USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=5 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 6 TYR OH : rot 30:sc= 0.413 USER MOD Set 1.2: A 43 TYR OH : rot 136:sc= 1.13 USER MOD Set 2.1: A 12 GLN : amide:sc= -0.0629 X(o=-0.09,f=-0.31) USER MOD Set 2.2: A 35 GLN : amide:sc= -0.0271 K(o=-0.09,f=-1.7!) USER MOD Single : A 7 ASN : amide:sc= -0.0026 K(o=-0.0026,f=-1.6!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -50:sc= 1.02 USER MOD Single : A 49 GLN : amide:sc= -0.794 X(o=-0.79,f=-0.95) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.0522 USER MOD ----------------------------------------------------------------- ATOM 25 N LEU A 3 14.186 2.793 -5.325 1.00 0.82 N ATOM 26 CA LEU A 3 13.173 3.893 -5.417 1.00 0.75 C ATOM 27 C LEU A 3 11.895 3.368 -6.077 1.00 0.60 C ATOM 28 O LEU A 3 10.792 3.647 -5.645 1.00 0.55 O ATOM 29 CB LEU A 3 13.831 4.946 -6.313 1.00 0.85 C ATOM 30 CG LEU A 3 12.922 6.169 -6.453 1.00 1.06 C ATOM 31 CD1 LEU A 3 12.993 7.005 -5.174 1.00 1.23 C ATOM 32 CD2 LEU A 3 13.391 7.013 -7.640 1.00 1.69 C ATOM 0 HA LEU A 3 12.896 4.291 -4.441 1.00 0.75 H new ATOM 0 HB2 LEU A 3 14.790 5.244 -5.890 1.00 0.85 H new ATOM 0 HB3 LEU A 3 14.034 4.521 -7.296 1.00 0.85 H new ATOM 0 HG LEU A 3 11.895 5.845 -6.618 1.00 1.06 H new ATOM 0 HD11 LEU A 3 12.346 7.877 -5.273 1.00 1.23 H new ATOM 0 HD12 LEU A 3 12.664 6.403 -4.327 1.00 1.23 H new ATOM 0 HD13 LEU A 3 14.020 7.332 -5.010 1.00 1.23 H new ATOM 0 HD21 LEU A 3 12.746 7.886 -7.743 1.00 1.69 H new ATOM 0 HD22 LEU A 3 14.418 7.338 -7.472 1.00 1.69 H new ATOM 0 HD23 LEU A 3 13.344 6.417 -8.551 1.00 1.69 H new ATOM 44 N VAL A 4 12.053 2.622 -7.136 1.00 0.64 N ATOM 45 CA VAL A 4 10.867 2.071 -7.870 1.00 0.67 C ATOM 46 C VAL A 4 10.016 1.173 -6.955 1.00 0.58 C ATOM 47 O VAL A 4 8.800 1.222 -6.994 1.00 0.52 O ATOM 48 CB VAL A 4 11.462 1.258 -9.033 1.00 0.91 C ATOM 49 CG1 VAL A 4 10.348 0.555 -9.822 1.00 1.52 C ATOM 50 CG2 VAL A 4 12.219 2.199 -9.972 1.00 1.37 C ATOM 0 H VAL A 4 12.958 2.366 -7.531 1.00 0.64 H new ATOM 0 HA VAL A 4 10.203 2.862 -8.219 1.00 0.67 H new ATOM 0 HB VAL A 4 12.138 0.507 -8.626 1.00 0.91 H new ATOM 0 HG11 VAL A 4 10.786 -0.015 -10.641 1.00 1.52 H new ATOM 0 HG12 VAL A 4 9.804 -0.119 -9.161 1.00 1.52 H new ATOM 0 HG13 VAL A 4 9.662 1.300 -10.225 1.00 1.52 H new ATOM 0 HG21 VAL A 4 12.642 1.626 -10.797 1.00 1.37 H new ATOM 0 HG22 VAL A 4 11.533 2.950 -10.365 1.00 1.37 H new ATOM 0 HG23 VAL A 4 13.022 2.692 -9.424 1.00 1.37 H new ATOM 60 N LEU A 5 10.640 0.343 -6.152 1.00 0.62 N ATOM 61 CA LEU A 5 9.856 -0.570 -5.256 1.00 0.61 C ATOM 62 C LEU A 5 8.973 0.251 -4.307 1.00 0.46 C ATOM 63 O LEU A 5 7.794 -0.014 -4.154 1.00 0.41 O ATOM 64 CB LEU A 5 10.900 -1.372 -4.472 1.00 0.77 C ATOM 65 CG LEU A 5 10.196 -2.350 -3.524 1.00 1.13 C ATOM 66 CD1 LEU A 5 9.533 -3.464 -4.340 1.00 1.92 C ATOM 67 CD2 LEU A 5 11.223 -2.958 -2.565 1.00 1.49 C ATOM 0 H LEU A 5 11.654 0.258 -6.078 1.00 0.62 H new ATOM 0 HA LEU A 5 9.192 -1.225 -5.819 1.00 0.61 H new ATOM 0 HB2 LEU A 5 11.545 -1.918 -5.160 1.00 0.77 H new ATOM 0 HB3 LEU A 5 11.540 -0.697 -3.904 1.00 0.77 H new ATOM 0 HG LEU A 5 9.435 -1.819 -2.952 1.00 1.13 H new ATOM 0 HD11 LEU A 5 9.032 -4.160 -3.667 1.00 1.92 H new ATOM 0 HD12 LEU A 5 8.802 -3.030 -5.022 1.00 1.92 H new ATOM 0 HD13 LEU A 5 10.292 -3.997 -4.913 1.00 1.92 H new ATOM 0 HD21 LEU A 5 10.724 -3.654 -1.890 1.00 1.49 H new ATOM 0 HD22 LEU A 5 11.984 -3.490 -3.136 1.00 1.49 H new ATOM 0 HD23 LEU A 5 11.693 -2.164 -1.985 1.00 1.49 H new ATOM 79 N TYR A 6 9.538 1.249 -3.675 1.00 0.44 N ATOM 80 CA TYR A 6 8.742 2.104 -2.736 1.00 0.41 C ATOM 81 C TYR A 6 7.548 2.723 -3.461 1.00 0.32 C ATOM 82 O TYR A 6 6.473 2.859 -2.909 1.00 0.35 O ATOM 83 CB TYR A 6 9.691 3.214 -2.288 1.00 0.54 C ATOM 84 CG TYR A 6 10.409 2.808 -1.028 1.00 1.20 C ATOM 85 CD1 TYR A 6 9.730 2.817 0.195 1.00 1.81 C ATOM 86 CD2 TYR A 6 11.756 2.442 -1.081 1.00 2.14 C ATOM 87 CE1 TYR A 6 10.400 2.456 1.369 1.00 2.57 C ATOM 88 CE2 TYR A 6 12.428 2.084 0.092 1.00 2.94 C ATOM 89 CZ TYR A 6 11.750 2.090 1.318 1.00 2.97 C ATOM 90 OH TYR A 6 12.415 1.739 2.476 1.00 3.87 O ATOM 0 H TYR A 6 10.519 1.511 -3.768 1.00 0.44 H new ATOM 0 HA TYR A 6 8.357 1.522 -1.898 1.00 0.41 H new ATOM 0 HB2 TYR A 6 10.414 3.424 -3.076 1.00 0.54 H new ATOM 0 HB3 TYR A 6 9.131 4.133 -2.116 1.00 0.54 H new ATOM 0 HD1 TYR A 6 8.689 3.102 0.233 1.00 1.81 H new ATOM 0 HD2 TYR A 6 12.278 2.436 -2.027 1.00 2.14 H new ATOM 0 HE1 TYR A 6 9.876 2.460 2.313 1.00 2.57 H new ATOM 0 HE2 TYR A 6 13.470 1.803 0.053 1.00 2.94 H new ATOM 0 HH TYR A 6 11.782 1.340 3.109 1.00 3.87 H new ATOM 100 N ASN A 7 7.738 3.116 -4.690 1.00 0.33 N ATOM 101 CA ASN A 7 6.621 3.744 -5.456 1.00 0.39 C ATOM 102 C ASN A 7 5.440 2.776 -5.576 1.00 0.35 C ATOM 103 O ASN A 7 4.295 3.171 -5.473 1.00 0.39 O ATOM 104 CB ASN A 7 7.207 4.050 -6.834 1.00 0.53 C ATOM 105 CG ASN A 7 8.226 5.189 -6.717 1.00 0.61 C ATOM 106 OD1 ASN A 7 8.208 5.943 -5.764 1.00 1.12 O ATOM 107 ND2 ASN A 7 9.123 5.347 -7.652 1.00 1.35 N ATOM 0 H ASN A 7 8.618 3.030 -5.199 1.00 0.33 H new ATOM 0 HA ASN A 7 6.242 4.640 -4.965 1.00 0.39 H new ATOM 0 HB2 ASN A 7 7.686 3.160 -7.243 1.00 0.53 H new ATOM 0 HB3 ASN A 7 6.412 4.329 -7.525 1.00 0.53 H new ATOM 0 HD21 ASN A 7 9.806 6.101 -7.581 1.00 1.35 H new ATOM 0 HD22 ASN A 7 9.141 4.716 -8.453 1.00 1.35 H new ATOM 114 N ARG A 8 5.710 1.515 -5.799 1.00 0.35 N ATOM 115 CA ARG A 8 4.600 0.523 -5.933 1.00 0.40 C ATOM 116 C ARG A 8 3.755 0.475 -4.656 1.00 0.33 C ATOM 117 O ARG A 8 2.540 0.539 -4.715 1.00 0.37 O ATOM 118 CB ARG A 8 5.286 -0.820 -6.187 1.00 0.48 C ATOM 119 CG ARG A 8 5.942 -0.804 -7.571 1.00 1.09 C ATOM 120 CD ARG A 8 4.859 -0.856 -8.652 1.00 1.30 C ATOM 121 NE ARG A 8 5.570 -0.600 -9.935 1.00 1.95 N ATOM 122 CZ ARG A 8 4.883 -0.370 -11.016 1.00 2.36 C ATOM 123 NH1 ARG A 8 4.284 -1.356 -11.623 1.00 2.93 N ATOM 124 NH2 ARG A 8 4.791 0.846 -11.487 1.00 2.85 N ATOM 0 H ARG A 8 6.650 1.130 -5.894 1.00 0.35 H new ATOM 0 HA ARG A 8 3.917 0.785 -6.741 1.00 0.40 H new ATOM 0 HB2 ARG A 8 6.036 -1.008 -5.419 1.00 0.48 H new ATOM 0 HB3 ARG A 8 4.558 -1.629 -6.127 1.00 0.48 H new ATOM 0 HG2 ARG A 8 6.545 0.096 -7.689 1.00 1.09 H new ATOM 0 HG3 ARG A 8 6.616 -1.655 -7.675 1.00 1.09 H new ATOM 0 HD2 ARG A 8 4.362 -1.826 -8.665 1.00 1.30 H new ATOM 0 HD3 ARG A 8 4.089 -0.106 -8.473 1.00 1.30 H new ATOM 0 HE ARG A 8 6.590 -0.605 -9.966 1.00 1.95 H new ATOM 0 HH11 ARG A 8 4.355 -2.303 -11.250 1.00 2.93 H new ATOM 0 HH12 ARG A 8 3.744 -1.181 -12.471 1.00 2.93 H new ATOM 0 HH21 ARG A 8 5.258 1.615 -11.007 1.00 2.85 H new ATOM 0 HH22 ARG A 8 4.252 1.025 -12.334 1.00 2.85 H new ATOM 138 N VAL A 9 4.377 0.363 -3.503 1.00 0.29 N ATOM 139 CA VAL A 9 3.577 0.316 -2.241 1.00 0.32 C ATOM 140 C VAL A 9 2.868 1.658 -2.028 1.00 0.29 C ATOM 141 O VAL A 9 1.721 1.705 -1.623 1.00 0.32 O ATOM 142 CB VAL A 9 4.562 0.003 -1.097 1.00 0.41 C ATOM 143 CG1 VAL A 9 5.133 -1.404 -1.286 1.00 0.79 C ATOM 144 CG2 VAL A 9 5.720 1.008 -1.063 1.00 1.07 C ATOM 0 H VAL A 9 5.388 0.303 -3.385 1.00 0.29 H new ATOM 0 HA VAL A 9 2.803 -0.450 -2.281 1.00 0.32 H new ATOM 0 HB VAL A 9 4.016 0.071 -0.156 1.00 0.41 H new ATOM 0 HG11 VAL A 9 5.829 -1.626 -0.477 1.00 0.79 H new ATOM 0 HG12 VAL A 9 4.321 -2.131 -1.275 1.00 0.79 H new ATOM 0 HG13 VAL A 9 5.656 -1.459 -2.241 1.00 0.79 H new ATOM 0 HG21 VAL A 9 6.395 0.758 -0.245 1.00 1.07 H new ATOM 0 HG22 VAL A 9 6.264 0.969 -2.007 1.00 1.07 H new ATOM 0 HG23 VAL A 9 5.325 2.013 -0.913 1.00 1.07 H new ATOM 154 N ALA A 10 3.536 2.745 -2.316 1.00 0.28 N ATOM 155 CA ALA A 10 2.903 4.092 -2.154 1.00 0.34 C ATOM 156 C ALA A 10 1.698 4.237 -3.092 1.00 0.33 C ATOM 157 O ALA A 10 0.680 4.797 -2.732 1.00 0.36 O ATOM 158 CB ALA A 10 3.993 5.100 -2.525 1.00 0.42 C ATOM 0 H ALA A 10 4.497 2.760 -2.658 1.00 0.28 H new ATOM 0 HA ALA A 10 2.535 4.246 -1.140 1.00 0.34 H new ATOM 0 HB1 ALA A 10 3.600 6.112 -2.429 1.00 0.42 H new ATOM 0 HB2 ALA A 10 4.845 4.977 -1.857 1.00 0.42 H new ATOM 0 HB3 ALA A 10 4.311 4.930 -3.554 1.00 0.42 H new ATOM 164 N VAL A 11 1.824 3.751 -4.301 1.00 0.35 N ATOM 165 CA VAL A 11 0.706 3.871 -5.289 1.00 0.42 C ATOM 166 C VAL A 11 -0.554 3.156 -4.776 1.00 0.41 C ATOM 167 O VAL A 11 -1.650 3.672 -4.901 1.00 0.41 O ATOM 168 CB VAL A 11 1.247 3.227 -6.579 1.00 0.52 C ATOM 169 CG1 VAL A 11 0.130 3.087 -7.623 1.00 0.93 C ATOM 170 CG2 VAL A 11 2.359 4.114 -7.148 1.00 0.95 C ATOM 0 H VAL A 11 2.656 3.274 -4.649 1.00 0.35 H new ATOM 0 HA VAL A 11 0.407 4.906 -5.457 1.00 0.42 H new ATOM 0 HB VAL A 11 1.633 2.235 -6.345 1.00 0.52 H new ATOM 0 HG11 VAL A 11 0.532 2.630 -8.527 1.00 0.93 H new ATOM 0 HG12 VAL A 11 -0.666 2.459 -7.222 1.00 0.93 H new ATOM 0 HG13 VAL A 11 -0.270 4.072 -7.862 1.00 0.93 H new ATOM 0 HG21 VAL A 11 2.749 3.667 -8.062 1.00 0.95 H new ATOM 0 HG22 VAL A 11 1.958 5.103 -7.370 1.00 0.95 H new ATOM 0 HG23 VAL A 11 3.162 4.204 -6.417 1.00 0.95 H new ATOM 180 N GLN A 12 -0.418 1.980 -4.207 1.00 0.41 N ATOM 181 CA GLN A 12 -1.629 1.259 -3.701 1.00 0.43 C ATOM 182 C GLN A 12 -2.283 2.084 -2.584 1.00 0.39 C ATOM 183 O GLN A 12 -3.455 2.395 -2.646 1.00 0.41 O ATOM 184 CB GLN A 12 -1.114 -0.078 -3.161 1.00 0.49 C ATOM 185 CG GLN A 12 -2.252 -1.105 -3.147 1.00 0.95 C ATOM 186 CD GLN A 12 -2.488 -1.619 -4.572 1.00 1.11 C ATOM 187 OE1 GLN A 12 -1.593 -2.160 -5.189 1.00 1.61 O ATOM 188 NE2 GLN A 12 -3.662 -1.476 -5.124 1.00 1.84 N ATOM 0 H GLN A 12 0.469 1.494 -4.073 1.00 0.41 H new ATOM 0 HA GLN A 12 -2.380 1.107 -4.476 1.00 0.43 H new ATOM 0 HB2 GLN A 12 -0.293 -0.439 -3.781 1.00 0.49 H new ATOM 0 HB3 GLN A 12 -0.719 0.054 -2.154 1.00 0.49 H new ATOM 0 HG2 GLN A 12 -2.001 -1.934 -2.486 1.00 0.95 H new ATOM 0 HG3 GLN A 12 -3.163 -0.651 -2.756 1.00 0.95 H new ATOM 0 HE21 GLN A 12 -4.416 -1.022 -4.609 1.00 1.84 H new ATOM 0 HE22 GLN A 12 -3.825 -1.818 -6.071 1.00 1.84 H new ATOM 197 N GLY A 13 -1.527 2.401 -1.547 1.00 0.36 N ATOM 198 CA GLY A 13 -2.055 3.180 -0.363 1.00 0.36 C ATOM 199 C GLY A 13 -3.046 4.265 -0.823 1.00 0.34 C ATOM 200 O GLY A 13 -4.159 4.358 -0.344 1.00 0.34 O ATOM 0 H GLY A 13 -0.542 2.146 -1.470 1.00 0.36 H new ATOM 0 HA2 GLY A 13 -2.548 2.502 0.334 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -1.226 3.642 0.174 1.00 0.36 H new ATOM 204 N ASP A 14 -2.624 5.077 -1.754 1.00 0.35 N ATOM 205 CA ASP A 14 -3.500 6.168 -2.280 1.00 0.36 C ATOM 206 C ASP A 14 -4.758 5.592 -2.934 1.00 0.33 C ATOM 207 O ASP A 14 -5.834 6.150 -2.818 1.00 0.34 O ATOM 208 CB ASP A 14 -2.647 6.904 -3.319 1.00 0.42 C ATOM 209 CG ASP A 14 -1.560 7.722 -2.614 1.00 0.48 C ATOM 210 OD1 ASP A 14 -1.805 8.168 -1.505 1.00 1.00 O ATOM 211 OD2 ASP A 14 -0.500 7.888 -3.195 1.00 1.12 O ATOM 0 H ASP A 14 -1.698 5.032 -2.179 1.00 0.35 H new ATOM 0 HA ASP A 14 -3.839 6.830 -1.483 1.00 0.36 H new ATOM 0 HB2 ASP A 14 -2.190 6.187 -4.001 1.00 0.42 H new ATOM 0 HB3 ASP A 14 -3.276 7.560 -3.920 1.00 0.42 H new ATOM 216 N VAL A 15 -4.632 4.494 -3.640 1.00 0.34 N ATOM 217 CA VAL A 15 -5.827 3.904 -4.320 1.00 0.35 C ATOM 218 C VAL A 15 -6.901 3.548 -3.281 1.00 0.33 C ATOM 219 O VAL A 15 -8.076 3.774 -3.507 1.00 0.32 O ATOM 220 CB VAL A 15 -5.312 2.655 -5.049 1.00 0.40 C ATOM 221 CG1 VAL A 15 -6.481 1.916 -5.708 1.00 0.45 C ATOM 222 CG2 VAL A 15 -4.310 3.074 -6.129 1.00 0.46 C ATOM 0 H VAL A 15 -3.759 3.984 -3.774 1.00 0.34 H new ATOM 0 HA VAL A 15 -6.291 4.599 -5.020 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.828 1.996 -4.329 1.00 0.40 H new ATOM 0 HG11 VAL A 15 -6.108 1.031 -6.223 1.00 0.45 H new ATOM 0 HG12 VAL A 15 -7.198 1.616 -4.944 1.00 0.45 H new ATOM 0 HG13 VAL A 15 -6.970 2.575 -6.426 1.00 0.45 H new ATOM 0 HG21 VAL A 15 -3.943 2.189 -6.648 1.00 0.46 H new ATOM 0 HG22 VAL A 15 -4.800 3.736 -6.843 1.00 0.46 H new ATOM 0 HG23 VAL A 15 -3.473 3.596 -5.666 1.00 0.46 H new ATOM 232 N VAL A 16 -6.519 3.016 -2.136 1.00 0.34 N ATOM 233 CA VAL A 16 -7.545 2.684 -1.093 1.00 0.35 C ATOM 234 C VAL A 16 -8.280 3.972 -0.694 1.00 0.33 C ATOM 235 O VAL A 16 -9.495 4.032 -0.677 1.00 0.33 O ATOM 236 CB VAL A 16 -6.757 2.118 0.104 1.00 0.41 C ATOM 237 CG1 VAL A 16 -7.691 1.930 1.314 1.00 0.70 C ATOM 238 CG2 VAL A 16 -6.143 0.769 -0.278 1.00 0.60 C ATOM 0 H VAL A 16 -5.554 2.801 -1.884 1.00 0.34 H new ATOM 0 HA VAL A 16 -8.286 1.967 -1.446 1.00 0.35 H new ATOM 0 HB VAL A 16 -5.966 2.820 0.370 1.00 0.41 H new ATOM 0 HG11 VAL A 16 -7.123 1.530 2.154 1.00 0.70 H new ATOM 0 HG12 VAL A 16 -8.122 2.891 1.593 1.00 0.70 H new ATOM 0 HG13 VAL A 16 -8.490 1.236 1.053 1.00 0.70 H new ATOM 0 HG21 VAL A 16 -5.586 0.370 0.570 1.00 0.60 H new ATOM 0 HG22 VAL A 16 -6.936 0.073 -0.552 1.00 0.60 H new ATOM 0 HG23 VAL A 16 -5.469 0.902 -1.124 1.00 0.60 H new ATOM 248 N ARG A 17 -7.533 5.001 -0.385 1.00 0.34 N ATOM 249 CA ARG A 17 -8.156 6.302 0.005 1.00 0.36 C ATOM 250 C ARG A 17 -9.027 6.833 -1.136 1.00 0.32 C ATOM 251 O ARG A 17 -10.131 7.298 -0.928 1.00 0.33 O ATOM 252 CB ARG A 17 -6.977 7.246 0.260 1.00 0.41 C ATOM 253 CG ARG A 17 -7.497 8.592 0.765 1.00 1.01 C ATOM 254 CD ARG A 17 -6.314 9.469 1.179 1.00 1.36 C ATOM 255 NE ARG A 17 -6.914 10.794 1.493 1.00 1.99 N ATOM 256 CZ ARG A 17 -6.870 11.754 0.610 1.00 2.51 C ATOM 257 NH1 ARG A 17 -5.725 12.285 0.281 1.00 2.93 N ATOM 258 NH2 ARG A 17 -7.969 12.179 0.052 1.00 3.15 N ATOM 0 H ARG A 17 -6.513 4.996 -0.386 1.00 0.34 H new ATOM 0 HA ARG A 17 -8.799 6.206 0.880 1.00 0.36 H new ATOM 0 HB2 ARG A 17 -6.300 6.808 0.993 1.00 0.41 H new ATOM 0 HB3 ARG A 17 -6.406 7.387 -0.658 1.00 0.41 H new ATOM 0 HG2 ARG A 17 -8.076 9.087 -0.015 1.00 1.01 H new ATOM 0 HG3 ARG A 17 -8.167 8.441 1.612 1.00 1.01 H new ATOM 0 HD2 ARG A 17 -5.798 9.054 2.044 1.00 1.36 H new ATOM 0 HD3 ARG A 17 -5.580 9.547 0.377 1.00 1.36 H new ATOM 0 HE ARG A 17 -7.359 10.952 2.397 1.00 1.99 H new ATOM 0 HH11 ARG A 17 -4.864 11.950 0.714 1.00 2.93 H new ATOM 0 HH12 ARG A 17 -5.690 13.035 -0.409 1.00 2.93 H new ATOM 0 HH21 ARG A 17 -8.864 11.761 0.305 1.00 3.15 H new ATOM 0 HH22 ARG A 17 -7.934 12.929 -0.638 1.00 3.15 H new ATOM 272 N GLU A 18 -8.521 6.770 -2.341 1.00 0.32 N ATOM 273 CA GLU A 18 -9.290 7.274 -3.520 1.00 0.33 C ATOM 274 C GLU A 18 -10.607 6.517 -3.670 1.00 0.30 C ATOM 275 O GLU A 18 -11.656 7.108 -3.843 1.00 0.35 O ATOM 276 CB GLU A 18 -8.391 7.002 -4.725 1.00 0.39 C ATOM 277 CG GLU A 18 -9.059 7.538 -5.998 1.00 1.06 C ATOM 278 CD GLU A 18 -8.167 7.276 -7.221 1.00 1.56 C ATOM 279 OE1 GLU A 18 -7.025 6.880 -7.038 1.00 2.23 O ATOM 280 OE2 GLU A 18 -8.645 7.479 -8.324 1.00 2.12 O ATOM 0 H GLU A 18 -7.601 6.388 -2.561 1.00 0.32 H new ATOM 0 HA GLU A 18 -9.541 8.330 -3.417 1.00 0.33 H new ATOM 0 HB2 GLU A 18 -7.421 7.479 -4.583 1.00 0.39 H new ATOM 0 HB3 GLU A 18 -8.209 5.932 -4.821 1.00 0.39 H new ATOM 0 HG2 GLU A 18 -10.028 7.059 -6.137 1.00 1.06 H new ATOM 0 HG3 GLU A 18 -9.244 8.607 -5.897 1.00 1.06 H new ATOM 287 N LEU A 19 -10.554 5.212 -3.612 1.00 0.28 N ATOM 288 CA LEU A 19 -11.805 4.404 -3.760 1.00 0.32 C ATOM 289 C LEU A 19 -12.799 4.771 -2.663 1.00 0.36 C ATOM 290 O LEU A 19 -13.969 4.991 -2.915 1.00 0.42 O ATOM 291 CB LEU A 19 -11.373 2.949 -3.615 1.00 0.34 C ATOM 292 CG LEU A 19 -10.595 2.508 -4.856 1.00 0.43 C ATOM 293 CD1 LEU A 19 -9.959 1.143 -4.598 1.00 1.02 C ATOM 294 CD2 LEU A 19 -11.551 2.400 -6.046 1.00 0.69 C ATOM 0 H LEU A 19 -9.702 4.670 -3.469 1.00 0.28 H new ATOM 0 HA LEU A 19 -12.295 4.586 -4.717 1.00 0.32 H new ATOM 0 HB2 LEU A 19 -10.753 2.832 -2.726 1.00 0.34 H new ATOM 0 HB3 LEU A 19 -12.248 2.313 -3.479 1.00 0.34 H new ATOM 0 HG LEU A 19 -9.818 3.240 -5.075 1.00 0.43 H new ATOM 0 HD11 LEU A 19 -9.404 0.827 -5.482 1.00 1.02 H new ATOM 0 HD12 LEU A 19 -9.280 1.213 -3.749 1.00 1.02 H new ATOM 0 HD13 LEU A 19 -10.739 0.414 -4.380 1.00 1.02 H new ATOM 0 HD21 LEU A 19 -10.997 2.086 -6.931 1.00 0.69 H new ATOM 0 HD22 LEU A 19 -12.327 1.667 -5.824 1.00 0.69 H new ATOM 0 HD23 LEU A 19 -12.011 3.370 -6.232 1.00 0.69 H new ATOM 306 N LYS A 20 -12.330 4.853 -1.452 1.00 0.39 N ATOM 307 CA LYS A 20 -13.218 5.223 -0.322 1.00 0.51 C ATOM 308 C LYS A 20 -13.671 6.663 -0.518 1.00 0.57 C ATOM 309 O LYS A 20 -14.818 7.005 -0.306 1.00 0.67 O ATOM 310 CB LYS A 20 -12.363 5.066 0.936 1.00 0.59 C ATOM 311 CG LYS A 20 -13.275 4.914 2.150 1.00 0.84 C ATOM 312 CD LYS A 20 -13.971 3.551 2.083 1.00 1.09 C ATOM 313 CE LYS A 20 -14.632 3.245 3.429 1.00 1.44 C ATOM 314 NZ LYS A 20 -15.692 2.244 3.123 1.00 2.08 N ATOM 0 H LYS A 20 -11.359 4.677 -1.196 1.00 0.39 H new ATOM 0 HA LYS A 20 -14.113 4.605 -0.252 1.00 0.51 H new ATOM 0 HB2 LYS A 20 -11.715 4.195 0.843 1.00 0.59 H new ATOM 0 HB3 LYS A 20 -11.715 5.934 1.060 1.00 0.59 H new ATOM 0 HG2 LYS A 20 -12.695 4.996 3.069 1.00 0.84 H new ATOM 0 HG3 LYS A 20 -14.015 5.714 2.168 1.00 0.84 H new ATOM 0 HD2 LYS A 20 -14.720 3.552 1.291 1.00 1.09 H new ATOM 0 HD3 LYS A 20 -13.248 2.774 1.837 1.00 1.09 H new ATOM 0 HE2 LYS A 20 -13.909 2.848 4.142 1.00 1.44 H new ATOM 0 HE3 LYS A 20 -15.057 4.145 3.873 1.00 1.44 H new ATOM 0 HZ1 LYS A 20 -16.189 1.986 3.999 1.00 2.08 H new ATOM 0 HZ2 LYS A 20 -16.370 2.652 2.448 1.00 2.08 H new ATOM 0 HZ3 LYS A 20 -15.258 1.395 2.708 1.00 2.08 H new ATOM 328 N ALA A 21 -12.769 7.502 -0.962 1.00 0.55 N ATOM 329 CA ALA A 21 -13.124 8.928 -1.226 1.00 0.67 C ATOM 330 C ALA A 21 -14.198 8.972 -2.315 1.00 0.69 C ATOM 331 O ALA A 21 -15.043 9.847 -2.338 1.00 0.81 O ATOM 332 CB ALA A 21 -11.831 9.586 -1.715 1.00 0.67 C ATOM 0 H ALA A 21 -11.797 7.258 -1.154 1.00 0.55 H new ATOM 0 HA ALA A 21 -13.516 9.439 -0.347 1.00 0.67 H new ATOM 0 HB1 ALA A 21 -12.017 10.638 -1.929 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -11.066 9.502 -0.943 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -11.489 9.086 -2.621 1.00 0.67 H new ATOM 338 N LYS A 22 -14.172 8.008 -3.206 1.00 0.62 N ATOM 339 CA LYS A 22 -15.195 7.954 -4.292 1.00 0.71 C ATOM 340 C LYS A 22 -16.466 7.228 -3.813 1.00 0.74 C ATOM 341 O LYS A 22 -17.327 6.907 -4.607 1.00 0.81 O ATOM 342 CB LYS A 22 -14.527 7.192 -5.440 1.00 0.73 C ATOM 343 CG LYS A 22 -13.450 8.075 -6.078 1.00 1.07 C ATOM 344 CD LYS A 22 -12.718 7.293 -7.171 1.00 1.07 C ATOM 345 CE LYS A 22 -13.653 7.081 -8.362 1.00 1.91 C ATOM 346 NZ LYS A 22 -12.802 6.441 -9.403 1.00 2.11 N ATOM 0 H LYS A 22 -13.483 7.256 -3.225 1.00 0.62 H new ATOM 0 HA LYS A 22 -15.511 8.950 -4.600 1.00 0.71 H new ATOM 0 HB2 LYS A 22 -14.083 6.269 -5.068 1.00 0.73 H new ATOM 0 HB3 LYS A 22 -15.271 6.910 -6.186 1.00 0.73 H new ATOM 0 HG2 LYS A 22 -13.905 8.970 -6.502 1.00 1.07 H new ATOM 0 HG3 LYS A 22 -12.742 8.406 -5.319 1.00 1.07 H new ATOM 0 HD2 LYS A 22 -11.827 7.836 -7.487 1.00 1.07 H new ATOM 0 HD3 LYS A 22 -12.383 6.331 -6.782 1.00 1.07 H new ATOM 0 HE2 LYS A 22 -14.497 6.445 -8.094 1.00 1.91 H new ATOM 0 HE3 LYS A 22 -14.066 8.026 -8.714 1.00 1.91 H new ATOM 0 HZ1 LYS A 22 -13.371 6.262 -10.255 1.00 2.11 H new ATOM 0 HZ2 LYS A 22 -12.011 7.073 -9.641 1.00 2.11 H new ATOM 0 HZ3 LYS A 22 -12.429 5.540 -9.041 1.00 2.11 H new ATOM 360 N LYS A 23 -16.586 6.960 -2.524 1.00 0.72 N ATOM 361 CA LYS A 23 -17.801 6.257 -1.982 1.00 0.79 C ATOM 362 C LYS A 23 -17.970 4.876 -2.617 1.00 0.77 C ATOM 363 O LYS A 23 -19.043 4.304 -2.597 1.00 0.85 O ATOM 364 CB LYS A 23 -18.998 7.149 -2.314 1.00 0.91 C ATOM 365 CG LYS A 23 -18.831 8.507 -1.626 1.00 0.97 C ATOM 366 CD LYS A 23 -20.044 9.394 -1.923 1.00 1.26 C ATOM 367 CE LYS A 23 -20.009 9.835 -3.387 1.00 1.53 C ATOM 368 NZ LYS A 23 -20.908 11.020 -3.448 1.00 2.28 N ATOM 0 H LYS A 23 -15.887 7.202 -1.822 1.00 0.72 H new ATOM 0 HA LYS A 23 -17.708 6.097 -0.908 1.00 0.79 H new ATOM 0 HB2 LYS A 23 -19.076 7.283 -3.393 1.00 0.91 H new ATOM 0 HB3 LYS A 23 -19.922 6.674 -1.984 1.00 0.91 H new ATOM 0 HG2 LYS A 23 -18.725 8.369 -0.550 1.00 0.97 H new ATOM 0 HG3 LYS A 23 -17.920 8.992 -1.976 1.00 0.97 H new ATOM 0 HD2 LYS A 23 -20.965 8.848 -1.719 1.00 1.26 H new ATOM 0 HD3 LYS A 23 -20.038 10.266 -1.269 1.00 1.26 H new ATOM 0 HE2 LYS A 23 -18.996 10.090 -3.699 1.00 1.53 H new ATOM 0 HE3 LYS A 23 -20.356 9.041 -4.048 1.00 1.53 H new ATOM 0 HZ1 LYS A 23 -20.938 11.383 -4.422 1.00 2.28 H new ATOM 0 HZ2 LYS A 23 -21.866 10.745 -3.151 1.00 2.28 H new ATOM 0 HZ3 LYS A 23 -20.549 11.761 -2.813 1.00 2.28 H new ATOM 382 N ALA A 24 -16.919 4.337 -3.172 1.00 0.68 N ATOM 383 CA ALA A 24 -17.009 2.983 -3.805 1.00 0.70 C ATOM 384 C ALA A 24 -17.451 1.942 -2.759 1.00 0.71 C ATOM 385 O ALA A 24 -17.421 2.216 -1.575 1.00 0.71 O ATOM 386 CB ALA A 24 -15.598 2.677 -4.313 1.00 0.62 C ATOM 0 H ALA A 24 -15.998 4.774 -3.216 1.00 0.68 H new ATOM 0 HA ALA A 24 -17.739 2.953 -4.614 1.00 0.70 H new ATOM 0 HB1 ALA A 24 -15.588 1.697 -4.790 1.00 0.62 H new ATOM 0 HB2 ALA A 24 -15.299 3.436 -5.036 1.00 0.62 H new ATOM 0 HB3 ALA A 24 -14.901 2.680 -3.475 1.00 0.62 H new ATOM 392 N PRO A 25 -17.862 0.781 -3.222 1.00 0.77 N ATOM 393 CA PRO A 25 -18.325 -0.284 -2.291 1.00 0.82 C ATOM 394 C PRO A 25 -17.156 -0.875 -1.493 1.00 0.71 C ATOM 395 O PRO A 25 -16.008 -0.760 -1.877 1.00 0.60 O ATOM 396 CB PRO A 25 -18.924 -1.337 -3.220 1.00 0.93 C ATOM 397 CG PRO A 25 -18.243 -1.123 -4.534 1.00 0.91 C ATOM 398 CD PRO A 25 -17.936 0.346 -4.628 1.00 0.84 C ATOM 0 HA PRO A 25 -19.032 0.089 -1.550 1.00 0.82 H new ATOM 0 HB2 PRO A 25 -18.746 -2.344 -2.842 1.00 0.93 H new ATOM 0 HB3 PRO A 25 -20.004 -1.216 -3.310 1.00 0.93 H new ATOM 0 HG2 PRO A 25 -17.329 -1.714 -4.597 1.00 0.91 H new ATOM 0 HG3 PRO A 25 -18.884 -1.438 -5.358 1.00 0.91 H new ATOM 0 HD2 PRO A 25 -16.997 0.526 -5.152 1.00 0.84 H new ATOM 0 HD3 PRO A 25 -18.713 0.883 -5.172 1.00 0.84 H new ATOM 406 N LYS A 26 -17.450 -1.520 -0.387 1.00 0.76 N ATOM 407 CA LYS A 26 -16.369 -2.142 0.445 1.00 0.68 C ATOM 408 C LYS A 26 -15.533 -3.114 -0.401 1.00 0.60 C ATOM 409 O LYS A 26 -14.378 -3.365 -0.115 1.00 0.52 O ATOM 410 CB LYS A 26 -17.100 -2.878 1.575 1.00 0.82 C ATOM 411 CG LYS A 26 -17.680 -1.852 2.556 1.00 0.93 C ATOM 412 CD LYS A 26 -18.620 -2.546 3.548 1.00 1.22 C ATOM 413 CE LYS A 26 -17.814 -3.470 4.467 1.00 1.61 C ATOM 414 NZ LYS A 26 -18.527 -3.434 5.776 1.00 2.00 N ATOM 0 H LYS A 26 -18.395 -1.643 -0.024 1.00 0.76 H new ATOM 0 HA LYS A 26 -15.674 -1.400 0.838 1.00 0.68 H new ATOM 0 HB2 LYS A 26 -17.898 -3.497 1.165 1.00 0.82 H new ATOM 0 HB3 LYS A 26 -16.413 -3.546 2.094 1.00 0.82 H new ATOM 0 HG2 LYS A 26 -16.873 -1.355 3.094 1.00 0.93 H new ATOM 0 HG3 LYS A 26 -18.221 -1.080 2.009 1.00 0.93 H new ATOM 0 HD2 LYS A 26 -19.152 -1.802 4.141 1.00 1.22 H new ATOM 0 HD3 LYS A 26 -19.373 -3.121 3.009 1.00 1.22 H new ATOM 0 HE2 LYS A 26 -17.772 -4.484 4.069 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -16.785 -3.125 4.569 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -18.032 -4.044 6.458 1.00 2.00 H new ATOM 0 HZ2 LYS A 26 -18.545 -2.458 6.135 1.00 2.00 H new ATOM 0 HZ3 LYS A 26 -19.502 -3.775 5.650 1.00 2.00 H new ATOM 428 N GLU A 27 -16.106 -3.658 -1.446 1.00 0.66 N ATOM 429 CA GLU A 27 -15.336 -4.600 -2.318 1.00 0.65 C ATOM 430 C GLU A 27 -14.111 -3.886 -2.907 1.00 0.56 C ATOM 431 O GLU A 27 -13.040 -4.455 -3.005 1.00 0.55 O ATOM 432 CB GLU A 27 -16.304 -5.031 -3.420 1.00 0.78 C ATOM 433 CG GLU A 27 -17.379 -5.934 -2.815 1.00 1.25 C ATOM 434 CD GLU A 27 -18.471 -6.198 -3.852 1.00 1.61 C ATOM 435 OE1 GLU A 27 -19.413 -5.425 -3.900 1.00 2.22 O ATOM 436 OE2 GLU A 27 -18.346 -7.168 -4.581 1.00 2.08 O ATOM 0 H GLU A 27 -17.071 -3.492 -1.733 1.00 0.66 H new ATOM 0 HA GLU A 27 -14.965 -5.462 -1.764 1.00 0.65 H new ATOM 0 HB2 GLU A 27 -16.763 -4.156 -3.881 1.00 0.78 H new ATOM 0 HB3 GLU A 27 -15.767 -5.561 -4.207 1.00 0.78 H new ATOM 0 HG2 GLU A 27 -16.937 -6.876 -2.490 1.00 1.25 H new ATOM 0 HG3 GLU A 27 -17.809 -5.463 -1.931 1.00 1.25 H new ATOM 443 N ASP A 28 -14.264 -2.645 -3.299 1.00 0.53 N ATOM 444 CA ASP A 28 -13.110 -1.890 -3.885 1.00 0.49 C ATOM 445 C ASP A 28 -12.053 -1.571 -2.823 1.00 0.39 C ATOM 446 O ASP A 28 -10.875 -1.805 -3.027 1.00 0.36 O ATOM 447 CB ASP A 28 -13.712 -0.585 -4.412 1.00 0.52 C ATOM 448 CG ASP A 28 -14.309 -0.801 -5.810 1.00 0.68 C ATOM 449 OD1 ASP A 28 -13.975 -1.795 -6.439 1.00 1.46 O ATOM 450 OD2 ASP A 28 -15.088 0.038 -6.232 1.00 1.05 O ATOM 0 H ASP A 28 -15.137 -2.121 -3.239 1.00 0.53 H new ATOM 0 HA ASP A 28 -12.614 -2.474 -4.660 1.00 0.49 H new ATOM 0 HB2 ASP A 28 -14.485 -0.231 -3.730 1.00 0.52 H new ATOM 0 HB3 ASP A 28 -12.944 0.188 -4.452 1.00 0.52 H new ATOM 455 N VAL A 29 -12.457 -1.026 -1.701 1.00 0.37 N ATOM 456 CA VAL A 29 -11.463 -0.677 -0.640 1.00 0.32 C ATOM 457 C VAL A 29 -10.806 -1.948 -0.091 1.00 0.29 C ATOM 458 O VAL A 29 -9.607 -2.002 0.112 1.00 0.27 O ATOM 459 CB VAL A 29 -12.265 0.080 0.441 1.00 0.38 C ATOM 460 CG1 VAL A 29 -13.155 -0.865 1.249 1.00 0.57 C ATOM 461 CG2 VAL A 29 -11.298 0.796 1.384 1.00 0.65 C ATOM 0 H VAL A 29 -13.428 -0.809 -1.475 1.00 0.37 H new ATOM 0 HA VAL A 29 -10.648 -0.059 -1.016 1.00 0.32 H new ATOM 0 HB VAL A 29 -12.908 0.802 -0.062 1.00 0.38 H new ATOM 0 HG11 VAL A 29 -13.703 -0.296 1.999 1.00 0.57 H new ATOM 0 HG12 VAL A 29 -13.861 -1.360 0.582 1.00 0.57 H new ATOM 0 HG13 VAL A 29 -12.536 -1.614 1.743 1.00 0.57 H new ATOM 0 HG21 VAL A 29 -11.863 1.331 2.147 1.00 0.65 H new ATOM 0 HG22 VAL A 29 -10.646 0.064 1.861 1.00 0.65 H new ATOM 0 HG23 VAL A 29 -10.694 1.504 0.817 1.00 0.65 H new ATOM 471 N ASP A 30 -11.589 -2.963 0.145 1.00 0.34 N ATOM 472 CA ASP A 30 -11.028 -4.241 0.679 1.00 0.37 C ATOM 473 C ASP A 30 -9.991 -4.825 -0.286 1.00 0.34 C ATOM 474 O ASP A 30 -8.955 -5.315 0.122 1.00 0.34 O ATOM 475 CB ASP A 30 -12.230 -5.182 0.803 1.00 0.45 C ATOM 476 CG ASP A 30 -13.148 -4.713 1.939 1.00 0.51 C ATOM 477 OD1 ASP A 30 -12.682 -3.977 2.796 1.00 1.33 O ATOM 478 OD2 ASP A 30 -14.304 -5.102 1.935 1.00 1.02 O ATOM 0 H ASP A 30 -12.597 -2.965 -0.009 1.00 0.34 H new ATOM 0 HA ASP A 30 -10.520 -4.093 1.632 1.00 0.37 H new ATOM 0 HB2 ASP A 30 -12.783 -5.205 -0.136 1.00 0.45 H new ATOM 0 HB3 ASP A 30 -11.888 -6.199 0.997 1.00 0.45 H new ATOM 483 N ALA A 31 -10.269 -4.782 -1.564 1.00 0.36 N ATOM 484 CA ALA A 31 -9.307 -5.339 -2.564 1.00 0.38 C ATOM 485 C ALA A 31 -7.983 -4.577 -2.526 1.00 0.33 C ATOM 486 O ALA A 31 -6.920 -5.165 -2.455 1.00 0.36 O ATOM 487 CB ALA A 31 -9.984 -5.163 -3.923 1.00 0.46 C ATOM 0 H ALA A 31 -11.121 -4.385 -1.959 1.00 0.36 H new ATOM 0 HA ALA A 31 -9.074 -6.384 -2.357 1.00 0.38 H new ATOM 0 HB1 ALA A 31 -9.333 -5.551 -4.707 1.00 0.46 H new ATOM 0 HB2 ALA A 31 -10.928 -5.708 -3.932 1.00 0.46 H new ATOM 0 HB3 ALA A 31 -10.174 -4.104 -4.100 1.00 0.46 H new ATOM 493 N ALA A 32 -8.046 -3.273 -2.585 1.00 0.32 N ATOM 494 CA ALA A 32 -6.792 -2.458 -2.567 1.00 0.34 C ATOM 495 C ALA A 32 -6.078 -2.611 -1.223 1.00 0.31 C ATOM 496 O ALA A 32 -4.870 -2.756 -1.176 1.00 0.36 O ATOM 497 CB ALA A 32 -7.247 -1.014 -2.786 1.00 0.39 C ATOM 0 H ALA A 32 -8.911 -2.735 -2.645 1.00 0.32 H new ATOM 0 HA ALA A 32 -6.084 -2.774 -3.333 1.00 0.34 H new ATOM 0 HB1 ALA A 32 -6.379 -0.355 -2.785 1.00 0.39 H new ATOM 0 HB2 ALA A 32 -7.761 -0.936 -3.744 1.00 0.39 H new ATOM 0 HB3 ALA A 32 -7.926 -0.721 -1.985 1.00 0.39 H new ATOM 503 N VAL A 33 -6.810 -2.610 -0.132 1.00 0.26 N ATOM 504 CA VAL A 33 -6.152 -2.791 1.197 1.00 0.29 C ATOM 505 C VAL A 33 -5.600 -4.222 1.245 1.00 0.31 C ATOM 506 O VAL A 33 -4.506 -4.462 1.719 1.00 0.35 O ATOM 507 CB VAL A 33 -7.246 -2.484 2.262 1.00 0.31 C ATOM 508 CG1 VAL A 33 -8.016 -3.733 2.722 1.00 0.55 C ATOM 509 CG2 VAL A 33 -6.585 -1.842 3.482 1.00 0.57 C ATOM 0 H VAL A 33 -7.823 -2.493 -0.107 1.00 0.26 H new ATOM 0 HA VAL A 33 -5.307 -2.128 1.385 1.00 0.29 H new ATOM 0 HB VAL A 33 -7.966 -1.814 1.792 1.00 0.31 H new ATOM 0 HG11 VAL A 33 -8.762 -3.448 3.464 1.00 0.55 H new ATOM 0 HG12 VAL A 33 -8.512 -4.191 1.866 1.00 0.55 H new ATOM 0 HG13 VAL A 33 -7.321 -4.447 3.163 1.00 0.55 H new ATOM 0 HG21 VAL A 33 -7.343 -1.623 4.234 1.00 0.57 H new ATOM 0 HG22 VAL A 33 -5.848 -2.528 3.899 1.00 0.57 H new ATOM 0 HG23 VAL A 33 -6.092 -0.917 3.184 1.00 0.57 H new ATOM 519 N LYS A 34 -6.339 -5.169 0.705 1.00 0.30 N ATOM 520 CA LYS A 34 -5.842 -6.578 0.662 1.00 0.34 C ATOM 521 C LYS A 34 -4.544 -6.606 -0.146 1.00 0.35 C ATOM 522 O LYS A 34 -3.550 -7.178 0.260 1.00 0.38 O ATOM 523 CB LYS A 34 -6.940 -7.384 -0.039 1.00 0.35 C ATOM 524 CG LYS A 34 -6.538 -8.859 -0.083 1.00 1.04 C ATOM 525 CD LYS A 34 -7.634 -9.670 -0.778 1.00 1.51 C ATOM 526 CE LYS A 34 -7.236 -11.147 -0.807 1.00 2.23 C ATOM 527 NZ LYS A 34 -8.496 -11.879 -1.118 1.00 2.82 N ATOM 0 H LYS A 34 -7.261 -5.023 0.295 1.00 0.30 H new ATOM 0 HA LYS A 34 -5.635 -6.989 1.650 1.00 0.34 H new ATOM 0 HB2 LYS A 34 -7.885 -7.269 0.491 1.00 0.35 H new ATOM 0 HB3 LYS A 34 -7.094 -7.007 -1.050 1.00 0.35 H new ATOM 0 HG2 LYS A 34 -5.594 -8.973 -0.616 1.00 1.04 H new ATOM 0 HG3 LYS A 34 -6.380 -9.234 0.928 1.00 1.04 H new ATOM 0 HD2 LYS A 34 -8.581 -9.548 -0.252 1.00 1.51 H new ATOM 0 HD3 LYS A 34 -7.784 -9.303 -1.793 1.00 1.51 H new ATOM 0 HE2 LYS A 34 -6.473 -11.336 -1.562 1.00 2.23 H new ATOM 0 HE3 LYS A 34 -6.822 -11.463 0.150 1.00 2.23 H new ATOM 0 HZ1 LYS A 34 -8.304 -12.900 -1.155 1.00 2.82 H new ATOM 0 HZ2 LYS A 34 -9.201 -11.686 -0.378 1.00 2.82 H new ATOM 0 HZ3 LYS A 34 -8.863 -11.562 -2.038 1.00 2.82 H new ATOM 541 N GLN A 35 -4.551 -5.951 -1.284 1.00 0.36 N ATOM 542 CA GLN A 35 -3.322 -5.887 -2.127 1.00 0.40 C ATOM 543 C GLN A 35 -2.251 -5.129 -1.347 1.00 0.41 C ATOM 544 O GLN A 35 -1.091 -5.485 -1.333 1.00 0.40 O ATOM 545 CB GLN A 35 -3.725 -5.085 -3.373 1.00 0.47 C ATOM 546 CG GLN A 35 -2.734 -5.372 -4.506 1.00 0.56 C ATOM 547 CD GLN A 35 -3.268 -4.807 -5.828 1.00 1.04 C ATOM 548 OE1 GLN A 35 -4.403 -4.378 -5.909 1.00 1.73 O ATOM 549 NE2 GLN A 35 -2.492 -4.795 -6.878 1.00 1.71 N ATOM 0 H GLN A 35 -5.359 -5.458 -1.663 1.00 0.36 H new ATOM 0 HA GLN A 35 -2.934 -6.870 -2.394 1.00 0.40 H new ATOM 0 HB2 GLN A 35 -4.735 -5.355 -3.682 1.00 0.47 H new ATOM 0 HB3 GLN A 35 -3.735 -4.019 -3.145 1.00 0.47 H new ATOM 0 HG2 GLN A 35 -1.767 -4.926 -4.275 1.00 0.56 H new ATOM 0 HG3 GLN A 35 -2.576 -6.447 -4.598 1.00 0.56 H new ATOM 0 HE21 GLN A 35 -1.540 -5.154 -6.812 1.00 1.71 H new ATOM 0 HE22 GLN A 35 -2.838 -4.426 -7.764 1.00 1.71 H new ATOM 558 N LEU A 36 -2.667 -4.082 -0.689 1.00 0.47 N ATOM 559 CA LEU A 36 -1.731 -3.254 0.126 1.00 0.55 C ATOM 560 C LEU A 36 -1.084 -4.107 1.225 1.00 0.52 C ATOM 561 O LEU A 36 0.094 -3.985 1.495 1.00 0.53 O ATOM 562 CB LEU A 36 -2.616 -2.133 0.694 1.00 0.72 C ATOM 563 CG LEU A 36 -1.880 -1.302 1.754 1.00 0.59 C ATOM 564 CD1 LEU A 36 -0.517 -0.825 1.235 1.00 1.53 C ATOM 565 CD2 LEU A 36 -2.727 -0.079 2.104 1.00 1.26 C ATOM 0 H LEU A 36 -3.634 -3.759 -0.681 1.00 0.47 H new ATOM 0 HA LEU A 36 -0.899 -2.848 -0.449 1.00 0.55 H new ATOM 0 HB2 LEU A 36 -2.941 -1.481 -0.117 1.00 0.72 H new ATOM 0 HB3 LEU A 36 -3.514 -2.567 1.133 1.00 0.72 H new ATOM 0 HG LEU A 36 -1.720 -1.928 2.632 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -0.018 -0.239 2.007 1.00 1.53 H new ATOM 0 HD12 LEU A 36 0.098 -1.688 0.981 1.00 1.53 H new ATOM 0 HD13 LEU A 36 -0.661 -0.208 0.348 1.00 1.53 H new ATOM 0 HD21 LEU A 36 -2.211 0.517 2.857 1.00 1.26 H new ATOM 0 HD22 LEU A 36 -2.884 0.523 1.209 1.00 1.26 H new ATOM 0 HD23 LEU A 36 -3.691 -0.404 2.496 1.00 1.26 H new ATOM 577 N LEU A 37 -1.838 -4.978 1.851 1.00 0.51 N ATOM 578 CA LEU A 37 -1.248 -5.846 2.918 1.00 0.53 C ATOM 579 C LEU A 37 -0.121 -6.693 2.329 1.00 0.47 C ATOM 580 O LEU A 37 0.915 -6.878 2.939 1.00 0.48 O ATOM 581 CB LEU A 37 -2.389 -6.723 3.420 1.00 0.59 C ATOM 582 CG LEU A 37 -3.357 -5.875 4.245 1.00 0.75 C ATOM 583 CD1 LEU A 37 -4.627 -6.679 4.545 1.00 1.36 C ATOM 584 CD2 LEU A 37 -2.670 -5.482 5.554 1.00 1.24 C ATOM 0 H LEU A 37 -2.831 -5.125 1.671 1.00 0.51 H new ATOM 0 HA LEU A 37 -0.819 -5.263 3.733 1.00 0.53 H new ATOM 0 HB2 LEU A 37 -2.912 -7.176 2.578 1.00 0.59 H new ATOM 0 HB3 LEU A 37 -1.995 -7.539 4.026 1.00 0.59 H new ATOM 0 HG LEU A 37 -3.633 -4.980 3.688 1.00 0.75 H new ATOM 0 HD11 LEU A 37 -5.313 -6.070 5.133 1.00 1.36 H new ATOM 0 HD12 LEU A 37 -5.107 -6.964 3.609 1.00 1.36 H new ATOM 0 HD13 LEU A 37 -4.366 -7.576 5.107 1.00 1.36 H new ATOM 0 HD21 LEU A 37 -3.349 -4.876 6.154 1.00 1.24 H new ATOM 0 HD22 LEU A 37 -2.401 -6.381 6.108 1.00 1.24 H new ATOM 0 HD23 LEU A 37 -1.770 -4.908 5.334 1.00 1.24 H new ATOM 596 N SER A 38 -0.307 -7.191 1.136 1.00 0.41 N ATOM 597 CA SER A 38 0.766 -8.000 0.486 1.00 0.39 C ATOM 598 C SER A 38 2.026 -7.139 0.327 1.00 0.37 C ATOM 599 O SER A 38 3.136 -7.613 0.463 1.00 0.37 O ATOM 600 CB SER A 38 0.214 -8.408 -0.881 1.00 0.42 C ATOM 601 OG SER A 38 -0.914 -9.254 -0.699 1.00 1.31 O ATOM 0 H SER A 38 -1.156 -7.073 0.583 1.00 0.41 H new ATOM 0 HA SER A 38 1.037 -8.876 1.075 1.00 0.39 H new ATOM 0 HB2 SER A 38 -0.069 -7.523 -1.451 1.00 0.42 H new ATOM 0 HB3 SER A 38 0.982 -8.925 -1.456 1.00 0.42 H new ATOM 0 HG SER A 38 -1.271 -9.516 -1.573 1.00 1.31 H new ATOM 607 N LEU A 39 1.849 -5.873 0.029 1.00 0.39 N ATOM 608 CA LEU A 39 3.028 -4.967 -0.154 1.00 0.43 C ATOM 609 C LEU A 39 3.862 -4.911 1.126 1.00 0.44 C ATOM 610 O LEU A 39 5.042 -5.213 1.108 1.00 0.42 O ATOM 611 CB LEU A 39 2.441 -3.584 -0.473 1.00 0.54 C ATOM 612 CG LEU A 39 1.591 -3.649 -1.753 1.00 0.57 C ATOM 613 CD1 LEU A 39 0.990 -2.271 -2.051 1.00 0.72 C ATOM 614 CD2 LEU A 39 2.458 -4.093 -2.937 1.00 0.61 C ATOM 0 H LEU A 39 0.939 -5.428 -0.095 1.00 0.39 H new ATOM 0 HA LEU A 39 3.687 -5.318 -0.948 1.00 0.43 H new ATOM 0 HB2 LEU A 39 1.830 -3.239 0.361 1.00 0.54 H new ATOM 0 HB3 LEU A 39 3.246 -2.860 -0.599 1.00 0.54 H new ATOM 0 HG LEU A 39 0.787 -4.370 -1.604 1.00 0.57 H new ATOM 0 HD11 LEU A 39 0.389 -2.325 -2.959 1.00 0.72 H new ATOM 0 HD12 LEU A 39 0.360 -1.961 -1.217 1.00 0.72 H new ATOM 0 HD13 LEU A 39 1.792 -1.546 -2.189 1.00 0.72 H new ATOM 0 HD21 LEU A 39 1.848 -4.136 -3.839 1.00 0.61 H new ATOM 0 HD22 LEU A 39 3.269 -3.380 -3.082 1.00 0.61 H new ATOM 0 HD23 LEU A 39 2.874 -5.079 -2.733 1.00 0.61 H new ATOM 626 N LYS A 40 3.266 -4.549 2.241 1.00 0.55 N ATOM 627 CA LYS A 40 4.048 -4.507 3.515 1.00 0.65 C ATOM 628 C LYS A 40 4.553 -5.909 3.841 1.00 0.60 C ATOM 629 O LYS A 40 5.638 -6.093 4.360 1.00 0.64 O ATOM 630 CB LYS A 40 3.083 -4.004 4.595 1.00 0.85 C ATOM 631 CG LYS A 40 1.880 -4.940 4.745 1.00 1.33 C ATOM 632 CD LYS A 40 1.002 -4.449 5.897 1.00 1.42 C ATOM 633 CE LYS A 40 1.469 -5.084 7.213 1.00 2.23 C ATOM 634 NZ LYS A 40 0.461 -4.652 8.223 1.00 2.38 N ATOM 0 H LYS A 40 2.284 -4.284 2.321 1.00 0.55 H new ATOM 0 HA LYS A 40 4.917 -3.852 3.445 1.00 0.65 H new ATOM 0 HB2 LYS A 40 3.608 -3.927 5.547 1.00 0.85 H new ATOM 0 HB3 LYS A 40 2.738 -3.002 4.339 1.00 0.85 H new ATOM 0 HG2 LYS A 40 1.306 -4.965 3.819 1.00 1.33 H new ATOM 0 HG3 LYS A 40 2.218 -5.958 4.938 1.00 1.33 H new ATOM 0 HD2 LYS A 40 1.054 -3.363 5.968 1.00 1.42 H new ATOM 0 HD3 LYS A 40 -0.040 -4.707 5.708 1.00 1.42 H new ATOM 0 HE2 LYS A 40 1.510 -6.170 7.135 1.00 2.23 H new ATOM 0 HE3 LYS A 40 2.469 -4.745 7.483 1.00 2.23 H new ATOM 0 HZ1 LYS A 40 0.710 -5.046 9.153 1.00 2.38 H new ATOM 0 HZ2 LYS A 40 0.449 -3.614 8.279 1.00 2.38 H new ATOM 0 HZ3 LYS A 40 -0.480 -4.994 7.943 1.00 2.38 H new ATOM 648 N ALA A 41 3.755 -6.891 3.535 1.00 0.59 N ATOM 649 CA ALA A 41 4.147 -8.304 3.814 1.00 0.64 C ATOM 650 C ALA A 41 5.426 -8.667 3.050 1.00 0.59 C ATOM 651 O ALA A 41 6.323 -9.273 3.603 1.00 0.67 O ATOM 652 CB ALA A 41 2.964 -9.155 3.342 1.00 0.69 C ATOM 0 H ALA A 41 2.840 -6.777 3.100 1.00 0.59 H new ATOM 0 HA ALA A 41 4.361 -8.468 4.870 1.00 0.64 H new ATOM 0 HB1 ALA A 41 3.181 -10.209 3.516 1.00 0.69 H new ATOM 0 HB2 ALA A 41 2.069 -8.873 3.896 1.00 0.69 H new ATOM 0 HB3 ALA A 41 2.799 -8.990 2.277 1.00 0.69 H new ATOM 658 N GLU A 42 5.534 -8.289 1.791 1.00 0.52 N ATOM 659 CA GLU A 42 6.780 -8.615 1.022 1.00 0.59 C ATOM 660 C GLU A 42 7.982 -7.971 1.713 1.00 0.61 C ATOM 661 O GLU A 42 8.982 -8.614 1.958 1.00 0.73 O ATOM 662 CB GLU A 42 6.572 -8.019 -0.375 1.00 0.61 C ATOM 663 CG GLU A 42 5.512 -8.833 -1.130 1.00 0.68 C ATOM 664 CD GLU A 42 5.147 -8.143 -2.456 1.00 1.22 C ATOM 665 OE1 GLU A 42 5.657 -7.062 -2.714 1.00 1.79 O ATOM 666 OE2 GLU A 42 4.361 -8.714 -3.194 1.00 1.90 O ATOM 0 H GLU A 42 4.822 -7.776 1.271 1.00 0.52 H new ATOM 0 HA GLU A 42 6.968 -9.687 0.966 1.00 0.59 H new ATOM 0 HB2 GLU A 42 6.257 -6.979 -0.294 1.00 0.61 H new ATOM 0 HB3 GLU A 42 7.512 -8.025 -0.928 1.00 0.61 H new ATOM 0 HG2 GLU A 42 5.888 -9.837 -1.327 1.00 0.68 H new ATOM 0 HG3 GLU A 42 4.621 -8.942 -0.512 1.00 0.68 H new ATOM 673 N TYR A 43 7.875 -6.715 2.061 1.00 0.56 N ATOM 674 CA TYR A 43 8.995 -6.033 2.779 1.00 0.66 C ATOM 675 C TYR A 43 9.242 -6.748 4.117 1.00 0.73 C ATOM 676 O TYR A 43 10.366 -6.920 4.549 1.00 0.86 O ATOM 677 CB TYR A 43 8.522 -4.586 2.995 1.00 0.69 C ATOM 678 CG TYR A 43 9.617 -3.627 2.581 1.00 0.83 C ATOM 679 CD1 TYR A 43 10.184 -3.724 1.302 1.00 1.42 C ATOM 680 CD2 TYR A 43 10.064 -2.644 3.470 1.00 1.68 C ATOM 681 CE1 TYR A 43 11.196 -2.839 0.914 1.00 1.65 C ATOM 682 CE2 TYR A 43 11.078 -1.759 3.082 1.00 1.98 C ATOM 683 CZ TYR A 43 11.643 -1.857 1.805 1.00 1.59 C ATOM 684 OH TYR A 43 12.646 -0.987 1.428 1.00 2.03 O ATOM 0 H TYR A 43 7.059 -6.130 1.879 1.00 0.56 H new ATOM 0 HA TYR A 43 9.933 -6.054 2.224 1.00 0.66 H new ATOM 0 HB2 TYR A 43 7.620 -4.397 2.413 1.00 0.69 H new ATOM 0 HB3 TYR A 43 8.264 -4.429 4.042 1.00 0.69 H new ATOM 0 HD1 TYR A 43 9.839 -4.483 0.615 1.00 1.42 H new ATOM 0 HD2 TYR A 43 9.628 -2.567 4.455 1.00 1.68 H new ATOM 0 HE1 TYR A 43 11.631 -2.914 -0.072 1.00 1.65 H new ATOM 0 HE2 TYR A 43 11.424 -1.001 3.769 1.00 1.98 H new ATOM 0 HH TYR A 43 12.409 -0.076 1.702 1.00 2.03 H new ATOM 694 N LYS A 44 8.183 -7.164 4.766 1.00 0.73 N ATOM 695 CA LYS A 44 8.313 -7.875 6.079 1.00 0.89 C ATOM 696 C LYS A 44 9.129 -9.167 5.929 1.00 0.98 C ATOM 697 O LYS A 44 9.746 -9.630 6.870 1.00 1.13 O ATOM 698 CB LYS A 44 6.880 -8.201 6.511 1.00 0.95 C ATOM 699 CG LYS A 44 6.903 -8.848 7.899 1.00 1.37 C ATOM 700 CD LYS A 44 5.471 -9.052 8.395 1.00 1.45 C ATOM 701 CE LYS A 44 4.772 -10.091 7.515 1.00 2.00 C ATOM 702 NZ LYS A 44 3.448 -10.324 8.160 1.00 2.12 N ATOM 0 H LYS A 44 7.224 -7.041 4.440 1.00 0.73 H new ATOM 0 HA LYS A 44 8.834 -7.260 6.813 1.00 0.89 H new ATOM 0 HB2 LYS A 44 6.279 -7.292 6.531 1.00 0.95 H new ATOM 0 HB3 LYS A 44 6.416 -8.875 5.791 1.00 0.95 H new ATOM 0 HG2 LYS A 44 7.423 -9.805 7.856 1.00 1.37 H new ATOM 0 HG3 LYS A 44 7.453 -8.216 8.596 1.00 1.37 H new ATOM 0 HD2 LYS A 44 5.478 -9.384 9.433 1.00 1.45 H new ATOM 0 HD3 LYS A 44 4.926 -8.108 8.365 1.00 1.45 H new ATOM 0 HE2 LYS A 44 4.654 -9.727 6.494 1.00 2.00 H new ATOM 0 HE3 LYS A 44 5.351 -11.013 7.460 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 2.913 -11.026 7.610 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 3.591 -10.677 9.128 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 2.916 -9.431 8.192 1.00 2.12 H new ATOM 716 N GLU A 45 9.123 -9.762 4.760 1.00 0.96 N ATOM 717 CA GLU A 45 9.883 -11.039 4.556 1.00 1.12 C ATOM 718 C GLU A 45 11.358 -10.865 4.932 1.00 1.23 C ATOM 719 O GLU A 45 11.966 -11.761 5.486 1.00 1.40 O ATOM 720 CB GLU A 45 9.748 -11.359 3.066 1.00 1.12 C ATOM 721 CG GLU A 45 8.305 -11.770 2.758 1.00 1.13 C ATOM 722 CD GLU A 45 8.148 -12.064 1.259 1.00 1.70 C ATOM 723 OE1 GLU A 45 9.017 -11.673 0.494 1.00 2.07 O ATOM 724 OE2 GLU A 45 7.158 -12.681 0.902 1.00 2.41 O ATOM 0 H GLU A 45 8.625 -9.420 3.938 1.00 0.96 H new ATOM 0 HA GLU A 45 9.493 -11.840 5.184 1.00 1.12 H new ATOM 0 HB2 GLU A 45 10.024 -10.489 2.470 1.00 1.12 H new ATOM 0 HB3 GLU A 45 10.432 -12.162 2.793 1.00 1.12 H new ATOM 0 HG2 GLU A 45 8.038 -12.653 3.339 1.00 1.13 H new ATOM 0 HG3 GLU A 45 7.621 -10.975 3.054 1.00 1.13 H new ATOM 731 N LYS A 46 11.937 -9.727 4.636 1.00 1.19 N ATOM 732 CA LYS A 46 13.377 -9.512 4.983 1.00 1.38 C ATOM 733 C LYS A 46 13.565 -9.569 6.508 1.00 1.48 C ATOM 734 O LYS A 46 14.019 -10.562 7.045 1.00 1.64 O ATOM 735 CB LYS A 46 13.715 -8.115 4.453 1.00 1.36 C ATOM 736 CG LYS A 46 13.724 -8.122 2.924 1.00 1.34 C ATOM 737 CD LYS A 46 14.063 -6.719 2.420 1.00 1.84 C ATOM 738 CE LYS A 46 14.074 -6.714 0.891 1.00 1.81 C ATOM 739 NZ LYS A 46 14.083 -5.273 0.511 1.00 2.31 N ATOM 0 H LYS A 46 11.479 -8.942 4.172 1.00 1.19 H new ATOM 0 HA LYS A 46 14.024 -10.276 4.551 1.00 1.38 H new ATOM 0 HB2 LYS A 46 12.984 -7.393 4.817 1.00 1.36 H new ATOM 0 HB3 LYS A 46 14.689 -7.801 4.829 1.00 1.36 H new ATOM 0 HG2 LYS A 46 14.456 -8.841 2.555 1.00 1.34 H new ATOM 0 HG3 LYS A 46 12.751 -8.434 2.544 1.00 1.34 H new ATOM 0 HD2 LYS A 46 13.331 -6.001 2.791 1.00 1.84 H new ATOM 0 HD3 LYS A 46 15.036 -6.409 2.802 1.00 1.84 H new ATOM 0 HE2 LYS A 46 14.951 -7.231 0.501 1.00 1.81 H new ATOM 0 HE3 LYS A 46 13.198 -7.223 0.488 1.00 1.81 H new ATOM 0 HZ1 LYS A 46 14.091 -5.187 -0.525 1.00 2.31 H new ATOM 0 HZ2 LYS A 46 13.233 -4.809 0.890 1.00 2.31 H new ATOM 0 HZ3 LYS A 46 14.931 -4.816 0.903 1.00 2.31 H new ATOM 753 N THR A 47 13.215 -8.514 7.208 1.00 1.46 N ATOM 754 CA THR A 47 13.366 -8.505 8.695 1.00 1.61 C ATOM 755 C THR A 47 12.493 -7.402 9.311 1.00 1.64 C ATOM 756 O THR A 47 12.906 -6.715 10.227 1.00 1.83 O ATOM 757 CB THR A 47 14.855 -8.233 8.947 1.00 1.71 C ATOM 758 OG1 THR A 47 15.091 -8.162 10.348 1.00 2.51 O ATOM 759 CG2 THR A 47 15.269 -6.910 8.293 1.00 1.98 C ATOM 0 H THR A 47 12.830 -7.657 6.810 1.00 1.46 H new ATOM 0 HA THR A 47 13.048 -9.444 9.148 1.00 1.61 H new ATOM 0 HB THR A 47 15.443 -9.042 8.514 1.00 1.71 H new ATOM 0 HG1 THR A 47 14.449 -7.545 10.757 1.00 2.51 H new ATOM 0 HG21 THR A 47 16.328 -6.728 8.479 1.00 1.98 H new ATOM 0 HG22 THR A 47 15.093 -6.965 7.219 1.00 1.98 H new ATOM 0 HG23 THR A 47 14.681 -6.095 8.716 1.00 1.98 H new ATOM 767 N GLY A 48 11.295 -7.224 8.809 1.00 1.53 N ATOM 768 CA GLY A 48 10.399 -6.157 9.355 1.00 1.65 C ATOM 769 C GLY A 48 10.930 -4.776 8.961 1.00 1.57 C ATOM 770 O GLY A 48 11.345 -4.000 9.801 1.00 1.86 O ATOM 0 H GLY A 48 10.899 -7.771 8.045 1.00 1.53 H new ATOM 0 HA2 GLY A 48 9.387 -6.289 8.972 1.00 1.65 H new ATOM 0 HA3 GLY A 48 10.343 -6.238 10.441 1.00 1.65 H new ATOM 774 N GLN A 49 10.926 -4.468 7.689 1.00 1.30 N ATOM 775 CA GLN A 49 11.437 -3.140 7.233 1.00 1.38 C ATOM 776 C GLN A 49 10.342 -2.066 7.282 1.00 1.33 C ATOM 777 O GLN A 49 10.644 -0.891 7.337 1.00 1.59 O ATOM 778 CB GLN A 49 11.897 -3.364 5.793 1.00 1.34 C ATOM 779 CG GLN A 49 13.251 -4.075 5.793 1.00 1.56 C ATOM 780 CD GLN A 49 14.314 -3.132 6.367 1.00 2.10 C ATOM 781 OE1 GLN A 49 14.329 -1.957 6.058 1.00 2.70 O ATOM 782 NE2 GLN A 49 15.211 -3.598 7.192 1.00 2.50 N ATOM 0 H GLN A 49 10.590 -5.080 6.945 1.00 1.30 H new ATOM 0 HA GLN A 49 12.240 -2.783 7.877 1.00 1.38 H new ATOM 0 HB2 GLN A 49 11.161 -3.961 5.254 1.00 1.34 H new ATOM 0 HB3 GLN A 49 11.976 -2.409 5.273 1.00 1.34 H new ATOM 0 HG2 GLN A 49 13.197 -4.987 6.388 1.00 1.56 H new ATOM 0 HG3 GLN A 49 13.520 -4.372 4.779 1.00 1.56 H new ATOM 0 HE21 GLN A 49 15.201 -4.584 7.453 1.00 2.50 H new ATOM 0 HE22 GLN A 49 15.923 -2.976 7.576 1.00 2.50 H new ATOM 791 N GLU A 50 9.079 -2.465 7.265 1.00 1.22 N ATOM 792 CA GLU A 50 7.919 -1.492 7.304 1.00 1.34 C ATOM 793 C GLU A 50 8.235 -0.156 6.600 1.00 1.37 C ATOM 794 O GLU A 50 8.779 0.757 7.188 1.00 1.68 O ATOM 795 CB GLU A 50 7.602 -1.276 8.794 1.00 1.52 C ATOM 796 CG GLU A 50 8.856 -0.866 9.583 1.00 1.63 C ATOM 797 CD GLU A 50 8.463 -0.506 11.019 1.00 1.95 C ATOM 798 OE1 GLU A 50 7.935 0.577 11.215 1.00 2.37 O ATOM 799 OE2 GLU A 50 8.701 -1.317 11.899 1.00 2.32 O ATOM 0 H GLU A 50 8.798 -3.445 7.225 1.00 1.22 H new ATOM 0 HA GLU A 50 7.066 -1.898 6.761 1.00 1.34 H new ATOM 0 HB2 GLU A 50 6.838 -0.505 8.897 1.00 1.52 H new ATOM 0 HB3 GLU A 50 7.189 -2.192 9.216 1.00 1.52 H new ATOM 0 HG2 GLU A 50 9.579 -1.682 9.586 1.00 1.63 H new ATOM 0 HG3 GLU A 50 9.338 -0.015 9.103 1.00 1.63 H new ATOM 806 N TYR A 51 7.908 -0.048 5.337 1.00 1.36 N ATOM 807 CA TYR A 51 8.203 1.216 4.590 1.00 1.46 C ATOM 808 C TYR A 51 7.534 2.419 5.272 1.00 1.37 C ATOM 809 O TYR A 51 6.400 2.347 5.707 1.00 1.51 O ATOM 810 CB TYR A 51 7.636 1.001 3.175 1.00 1.76 C ATOM 811 CG TYR A 51 6.128 0.830 3.222 1.00 1.54 C ATOM 812 CD1 TYR A 51 5.297 1.953 3.125 1.00 2.01 C ATOM 813 CD2 TYR A 51 5.564 -0.443 3.369 1.00 1.93 C ATOM 814 CE1 TYR A 51 3.905 1.804 3.174 1.00 2.28 C ATOM 815 CE2 TYR A 51 4.173 -0.590 3.419 1.00 2.22 C ATOM 816 CZ TYR A 51 3.343 0.533 3.322 1.00 2.18 C ATOM 817 OH TYR A 51 1.971 0.386 3.375 1.00 2.77 O ATOM 0 H TYR A 51 7.451 -0.778 4.791 1.00 1.36 H new ATOM 0 HA TYR A 51 9.271 1.430 4.565 1.00 1.46 H new ATOM 0 HB2 TYR A 51 7.891 1.851 2.542 1.00 1.76 H new ATOM 0 HB3 TYR A 51 8.093 0.120 2.725 1.00 1.76 H new ATOM 0 HD1 TYR A 51 5.730 2.936 3.012 1.00 2.01 H new ATOM 0 HD2 TYR A 51 6.202 -1.311 3.444 1.00 1.93 H new ATOM 0 HE1 TYR A 51 3.266 2.671 3.097 1.00 2.28 H new ATOM 0 HE2 TYR A 51 3.739 -1.572 3.533 1.00 2.22 H new ATOM 0 HH TYR A 51 1.747 -0.562 3.479 1.00 2.77 H new