAL A 33 -8.754 -3.271 3.369 1.00 0.55 H new ATOM 0 HG12 VAL A 33 -8.583 -4.095 1.800 1.00 0.55 H new ATOM 0 HG13 VAL A 33 -7.323 -4.278 3.043 1.00 0.55 H new ATOM 0 HG21 VAL A 33 -7.301 -1.388 3.962 1.00 0.57 H new ATOM 0 HG22 VAL A 33 -5.819 -2.302 3.594 1.00 0.57 H new ATOM 0 HG23 VAL A 33 -6.118 -0.737 2.802 1.00 0.57 H new ATOM 519 N LYS A 34 -6.438 -5.123 0.557 1.00 0.30 N ATOM 520 CA LYS A 34 -5.914 -6.524 0.579 1.00 0.34 C ATOM 521 C LYS A 34 -4.620 -6.557 -0.236 1.00 0.35 C ATOM 522 O LYS A 34 -3.621 -7.120 0.167 1.00 0.38 O ATOM 523 CB LYS A 34 -6.990 -7.387 -0.085 1.00 0.35 C ATOM 524 CG LYS A 34 -6.555 -8.855 -0.050 1.00 1.04 C ATOM 525 CD LYS A 34 -7.624 -9.725 -0.716 1.00 1.51 C ATOM 526 CE LYS A 34 -7.271 -11.204 -0.533 1.00 2.23 C ATOM 527 NZ LYS A 34 -8.306 -11.942 -1.310 1.00 2.82 N ATOM 0 H LYS A 34 -7.367 -5.012 0.151 1.00 0.30 H new ATOM 0 HA LYS A 34 -5.701 -6.884 1.586 1.00 0.34 H new ATOM 0 HB2 LYS A 34 -7.941 -7.265 0.433 1.00 0.35 H new ATOM 0 HB3 LYS A 34 -7.145 -7.066 -1.115 1.00 0.35 H new ATOM 0 HG2 LYS A 34 -5.602 -8.974 -0.565 1.00 1.04 H new ATOM 0 HG3 LYS A 34 -6.402 -9.175 0.981 1.00 1.04 H new ATOM 0 HD2 LYS A 34 -8.601 -9.517 -0.279 1.00 1.51 H new ATOM 0 HD3 LYS A 34 -7.693 -9.486 -1.777 1.00 1.51 H new ATOM 0 HE2 LYS A 34 -6.269 -11.420 -0.904 1.00 2.23 H new ATOM 0 HE3 LYS A 34 -7.289 -11.488 0.519 1.00 2.23 H new ATOM 0 HZ1 LYS A 34 -8.133 -12.965 -1.235 1.00 2.82 H new ATOM 0 HZ2 LYS A 34 -9.249 -11.721 -0.930 1.00 2.82 H new ATOM 0 HZ3 LYS A 34 -8.260 -11.656 -2.309 1.00 2.82 H new ATOM 541 N GLN A 35 -4.645 -5.914 -1.378 1.00 0.36 N ATOM 542 CA GLN A 35 -3.433 -5.847 -2.247 1.00 0.40 C ATOM 543 C GLN A 35 -2.324 -5.116 -1.492 1.00 0.41 C ATOM 544 O GLN A 35 -1.167 -5.483 -1.539 1.00 0.40 O ATOM 545 CB GLN A 35 -3.862 -5.025 -3.467 1.00 0.47 C ATOM 546 CG GLN A 35 -2.876 -5.263 -4.615 1.00 0.56 C ATOM 547 CD GLN A 35 -3.429 -4.655 -5.908 1.00 1.04 C ATOM 548 OE1 GLN A 35 -4.600 -4.341 -5.998 1.00 1.73 O ATOM 549 NE2 GLN A 35 -2.630 -4.480 -6.924 1.00 1.71 N ATOM 0 H GLN A 35 -5.463 -5.429 -1.747 1.00 0.36 H new ATOM 0 HA GLN A 35 -3.062 -6.832 -2.531 1.00 0.40 H new ATOM 0 HB2 GLN A 35 -4.869 -5.308 -3.774 1.00 0.47 H new ATOM 0 HB3 GLN A 35 -3.892 -3.965 -3.213 1.00 0.47 H new ATOM 0 HG2 GLN A 35 -1.911 -4.817 -4.376 1.00 0.56 H new ATOM 0 HG3 GLN A 35 -2.709 -6.332 -4.747 1.00 0.56 H new ATOM 0 HE21 GLN A 35 -1.647 -4.743 -6.851 1.00 1.71 H new ATOM 0 HE22 GLN A 35 -2.988 -4.080 -7.792 1.00 1.71 H new ATOM 558 N LEU A 36 -2.691 -4.080 -0.787 1.00 0.47 N ATOM 559 CA LEU A 36 -1.691 -3.293 0.000 1.00 0.55 C ATOM 560 C LEU A 36 -1.015 -4.209 1.024 1.00 0.52 C ATOM 561 O LEU A 36 0.183 -4.154 1.226 1.00 0.53 O ATOM 562 CB LEU A 36 -2.529 -2.205 0.692 1.00 0.72 C ATOM 563 CG LEU A 36 -1.652 -1.108 1.323 1.00 0.59 C ATOM 564 CD1 LEU A 36 -0.887 -1.664 2.526 1.00 1.53 C ATOM 565 CD2 LEU A 36 -0.660 -0.555 0.291 1.00 1.26 C ATOM 0 H LEU A 36 -3.650 -3.740 -0.721 1.00 0.47 H new ATOM 0 HA LEU A 36 -0.896 -2.864 -0.610 1.00 0.55 H new ATOM 0 HB2 LEU A 36 -3.206 -1.754 -0.034 1.00 0.72 H new ATOM 0 HB3 LEU A 36 -3.148 -2.662 1.464 1.00 0.72 H new ATOM 0 HG LEU A 36 -2.303 -0.300 1.657 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -0.272 -0.877 2.961 1.00 1.53 H new ATOM 0 HD12 LEU A 36 -1.595 -2.025 3.272 1.00 1.53 H new ATOM 0 HD13 LEU A 36 -0.249 -2.487 2.203 1.00 1.53 H new ATOM 0 HD21 LEU A 36 -0.048 0.219 0.753 1.00 1.26 H new ATOM 0 HD22 LEU A 36 -0.018 -1.361 -0.065 1.00 1.26 H new ATOM 0 HD23 LEU A 36 -1.209 -0.130 -0.550 1.00 1.26 H new ATOM 577 N LEU A 37 -1.778 -5.060 1.659 1.00 0.51 N ATOM 578 CA LEU A 37 -1.189 -5.994 2.664 1.00 0.53 C ATOM 579 C LEU A 37 -0.138 -6.888 2.008 1.00 0.47 C ATOM 580 O LEU A 37 0.903 -7.149 2.579 1.00 0.48 O ATOM 581 CB LEU A 37 -2.364 -6.814 3.186 1.00 0.59 C ATOM 582 CG LEU A 37 -3.269 -5.917 4.039 1.00 0.75 C ATOM 583 CD1 LEU A 37 -4.576 -6.652 4.350 1.00 1.36 C ATOM 584 CD2 LEU A 37 -2.553 -5.564 5.354 1.00 1.24 C ATOM 0 H LEU A 37 -2.785 -5.149 1.525 1.00 0.51 H new ATOM 0 HA LEU A 37 -0.682 -5.466 3.472 1.00 0.53 H new ATOM 0 HB2 LEU A 37 -2.929 -7.233 2.353 1.00 0.59 H new ATOM 0 HB3 LEU A 37 -2.001 -7.653 3.779 1.00 0.59 H new ATOM 0 HG LEU A 37 -3.490 -5.002 3.490 1.00 0.75 H new ATOM 0 HD11 LEU A 37 -5.218 -6.013 4.956 1.00 1.36 H new ATOM 0 HD12 LEU A 37 -5.085 -6.898 3.418 1.00 1.36 H new ATOM 0 HD13 LEU A 37 -4.357 -7.569 4.897 1.00 1.36 H new ATOM 0 HD21 LEU A 37 -3.197 -4.926 5.959 1.00 1.24 H new ATOM 0 HD22 LEU A 37 -2.328 -6.479 5.903 1.00 1.24 H new ATOM 0 HD23 LEU A 37 -1.625 -5.037 5.133 1.00 1.24 H new ATOM 596 N SER A 38 -0.391 -7.348 0.809 1.00 0.41 N ATOM 597 CA SER A 38 0.616 -8.212 0.120 1.00 0.39 C ATOM 598 C SER A 38 1.910 -7.419 -0.093 1.00 0.37 C ATOM 599 O SER A 38 2.986 -7.982 -0.137 1.00 0.37 O ATOM 600 CB SER A 38 -0.012 -8.612 -1.217 1.00 0.42 C ATOM 601 OG SER A 38 0.070 -7.526 -2.127 1.00 1.31 O ATOM 0 H SER A 38 -1.244 -7.165 0.281 1.00 0.41 H new ATOM 0 HA SER A 38 0.870 -9.096 0.705 1.00 0.39 H new ATOM 0 HB2 SER A 38 0.503 -9.482 -1.626 1.00 0.42 H new ATOM 0 HB3 SER A 38 -1.053 -8.898 -1.070 1.00 0.42 H new ATOM 0 HG SER A 38 -0.689 -6.923 -1.986 1.00 1.31 H new ATOM 607 N LEU A 39 1.818 -6.111 -0.210 1.00 0.39 N ATOM 608 CA LEU A 39 3.057 -5.295 -0.402 1.00 0.43 C ATOM 609 C LEU A 39 3.904 -5.367 0.864 1.00 0.44 C ATOM 610 O LEU A 39 5.039 -5.807 0.837 1.00 0.42 O ATOM 611 CB LEU A 39 2.587 -3.853 -0.635 1.00 0.54 C ATOM 612 CG LEU A 39 1.655 -3.778 -1.851 1.00 0.57 C ATOM 613 CD1 LEU A 39 1.196 -2.327 -2.060 1.00 0.72 C ATOM 614 CD2 LEU A 39 2.399 -4.262 -3.102 1.00 0.61 C ATOM 0 H LEU A 39 0.947 -5.581 -0.181 1.00 0.39 H new ATOM 0 HA LEU A 39 3.657 -5.655 -1.238 1.00 0.43 H new ATOM 0 HB2 LEU A 39 2.068 -3.486 0.251 1.00 0.54 H new ATOM 0 HB3 LEU A 39 3.449 -3.205 -0.790 1.00 0.54 H new ATOM 0 HG LEU A 39 0.786 -4.413 -1.677 1.00 0.57 H new ATOM 0 HD11 LEU A 39 0.534 -2.276 -2.924 1.00 0.72 H new ATOM 0 HD12 LEU A 39 0.663 -1.983 -1.174 1.00 0.72 H new ATOM 0 HD13 LEU A 39 2.065 -1.691 -2.230 1.00 0.72 H new ATOM 0 HD21 LEU A 39 1.735 -4.208 -3.964 1.00 0.61 H new ATOM 0 HD22 LEU A 39 3.270 -3.630 -3.275 1.00 0.61 H new ATOM 0 HD23 LEU A 39 2.722 -5.293 -2.957 1.00 0.61 H new ATOM 626 N LYS A 40 3.351 -4.957 1.981 1.00 0.55 N ATOM 627 CA LYS A 40 4.115 -5.025 3.262 1.00 0.65 C ATOM 628 C LYS A 40 4.454 -6.483 3.564 1.00 0.60 C ATOM 629 O LYS A 40 5.506 -6.801 4.084 1.00 0.64 O ATOM 630 CB LYS A 40 3.188 -4.416 4.323 1.00 0.85 C ATOM 631 CG LYS A 40 1.926 -5.265 4.512 1.00 1.33 C ATOM 632 CD LYS A 40 1.095 -4.686 5.660 1.00 1.42 C ATOM 633 CE LYS A 40 0.465 -3.358 5.226 1.00 2.23 C ATOM 634 NZ LYS A 40 1.262 -2.305 5.918 1.00 2.38 N ATOM 0 H LYS A 40 2.406 -4.580 2.058 1.00 0.55 H new ATOM 0 HA LYS A 40 5.060 -4.483 3.229 1.00 0.65 H new ATOM 0 HB2 LYS A 40 3.720 -4.335 5.271 1.00 0.85 H new ATOM 0 HB3 LYS A 40 2.908 -3.405 4.027 1.00 0.85 H new ATOM 0 HG2 LYS A 40 1.340 -5.276 3.593 1.00 1.33 H new ATOM 0 HG3 LYS A 40 2.198 -6.298 4.729 1.00 1.33 H new ATOM 0 HD2 LYS A 40 0.316 -5.391 5.949 1.00 1.42 H new ATOM 0 HD3 LYS A 40 1.726 -4.531 6.536 1.00 1.42 H new ATOM 0 HE2 LYS A 40 0.507 -3.237 4.144 1.00 2.23 H new ATOM 0 HE3 LYS A 40 -0.586 -3.308 5.511 1.00 2.23 H new ATOM 0 HZ1 LYS A 40 1.255 -1.434 5.349 1.00 2.38 H new ATOM 0 HZ2 LYS A 40 0.846 -2.112 6.851 1.00 2.38 H new ATOM 0 HZ3 LYS A 40 2.242 -2.633 6.037 1.00 2.38 H new ATOM 648 N ALA A 41 3.555 -7.364 3.222 1.00 0.59 N ATOM 649 CA ALA A 41 3.789 -8.821 3.459 1.00 0.64 C ATOM 650 C ALA A 41 5.039 -9.279 2.703 1.00 0.59 C ATOM 651 O ALA A 41 5.918 -9.899 3.269 1.00 0.67 O ATOM 652 CB ALA A 41 2.548 -9.528 2.909 1.00 0.69 C ATOM 0 H ALA A 41 2.661 -7.138 2.785 1.00 0.59 H new ATOM 0 HA ALA A 41 3.946 -9.044 4.514 1.00 0.64 H new ATOM 0 HB1 ALA A 41 2.650 -10.604 3.049 1.00 0.69 H new ATOM 0 HB2 ALA A 41 1.663 -9.175 3.439 1.00 0.69 H new ATOM 0 HB3 ALA A 41 2.445 -9.309 1.846 1.00 0.69 H new ATOM 658 N GLU A 42 5.131 -8.964 1.433 1.00 0.52 N ATOM 659 CA GLU A 42 6.337 -9.369 0.646 1.00 0.59 C ATOM 660 C GLU A 42 7.572 -8.646 1.184 1.00 0.61 C ATOM 661 O GLU A 42 8.641 -9.217 1.293 1.00 0.73 O ATOM 662 CB GLU A 42 6.036 -8.966 -0.798 1.00 0.61 C ATOM 663 CG GLU A 42 4.957 -9.894 -1.361 1.00 0.68 C ATOM 664 CD GLU A 42 4.643 -9.504 -2.805 1.00 1.22 C ATOM 665 OE1 GLU A 42 5.301 -10.020 -3.694 1.00 1.79 O ATOM 666 OE2 GLU A 42 3.747 -8.699 -2.999 1.00 1.90 O ATOM 0 H GLU A 42 4.425 -8.446 0.910 1.00 0.52 H new ATOM 0 HA GLU A 42 6.544 -10.437 0.716 1.00 0.59 H new ATOM 0 HB2 GLU A 42 5.699 -7.930 -0.837 1.00 0.61 H new ATOM 0 HB3 GLU A 42 6.940 -9.030 -1.403 1.00 0.61 H new ATOM 0 HG2 GLU A 42 5.296 -10.929 -1.319 1.00 0.68 H new ATOM 0 HG3 GLU A 42 4.055 -9.830 -0.753 1.00 0.68 H new ATOM 673 N TYR A 43 7.425 -7.394 1.526 1.00 0.56 N ATOM 674 CA TYR A 43 8.580 -6.610 2.072 1.00 0.66 C ATOM 675 C TYR A 43 9.116 -7.282 3.343 1.00 0.73 C ATOM 676 O TYR A 43 10.310 -7.336 3.572 1.00 0.86 O ATOM 677 CB TYR A 43 8.004 -5.225 2.401 1.00 0.69 C ATOM 678 CG TYR A 43 8.925 -4.136 1.896 1.00 0.83 C ATOM 679 CD1 TYR A 43 9.397 -4.164 0.576 1.00 1.42 C ATOM 680 CD2 TYR A 43 9.294 -3.088 2.746 1.00 1.68 C ATOM 681 CE1 TYR A 43 10.240 -3.147 0.112 1.00 1.65 C ATOM 682 CE2 TYR A 43 10.135 -2.070 2.281 1.00 1.98 C ATOM 683 CZ TYR A 43 10.609 -2.099 0.964 1.00 1.59 C ATOM 684 OH TYR A 43 11.437 -1.093 0.507 1.00 2.03 O ATOM 0 H TYR A 43 6.551 -6.874 1.452 1.00 0.56 H new ATOM 0 HA TYR A 43 9.408 -6.549 1.366 1.00 0.66 H new ATOM 0 HB2 TYR A 43 7.019 -5.117 1.947 1.00 0.69 H new ATOM 0 HB3 TYR A 43 7.871 -5.126 3.478 1.00 0.69 H new ATOM 0 HD1 TYR A 43 9.110 -4.970 -0.083 1.00 1.42 H new ATOM 0 HD2 TYR A 43 8.930 -3.064 3.762 1.00 1.68 H new ATOM 0 HE1 TYR A 43 10.606 -3.171 -0.904 1.00 1.65 H new ATOM 0 HE2 TYR A 43 10.418 -1.262 2.939 1.00 1.98 H new ATOM 0 HH TYR A 43 11.354 -0.311 1.091 1.00 2.03 H new ATOM 694 N LYS A 44 8.235 -7.783 4.172 1.00 0.73 N ATOM 695 CA LYS A 44 8.676 -8.444 5.441 1.00 0.89 C ATOM 696 C LYS A 44 9.586 -9.642 5.150 1.00 0.98 C ATOM 697 O LYS A 44 10.560 -9.867 5.845 1.00 1.13 O ATOM 698 CB LYS A 44 7.388 -8.903 6.129 1.00 0.95 C ATOM 699 CG LYS A 44 6.685 -7.698 6.758 1.00 1.37 C ATOM 700 CD LYS A 44 7.363 -7.351 8.087 1.00 1.45 C ATOM 701 CE LYS A 44 6.911 -8.337 9.168 1.00 2.00 C ATOM 702 NZ LYS A 44 8.062 -8.425 10.111 1.00 2.12 N ATOM 0 H LYS A 44 7.226 -7.763 4.025 1.00 0.73 H new ATOM 0 HA LYS A 44 9.253 -7.763 6.067 1.00 0.89 H new ATOM 0 HB2 LYS A 44 6.729 -9.385 5.406 1.00 0.95 H new ATOM 0 HB3 LYS A 44 7.617 -9.644 6.895 1.00 0.95 H new ATOM 0 HG2 LYS A 44 6.727 -6.844 6.082 1.00 1.37 H new ATOM 0 HG3 LYS A 44 5.631 -7.923 6.922 1.00 1.37 H new ATOM 0 HD2 LYS A 44 8.447 -7.390 7.975 1.00 1.45 H new ATOM 0 HD3 LYS A 44 7.110 -6.332 8.381 1.00 1.45 H new ATOM 0 HE2 LYS A 44 6.012 -7.984 9.674 1.00 2.00 H new ATOM 0 HE3 LYS A 44 6.675 -9.311 8.740 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 7.830 -9.083 10.882 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 8.902 -8.769 9.603 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 8.259 -7.484 10.507 1.00 2.12 H new ATOM 716 N GLU A 45 9.277 -10.413 4.140 1.00 0.96 N ATOM 717 CA GLU A 45 10.126 -11.601 3.815 1.00 1.12 C ATOM 718 C GLU A 45 11.570 -11.187 3.522 1.00 1.23 C ATOM 719 O GLU A 45 12.498 -11.878 3.901 1.00 1.40 O ATOM 720 CB GLU A 45 9.494 -12.244 2.580 1.00 1.12 C ATOM 721 CG GLU A 45 8.359 -13.171 3.018 1.00 1.13 C ATOM 722 CD GLU A 45 7.072 -12.366 3.181 1.00 1.70 C ATOM 723 OE1 GLU A 45 6.430 -12.105 2.178 1.00 2.41 O ATOM 724 OE2 GLU A 45 6.747 -12.026 4.307 1.00 2.07 O ATOM 0 H GLU A 45 8.475 -10.273 3.526 1.00 0.96 H new ATOM 0 HA GLU A 45 10.166 -12.294 4.656 1.00 1.12 H new ATOM 0 HB2 GLU A 45 9.112 -11.474 1.910 1.00 1.12 H new ATOM 0 HB3 GLU A 45 10.244 -12.806 2.024 1.00 1.12 H new ATOM 0 HG2 GLU A 45 8.215 -13.960 2.280 1.00 1.13 H new ATOM 0 HG3 GLU A 45 8.616 -13.658 3.959 1.00 1.13 H new ATOM 731 N LYS A 46 11.776 -10.087 2.837 1.00 1.19 N ATOM 732 CA LYS A 46 13.176 -9.676 2.519 1.00 1.38 C ATOM 733 C LYS A 46 13.948 -9.337 3.801 1.00 1.48 C ATOM 734 O LYS A 46 14.953 -9.955 4.097 1.00 1.64 O ATOM 735 CB LYS A 46 13.053 -8.436 1.629 1.00 1.36 C ATOM 736 CG LYS A 46 12.485 -8.832 0.263 1.00 1.34 C ATOM 737 CD LYS A 46 12.383 -7.590 -0.627 1.00 1.84 C ATOM 738 CE LYS A 46 11.815 -7.979 -1.996 1.00 1.81 C ATOM 739 NZ LYS A 46 12.967 -8.553 -2.748 1.00 2.31 N ATOM 0 H LYS A 46 11.046 -9.466 2.490 1.00 1.19 H new ATOM 0 HA LYS A 46 13.722 -10.478 2.023 1.00 1.38 H new ATOM 0 HB2 LYS A 46 12.404 -7.700 2.103 1.00 1.36 H new ATOM 0 HB3 LYS A 46 14.029 -7.968 1.505 1.00 1.36 H new ATOM 0 HG2 LYS A 46 13.126 -9.578 -0.207 1.00 1.34 H new ATOM 0 HG3 LYS A 46 11.502 -9.287 0.384 1.00 1.34 H new ATOM 0 HD2 LYS A 46 11.742 -6.845 -0.155 1.00 1.84 H new ATOM 0 HD3 LYS A 46 13.366 -7.135 -0.747 1.00 1.84 H new ATOM 0 HE2 LYS A 46 11.009 -8.706 -1.896 1.00 1.81 H new ATOM 0 HE3 LYS A 46 11.401 -7.112 -2.511 1.00 1.81 H new ATOM 0 HZ1 LYS A 46 13.231 -7.910 -3.522 1.00 2.31 H new ATOM 0 HZ2 LYS A 46 13.776 -8.673 -2.105 1.00 2.31 H new ATOM 0 HZ3 LYS A 46 12.698 -9.477 -3.142 1.00 2.31 H new ATOM 753 N THR A 47 13.494 -8.367 4.564 1.00 1.46 N ATOM 754 CA THR A 47 14.230 -8.006 5.825 1.00 1.61 C ATOM 755 C THR A 47 13.347 -7.244 6.833 1.00 1.64 C ATOM 756 O THR A 47 13.858 -6.672 7.779 1.00 1.83 O ATOM 757 CB THR A 47 15.392 -7.110 5.370 1.00 1.71 C ATOM 758 OG1 THR A 47 14.996 -6.334 4.242 1.00 2.51 O ATOM 759 CG2 THR A 47 16.600 -7.976 5.001 1.00 1.98 C ATOM 0 H THR A 47 12.657 -7.816 4.373 1.00 1.46 H new ATOM 0 HA THR A 47 14.559 -8.907 6.342 1.00 1.61 H new ATOM 0 HB THR A 47 15.664 -6.440 6.186 1.00 1.71 H new ATOM 0 HG1 THR A 47 15.741 -5.764 3.959 1.00 2.51 H new ATOM 0 HG21 THR A 47 17.422 -7.336 4.679 1.00 1.98 H new ATOM 0 HG22 THR A 47 16.911 -8.556 5.870 1.00 1.98 H new ATOM 0 HG23 THR A 47 16.328 -8.653 4.191 1.00 1.98 H new ATOM 767 N GLY A 48 12.048 -7.202 6.644 1.00 1.53 N ATOM 768 CA GLY A 48 11.182 -6.441 7.601 1.00 1.65 C ATOM 769 C GLY A 48 11.512 -4.951 7.501 1.00 1.57 C ATOM 770 O GLY A 48 11.847 -4.316 8.483 1.00 1.86 O ATOM 0 H GLY A 48 11.554 -7.657 5.876 1.00 1.53 H new ATOM 0 HA2 GLY A 48 10.130 -6.609 7.371 1.00 1.65 H new ATOM 0 HA3 GLY A 48 11.346 -6.795 8.619 1.00 1.65 H new ATOM 774 N GLN A 49 11.435 -4.396 6.321 1.00 1.30 N ATOM 775 CA GLN A 49 11.765 -2.949 6.145 1.00 1.38 C ATOM 776 C GLN A 49 10.569 -2.050 6.491 1.00 1.33 C ATOM 777 O GLN A 49 10.752 -0.884 6.780 1.00 1.59 O ATOM 778 CB GLN A 49 12.135 -2.809 4.669 1.00 1.34 C ATOM 779 CG GLN A 49 13.480 -3.488 4.404 1.00 1.56 C ATOM 780 CD GLN A 49 13.802 -3.403 2.910 1.00 2.10 C ATOM 781 OE1 GLN A 49 12.915 -3.471 2.083 1.00 2.70 O ATOM 782 NE2 GLN A 49 15.040 -3.255 2.526 1.00 2.50 N ATOM 0 H GLN A 49 11.157 -4.882 5.469 1.00 1.30 H new ATOM 0 HA GLN A 49 12.572 -2.639 6.809 1.00 1.38 H new ATOM 0 HB2 GLN A 49 11.361 -3.259 4.047 1.00 1.34 H new ATOM 0 HB3 GLN A 49 12.190 -1.755 4.397 1.00 1.34 H new ATOM 0 HG2 GLN A 49 14.265 -3.005 4.985 1.00 1.56 H new ATOM 0 HG3 GLN A 49 13.443 -4.530 4.721 1.00 1.56 H new ATOM 0 HE21 GLN A 49 15.786 -3.198 3.220 1.00 2.50 H new ATOM 0 HE22 GLN A 49 15.262 -3.196 1.532 1.00 2.50 H new ATOM 791 N GLU A 50 9.357 -2.587 6.480 1.00 1.22 N ATOM 792 CA GLU A 50 8.109 -1.789 6.815 1.00 1.34 C ATOM 793 C GLU A 50 8.232 -0.298 6.441 1.00 1.37 C ATOM 794 O GLU A 50 8.613 0.529 7.247 1.00 1.68 O ATOM 795 CB GLU A 50 7.892 -1.970 8.327 1.00 1.52 C ATOM 796 CG GLU A 50 9.162 -1.628 9.123 1.00 1.63 C ATOM 797 CD GLU A 50 8.880 -1.787 10.618 1.00 1.95 C ATOM 798 OE1 GLU A 50 8.273 -0.893 11.185 1.00 2.32 O ATOM 799 OE2 GLU A 50 9.276 -2.800 11.170 1.00 2.37 O ATOM 0 H GLU A 50 9.176 -3.564 6.249 1.00 1.22 H new ATOM 0 HA GLU A 50 7.260 -2.150 6.235 1.00 1.34 H new ATOM 0 HB2 GLU A 50 7.072 -1.332 8.657 1.00 1.52 H new ATOM 0 HB3 GLU A 50 7.598 -2.999 8.533 1.00 1.52 H new ATOM 0 HG2 GLU A 50 9.980 -2.283 8.824 1.00 1.63 H new ATOM 0 HG3 GLU A 50 9.476 -0.607 8.907 1.00 1.63 H new ATOM 806 N TYR A 51 7.929 0.035 5.213 1.00 1.36 N ATOM 807 CA TYR A 51 8.047 1.457 4.760 1.00 1.46 C ATOM 808 C TYR A 51 7.218 2.397 5.652 1.00 1.37 C ATOM 809 O TYR A 51 6.186 2.024 6.176 1.00 1.51 O ATOM 810 CB TYR A 51 7.527 1.465 3.313 1.00 1.76 C ATOM 811 CG TYR A 51 6.070 1.052 3.274 1.00 1.54 C ATOM 812 CD1 TYR A 51 5.071 2.018 3.429 1.00 1.93 C ATOM 813 CD2 TYR A 51 5.719 -0.290 3.076 1.00 2.01 C ATOM 814 CE1 TYR A 51 3.723 1.647 3.389 1.00 2.22 C ATOM 815 CE2 TYR A 51 4.369 -0.662 3.036 1.00 2.28 C ATOM 816 CZ TYR A 51 3.370 0.308 3.193 1.00 2.18 C ATOM 817 OH TYR A 51 2.039 -0.056 3.152 1.00 2.77 O ATOM 0 H TYR A 51 7.603 -0.618 4.500 1.00 1.36 H new ATOM 0 HA TYR A 51 9.074 1.816 4.823 1.00 1.46 H new ATOM 0 HB2 TYR A 51 7.641 2.461 2.884 1.00 1.76 H new ATOM 0 HB3 TYR A 51 8.121 0.785 2.702 1.00 1.76 H new ATOM 0 HD1 TYR A 51 5.341 3.053 3.580 1.00 1.93 H new ATOM 0 HD2 TYR A 51 6.489 -1.037 2.954 1.00 2.01 H new ATOM 0 HE1 TYR A 51 2.954 2.395 3.510 1.00 2.22 H new ATOM 0 HE2 TYR A 51 4.098 -1.696 2.884 1.00 2.28 H new ATOM 0 HH TYR A 51 1.969 -1.023 3.007 1.00 2.77 H new