USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=7 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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.611 K(o=-0.61,f=-1.6) USER MOD Single : A 12 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.29) 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 35 GLN : amide:sc= -0.267 X(o=-0.27,f=-0.29) USER MOD Single : A 38 SER OG : rot -100:sc= 1.14 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot -63:sc= 1.2 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= -0.03 (180deg=-0.559) USER MOD Single : A 47 THR OG1 : rot -46:sc= 0.521 USER MOD Single : A 49 GLN :FLIP amide:sc= -0.182 F(o=-1,f=-0.18) USER MOD Single : A 51 TYR OH : rot 180:sc= -0.384 USER MOD ----------------------------------------------------------------- ATOM 25 N LEU A 3 14.720 2.663 -2.706 1.00 0.82 N ATOM 26 CA LEU A 3 13.839 3.863 -2.906 1.00 0.75 C ATOM 27 C LEU A 3 12.754 3.624 -3.963 1.00 0.60 C ATOM 28 O LEU A 3 11.589 3.883 -3.724 1.00 0.55 O ATOM 29 CB LEU A 3 14.776 4.970 -3.378 1.00 0.85 C ATOM 30 CG LEU A 3 14.052 6.316 -3.288 1.00 1.06 C ATOM 31 CD1 LEU A 3 15.080 7.437 -3.126 1.00 1.23 C ATOM 32 CD2 LEU A 3 13.224 6.547 -4.562 1.00 1.69 C ATOM 0 HA LEU A 3 13.313 4.107 -1.983 1.00 0.75 H new ATOM 0 HB2 LEU A 3 15.677 4.986 -2.764 1.00 0.85 H new ATOM 0 HB3 LEU A 3 15.093 4.782 -4.404 1.00 0.85 H new ATOM 0 HG LEU A 3 13.384 6.312 -2.427 1.00 1.06 H new ATOM 0 HD11 LEU A 3 14.566 8.396 -3.062 1.00 1.23 H new ATOM 0 HD12 LEU A 3 15.657 7.273 -2.216 1.00 1.23 H new ATOM 0 HD13 LEU A 3 15.751 7.442 -3.985 1.00 1.23 H new ATOM 0 HD21 LEU A 3 12.711 7.506 -4.493 1.00 1.69 H new ATOM 0 HD22 LEU A 3 13.884 6.550 -5.429 1.00 1.69 H new ATOM 0 HD23 LEU A 3 12.489 5.749 -4.668 1.00 1.69 H new ATOM 44 N VAL A 4 13.117 3.152 -5.132 1.00 0.64 N ATOM 45 CA VAL A 4 12.084 2.923 -6.198 1.00 0.67 C ATOM 46 C VAL A 4 11.020 1.945 -5.702 1.00 0.58 C ATOM 47 O VAL A 4 9.841 2.107 -5.954 1.00 0.52 O ATOM 48 CB VAL A 4 12.840 2.360 -7.406 1.00 0.91 C ATOM 49 CG1 VAL A 4 13.459 1.003 -7.080 1.00 1.52 C ATOM 50 CG2 VAL A 4 11.868 2.207 -8.577 1.00 1.37 C ATOM 0 H VAL A 4 14.074 2.917 -5.395 1.00 0.64 H new ATOM 0 HA VAL A 4 11.562 3.843 -6.463 1.00 0.67 H new ATOM 0 HB VAL A 4 13.643 3.049 -7.668 1.00 0.91 H new ATOM 0 HG11 VAL A 4 13.990 0.626 -7.954 1.00 1.52 H new ATOM 0 HG12 VAL A 4 14.158 1.112 -6.250 1.00 1.52 H new ATOM 0 HG13 VAL A 4 12.672 0.301 -6.802 1.00 1.52 H new ATOM 0 HG21 VAL A 4 12.399 1.807 -9.441 1.00 1.37 H new ATOM 0 HG22 VAL A 4 11.065 1.525 -8.297 1.00 1.37 H new ATOM 0 HG23 VAL A 4 11.446 3.180 -8.829 1.00 1.37 H new ATOM 60 N LEU A 5 11.440 0.939 -4.989 1.00 0.62 N ATOM 61 CA LEU A 5 10.470 -0.067 -4.451 1.00 0.61 C ATOM 62 C LEU A 5 9.447 0.641 -3.554 1.00 0.46 C ATOM 63 O LEU A 5 8.266 0.349 -3.589 1.00 0.41 O ATOM 64 CB LEU A 5 11.319 -1.053 -3.636 1.00 0.77 C ATOM 65 CG LEU A 5 10.616 -2.418 -3.545 1.00 1.13 C ATOM 66 CD1 LEU A 5 9.253 -2.258 -2.861 1.00 1.92 C ATOM 67 CD2 LEU A 5 10.429 -3.004 -4.956 1.00 1.49 C ATOM 0 H LEU A 5 12.417 0.765 -4.752 1.00 0.62 H new ATOM 0 HA LEU A 5 9.915 -0.578 -5.238 1.00 0.61 H new ATOM 0 HB2 LEU A 5 12.298 -1.171 -4.101 1.00 0.77 H new ATOM 0 HB3 LEU A 5 11.488 -0.656 -2.635 1.00 0.77 H new ATOM 0 HG LEU A 5 11.231 -3.098 -2.956 1.00 1.13 H new ATOM 0 HD11 LEU A 5 8.760 -3.228 -2.800 1.00 1.92 H new ATOM 0 HD12 LEU A 5 9.395 -1.859 -1.857 1.00 1.92 H new ATOM 0 HD13 LEU A 5 8.634 -1.573 -3.440 1.00 1.92 H new ATOM 0 HD21 LEU A 5 9.931 -3.971 -4.885 1.00 1.49 H new ATOM 0 HD22 LEU A 5 9.821 -2.325 -5.554 1.00 1.49 H new ATOM 0 HD23 LEU A 5 11.403 -3.131 -5.429 1.00 1.49 H new ATOM 79 N TYR A 6 9.897 1.587 -2.769 1.00 0.44 N ATOM 80 CA TYR A 6 8.962 2.347 -1.881 1.00 0.41 C ATOM 81 C TYR A 6 7.885 3.047 -2.724 1.00 0.32 C ATOM 82 O TYR A 6 6.736 3.132 -2.333 1.00 0.35 O ATOM 83 CB TYR A 6 9.834 3.385 -1.165 1.00 0.54 C ATOM 84 CG TYR A 6 10.099 2.956 0.257 1.00 1.20 C ATOM 85 CD1 TYR A 6 11.197 2.142 0.557 1.00 2.14 C ATOM 86 CD2 TYR A 6 9.247 3.387 1.279 1.00 1.81 C ATOM 87 CE1 TYR A 6 11.442 1.758 1.881 1.00 2.94 C ATOM 88 CE2 TYR A 6 9.491 3.004 2.601 1.00 2.57 C ATOM 89 CZ TYR A 6 10.588 2.190 2.903 1.00 2.97 C ATOM 90 OH TYR A 6 10.828 1.815 4.209 1.00 3.87 O ATOM 0 H TYR A 6 10.875 1.868 -2.704 1.00 0.44 H new ATOM 0 HA TYR A 6 8.448 1.694 -1.176 1.00 0.41 H new ATOM 0 HB2 TYR A 6 10.778 3.506 -1.697 1.00 0.54 H new ATOM 0 HB3 TYR A 6 9.337 4.355 -1.173 1.00 0.54 H new ATOM 0 HD1 TYR A 6 11.855 1.810 -0.232 1.00 2.14 H new ATOM 0 HD2 TYR A 6 8.400 4.016 1.047 1.00 1.81 H new ATOM 0 HE1 TYR A 6 12.289 1.129 2.114 1.00 2.94 H new ATOM 0 HE2 TYR A 6 8.832 3.337 3.390 1.00 2.57 H new ATOM 0 HH TYR A 6 10.142 2.202 4.792 1.00 3.87 H new ATOM 100 N ASN A 7 8.251 3.565 -3.873 1.00 0.33 N ATOM 101 CA ASN A 7 7.245 4.268 -4.734 1.00 0.39 C ATOM 102 C ASN A 7 6.118 3.302 -5.116 1.00 0.35 C ATOM 103 O ASN A 7 4.955 3.660 -5.140 1.00 0.39 O ATOM 104 CB ASN A 7 8.007 4.687 -5.995 1.00 0.53 C ATOM 105 CG ASN A 7 9.175 5.611 -5.628 1.00 0.61 C ATOM 106 OD1 ASN A 7 9.253 6.107 -4.523 1.00 1.12 O ATOM 107 ND2 ASN A 7 10.096 5.868 -6.519 1.00 1.35 N ATOM 0 H ASN A 7 9.198 3.532 -4.251 1.00 0.33 H new ATOM 0 HA ASN A 7 6.798 5.119 -4.220 1.00 0.39 H new ATOM 0 HB2 ASN A 7 8.382 3.804 -6.512 1.00 0.53 H new ATOM 0 HB3 ASN A 7 7.333 5.197 -6.683 1.00 0.53 H new ATOM 0 HD21 ASN A 7 10.875 6.483 -6.284 1.00 1.35 H new ATOM 0 HD22 ASN A 7 10.035 5.454 -7.449 1.00 1.35 H new ATOM 114 N ARG A 8 6.469 2.080 -5.425 1.00 0.35 N ATOM 115 CA ARG A 8 5.442 1.070 -5.826 1.00 0.40 C ATOM 116 C ARG A 8 4.424 0.857 -4.702 1.00 0.33 C ATOM 117 O ARG A 8 3.228 0.894 -4.929 1.00 0.37 O ATOM 118 CB ARG A 8 6.233 -0.216 -6.090 1.00 0.48 C ATOM 119 CG ARG A 8 5.283 -1.320 -6.564 1.00 1.09 C ATOM 120 CD ARG A 8 6.084 -2.581 -6.902 1.00 1.30 C ATOM 121 NE ARG A 8 6.606 -3.072 -5.595 1.00 1.95 N ATOM 122 CZ ARG A 8 6.994 -4.310 -5.471 1.00 2.36 C ATOM 123 NH1 ARG A 8 7.877 -4.803 -6.296 1.00 2.85 N ATOM 124 NH2 ARG A 8 6.504 -5.055 -4.518 1.00 2.93 N ATOM 0 H ARG A 8 7.429 1.736 -5.417 1.00 0.35 H new ATOM 0 HA ARG A 8 4.875 1.389 -6.701 1.00 0.40 H new ATOM 0 HB2 ARG A 8 6.999 -0.034 -6.844 1.00 0.48 H new ATOM 0 HB3 ARG A 8 6.747 -0.531 -5.182 1.00 0.48 H new ATOM 0 HG2 ARG A 8 4.550 -1.540 -5.788 1.00 1.09 H new ATOM 0 HG3 ARG A 8 4.728 -0.984 -7.440 1.00 1.09 H new ATOM 0 HD2 ARG A 8 5.455 -3.331 -7.382 1.00 1.30 H new ATOM 0 HD3 ARG A 8 6.897 -2.358 -7.593 1.00 1.30 H new ATOM 0 HE ARG A 8 6.660 -2.439 -4.797 1.00 1.95 H new ATOM 0 HH11 ARG A 8 8.264 -4.219 -7.038 1.00 2.85 H new ATOM 0 HH12 ARG A 8 8.181 -5.772 -6.199 1.00 2.85 H new ATOM 0 HH21 ARG A 8 5.817 -4.668 -3.870 1.00 2.93 H new ATOM 0 HH22 ARG A 8 6.808 -6.024 -4.421 1.00 2.93 H new ATOM 138 N VAL A 9 4.884 0.632 -3.493 1.00 0.29 N ATOM 139 CA VAL A 9 3.933 0.415 -2.363 1.00 0.32 C ATOM 140 C VAL A 9 3.159 1.712 -2.086 1.00 0.29 C ATOM 141 O VAL A 9 1.972 1.693 -1.821 1.00 0.32 O ATOM 142 CB VAL A 9 4.795 -0.020 -1.160 1.00 0.41 C ATOM 143 CG1 VAL A 9 5.578 -1.285 -1.527 1.00 0.79 C ATOM 144 CG2 VAL A 9 5.793 1.072 -0.762 1.00 1.07 C ATOM 0 H VAL A 9 5.872 0.590 -3.244 1.00 0.29 H new ATOM 0 HA VAL A 9 3.187 -0.349 -2.582 1.00 0.32 H new ATOM 0 HB VAL A 9 4.127 -0.207 -0.319 1.00 0.41 H new ATOM 0 HG11 VAL A 9 6.188 -1.594 -0.678 1.00 0.79 H new ATOM 0 HG12 VAL A 9 4.881 -2.083 -1.783 1.00 0.79 H new ATOM 0 HG13 VAL A 9 6.223 -1.079 -2.381 1.00 0.79 H new ATOM 0 HG21 VAL A 9 6.384 0.732 0.089 1.00 1.07 H new ATOM 0 HG22 VAL A 9 6.455 1.284 -1.602 1.00 1.07 H new ATOM 0 HG23 VAL A 9 5.252 1.978 -0.489 1.00 1.07 H new ATOM 154 N ALA A 10 3.825 2.835 -2.162 1.00 0.28 N ATOM 155 CA ALA A 10 3.145 4.147 -1.926 1.00 0.34 C ATOM 156 C ALA A 10 2.024 4.354 -2.943 1.00 0.33 C ATOM 157 O ALA A 10 0.984 4.904 -2.633 1.00 0.36 O ATOM 158 CB ALA A 10 4.235 5.209 -2.091 1.00 0.42 C ATOM 0 H ALA A 10 4.819 2.901 -2.379 1.00 0.28 H new ATOM 0 HA ALA A 10 2.686 4.197 -0.939 1.00 0.34 H new ATOM 0 HB1 ALA A 10 3.806 6.198 -1.931 1.00 0.42 H new ATOM 0 HB2 ALA A 10 5.026 5.034 -1.362 1.00 0.42 H new ATOM 0 HB3 ALA A 10 4.650 5.151 -3.097 1.00 0.42 H new ATOM 164 N VAL A 11 2.237 3.927 -4.159 1.00 0.35 N ATOM 165 CA VAL A 11 1.193 4.104 -5.216 1.00 0.42 C ATOM 166 C VAL A 11 -0.097 3.379 -4.799 1.00 0.41 C ATOM 167 O VAL A 11 -1.172 3.953 -4.829 1.00 0.41 O ATOM 168 CB VAL A 11 1.814 3.478 -6.479 1.00 0.52 C ATOM 169 CG1 VAL A 11 0.776 3.389 -7.604 1.00 0.93 C ATOM 170 CG2 VAL A 11 3.002 4.334 -6.944 1.00 0.95 C ATOM 0 H VAL A 11 3.090 3.462 -4.469 1.00 0.35 H new ATOM 0 HA VAL A 11 0.919 5.146 -5.381 1.00 0.42 H new ATOM 0 HB VAL A 11 2.155 2.471 -6.238 1.00 0.52 H new ATOM 0 HG11 VAL A 11 1.234 2.944 -8.487 1.00 0.93 H new ATOM 0 HG12 VAL A 11 -0.061 2.771 -7.279 1.00 0.93 H new ATOM 0 HG13 VAL A 11 0.416 4.389 -7.847 1.00 0.93 H new ATOM 0 HG21 VAL A 11 3.442 3.891 -7.838 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.657 5.343 -7.171 1.00 0.95 H new ATOM 0 HG23 VAL A 11 3.751 4.376 -6.154 1.00 0.95 H new ATOM 180 N GLN A 12 0.000 2.133 -4.404 1.00 0.41 N ATOM 181 CA GLN A 12 -1.228 1.390 -3.980 1.00 0.43 C ATOM 182 C GLN A 12 -1.851 2.069 -2.753 1.00 0.39 C ATOM 183 O GLN A 12 -3.014 2.411 -2.757 1.00 0.41 O ATOM 184 CB GLN A 12 -0.745 -0.023 -3.640 1.00 0.49 C ATOM 185 CG GLN A 12 -1.949 -0.934 -3.382 1.00 0.95 C ATOM 186 CD GLN A 12 -2.782 -1.062 -4.660 1.00 1.11 C ATOM 187 OE1 GLN A 12 -2.328 -1.612 -5.644 1.00 1.61 O ATOM 188 NE2 GLN A 12 -3.989 -0.565 -4.688 1.00 1.84 N ATOM 0 H GLN A 12 0.869 1.601 -4.357 1.00 0.41 H new ATOM 0 HA GLN A 12 -1.994 1.373 -4.755 1.00 0.43 H new ATOM 0 HB2 GLN A 12 -0.146 -0.420 -4.460 1.00 0.49 H new ATOM 0 HB3 GLN A 12 -0.103 0.004 -2.760 1.00 0.49 H new ATOM 0 HG2 GLN A 12 -1.610 -1.918 -3.057 1.00 0.95 H new ATOM 0 HG3 GLN A 12 -2.560 -0.526 -2.577 1.00 0.95 H new ATOM 0 HE21 GLN A 12 -4.370 -0.103 -3.862 1.00 1.84 H new ATOM 0 HE22 GLN A 12 -4.551 -0.638 -5.536 1.00 1.84 H new ATOM 197 N GLY A 13 -1.079 2.225 -1.693 1.00 0.36 N ATOM 198 CA GLY A 13 -1.578 2.849 -0.407 1.00 0.36 C ATOM 199 C GLY A 13 -2.573 3.990 -0.699 1.00 0.34 C ATOM 200 O GLY A 13 -3.672 4.027 -0.181 1.00 0.34 O ATOM 0 H GLY A 13 -0.100 1.940 -1.663 1.00 0.36 H new ATOM 0 HA2 GLY A 13 -2.060 2.089 0.207 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -0.735 3.234 0.166 1.00 0.36 H new ATOM 204 N ASP A 14 -2.170 4.915 -1.531 1.00 0.35 N ATOM 205 CA ASP A 14 -3.048 6.072 -1.889 1.00 0.36 C ATOM 206 C ASP A 14 -4.326 5.604 -2.589 1.00 0.33 C ATOM 207 O ASP A 14 -5.388 6.160 -2.380 1.00 0.34 O ATOM 208 CB ASP A 14 -2.209 6.938 -2.834 1.00 0.42 C ATOM 209 CG ASP A 14 -1.069 7.606 -2.057 1.00 0.48 C ATOM 210 OD1 ASP A 14 -1.178 7.714 -0.844 1.00 1.00 O ATOM 211 OD2 ASP A 14 -0.104 8.000 -2.689 1.00 1.12 O ATOM 0 H ASP A 14 -1.256 4.919 -1.985 1.00 0.35 H new ATOM 0 HA ASP A 14 -3.367 6.618 -1.001 1.00 0.36 H new ATOM 0 HB2 ASP A 14 -1.802 6.325 -3.638 1.00 0.42 H new ATOM 0 HB3 ASP A 14 -2.837 7.697 -3.299 1.00 0.42 H new ATOM 216 N VAL A 15 -4.235 4.600 -3.430 1.00 0.34 N ATOM 217 CA VAL A 15 -5.455 4.121 -4.157 1.00 0.35 C ATOM 218 C VAL A 15 -6.512 3.672 -3.141 1.00 0.33 C ATOM 219 O VAL A 15 -7.682 3.957 -3.296 1.00 0.32 O ATOM 220 CB VAL A 15 -4.972 2.941 -5.017 1.00 0.40 C ATOM 221 CG1 VAL A 15 -6.159 2.261 -5.709 1.00 0.45 C ATOM 222 CG2 VAL A 15 -3.993 3.456 -6.075 1.00 0.46 C ATOM 0 H VAL A 15 -3.375 4.095 -3.643 1.00 0.34 H new ATOM 0 HA VAL A 15 -5.914 4.895 -4.772 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.477 2.213 -4.374 1.00 0.40 H new ATOM 0 HG11 VAL A 15 -5.799 1.428 -6.313 1.00 0.45 H new ATOM 0 HG12 VAL A 15 -6.855 1.890 -4.957 1.00 0.45 H new ATOM 0 HG13 VAL A 15 -6.668 2.981 -6.350 1.00 0.45 H new ATOM 0 HG21 VAL A 15 -3.648 2.623 -6.687 1.00 0.46 H new ATOM 0 HG22 VAL A 15 -4.494 4.189 -6.708 1.00 0.46 H new ATOM 0 HG23 VAL A 15 -3.140 3.924 -5.584 1.00 0.46 H new ATOM 232 N VAL A 16 -6.106 3.002 -2.091 1.00 0.34 N ATOM 233 CA VAL A 16 -7.095 2.568 -1.051 1.00 0.35 C ATOM 234 C VAL A 16 -7.785 3.814 -0.464 1.00 0.33 C ATOM 235 O VAL A 16 -8.997 3.884 -0.377 1.00 0.33 O ATOM 236 CB VAL A 16 -6.262 1.829 0.012 1.00 0.41 C ATOM 237 CG1 VAL A 16 -7.116 1.529 1.251 1.00 0.70 C ATOM 238 CG2 VAL A 16 -5.751 0.510 -0.574 1.00 0.60 C ATOM 0 H VAL A 16 -5.138 2.737 -1.908 1.00 0.34 H new ATOM 0 HA VAL A 16 -7.880 1.923 -1.445 1.00 0.35 H new ATOM 0 HB VAL A 16 -5.424 2.462 0.304 1.00 0.41 H new ATOM 0 HG11 VAL A 16 -6.511 1.006 1.992 1.00 0.70 H new ATOM 0 HG12 VAL A 16 -7.482 2.464 1.675 1.00 0.70 H new ATOM 0 HG13 VAL A 16 -7.962 0.903 0.967 1.00 0.70 H new ATOM 0 HG21 VAL A 16 -5.160 -0.017 0.176 1.00 0.60 H new ATOM 0 HG22 VAL A 16 -6.598 -0.109 -0.869 1.00 0.60 H new ATOM 0 HG23 VAL A 16 -5.130 0.716 -1.446 1.00 0.60 H new ATOM 248 N ARG A 17 -7.009 4.797 -0.068 1.00 0.34 N ATOM 249 CA ARG A 17 -7.600 6.043 0.515 1.00 0.36 C ATOM 250 C ARG A 17 -8.530 6.721 -0.501 1.00 0.32 C ATOM 251 O ARG A 17 -9.609 7.166 -0.161 1.00 0.33 O ATOM 252 CB ARG A 17 -6.407 6.960 0.825 1.00 0.41 C ATOM 253 CG ARG A 17 -6.915 8.251 1.478 1.00 1.01 C ATOM 254 CD ARG A 17 -5.738 9.180 1.794 1.00 1.36 C ATOM 255 NE ARG A 17 -6.344 10.346 2.502 1.00 1.99 N ATOM 256 CZ ARG A 17 -5.646 11.433 2.691 1.00 2.51 C ATOM 257 NH1 ARG A 17 -4.903 11.556 3.757 1.00 3.15 N ATOM 258 NH2 ARG A 17 -5.695 12.400 1.817 1.00 2.93 N ATOM 0 H ARG A 17 -5.991 4.789 -0.124 1.00 0.34 H new ATOM 0 HA ARG A 17 -8.192 5.827 1.404 1.00 0.36 H new ATOM 0 HB2 ARG A 17 -5.708 6.453 1.490 1.00 0.41 H new ATOM 0 HB3 ARG A 17 -5.864 7.192 -0.091 1.00 0.41 H new ATOM 0 HG2 ARG A 17 -7.616 8.753 0.811 1.00 1.01 H new ATOM 0 HG3 ARG A 17 -7.458 8.015 2.393 1.00 1.01 H new ATOM 0 HD2 ARG A 17 -4.998 8.680 2.419 1.00 1.36 H new ATOM 0 HD3 ARG A 17 -5.227 9.493 0.883 1.00 1.36 H new ATOM 0 HE ARG A 17 -7.305 10.293 2.839 1.00 1.99 H new ATOM 0 HH11 ARG A 17 -4.867 10.802 4.443 1.00 3.15 H new ATOM 0 HH12 ARG A 17 -4.358 12.406 3.904 1.00 3.15 H new ATOM 0 HH21 ARG A 17 -6.279 12.307 0.986 1.00 2.93 H new ATOM 0 HH22 ARG A 17 -5.150 13.249 1.965 1.00 2.93 H new ATOM 272 N GLU A 18 -8.116 6.803 -1.742 1.00 0.32 N ATOM 273 CA GLU A 18 -8.970 7.454 -2.785 1.00 0.33 C ATOM 274 C GLU A 18 -10.308 6.732 -2.935 1.00 0.30 C ATOM 275 O GLU A 18 -11.336 7.354 -3.122 1.00 0.35 O ATOM 276 CB GLU A 18 -8.176 7.376 -4.085 1.00 0.39 C ATOM 277 CG GLU A 18 -7.024 8.386 -4.048 1.00 1.06 C ATOM 278 CD GLU A 18 -6.233 8.344 -5.365 1.00 1.56 C ATOM 279 OE1 GLU A 18 -6.661 7.661 -6.284 1.00 2.23 O ATOM 280 OE2 GLU A 18 -5.210 9.006 -5.434 1.00 2.12 O ATOM 0 H GLU A 18 -7.222 6.446 -2.079 1.00 0.32 H new ATOM 0 HA GLU A 18 -9.201 8.484 -2.512 1.00 0.33 H new ATOM 0 HB2 GLU A 18 -7.785 6.368 -4.223 1.00 0.39 H new ATOM 0 HB3 GLU A 18 -8.828 7.584 -4.934 1.00 0.39 H new ATOM 0 HG2 GLU A 18 -7.417 9.389 -3.884 1.00 1.06 H new ATOM 0 HG3 GLU A 18 -6.362 8.162 -3.211 1.00 1.06 H new ATOM 287 N LEU A 19 -10.304 5.427 -2.875 1.00 0.28 N ATOM 288 CA LEU A 19 -11.582 4.667 -3.042 1.00 0.32 C ATOM 289 C LEU A 19 -12.595 5.059 -1.966 1.00 0.36 C ATOM 290 O LEU A 19 -13.771 5.207 -2.245 1.00 0.42 O ATOM 291 CB LEU A 19 -11.191 3.204 -2.895 1.00 0.34 C ATOM 292 CG LEU A 19 -10.371 2.774 -4.111 1.00 0.43 C ATOM 293 CD1 LEU A 19 -9.753 1.399 -3.854 1.00 1.02 C ATOM 294 CD2 LEU A 19 -11.285 2.694 -5.333 1.00 0.69 C ATOM 0 H LEU A 19 -9.475 4.854 -2.718 1.00 0.28 H new ATOM 0 HA LEU A 19 -12.054 4.875 -4.002 1.00 0.32 H new ATOM 0 HB2 LEU A 19 -10.612 3.061 -1.983 1.00 0.34 H new ATOM 0 HB3 LEU A 19 -12.084 2.585 -2.807 1.00 0.34 H new ATOM 0 HG LEU A 19 -9.579 3.501 -4.289 1.00 0.43 H new ATOM 0 HD11 LEU A 19 -9.169 1.095 -4.722 1.00 1.02 H new ATOM 0 HD12 LEU A 19 -9.104 1.449 -2.980 1.00 1.02 H new ATOM 0 HD13 LEU A 19 -10.545 0.672 -3.676 1.00 1.02 H new ATOM 0 HD21 LEU A 19 -10.704 2.388 -6.203 1.00 0.69 H new ATOM 0 HD22 LEU A 19 -12.075 1.966 -5.149 1.00 0.69 H new ATOM 0 HD23 LEU A 19 -11.729 3.672 -5.520 1.00 0.69 H new ATOM 306 N LYS A 20 -12.157 5.238 -0.746 1.00 0.39 N ATOM 307 CA LYS A 20 -13.107 5.632 0.333 1.00 0.51 C ATOM 308 C LYS A 20 -13.639 7.028 0.050 1.00 0.57 C ATOM 309 O LYS A 20 -14.815 7.299 0.206 1.00 0.67 O ATOM 310 CB LYS A 20 -12.298 5.605 1.632 1.00 0.59 C ATOM 311 CG LYS A 20 -11.939 4.158 1.993 1.00 0.84 C ATOM 312 CD LYS A 20 -13.215 3.329 2.174 1.00 1.09 C ATOM 313 CE LYS A 20 -12.919 2.118 3.061 1.00 1.44 C ATOM 314 NZ LYS A 20 -13.324 2.541 4.431 1.00 2.08 N ATOM 0 H LYS A 20 -11.186 5.128 -0.453 1.00 0.39 H new ATOM 0 HA LYS A 20 -13.965 4.963 0.397 1.00 0.51 H new ATOM 0 HB2 LYS A 20 -11.390 6.197 1.517 1.00 0.59 H new ATOM 0 HB3 LYS A 20 -12.874 6.058 2.439 1.00 0.59 H new ATOM 0 HG2 LYS A 20 -11.321 3.722 1.208 1.00 0.84 H new ATOM 0 HG3 LYS A 20 -11.350 4.139 2.910 1.00 0.84 H new ATOM 0 HD2 LYS A 20 -13.997 3.940 2.625 1.00 1.09 H new ATOM 0 HD3 LYS A 20 -13.587 3.000 1.204 1.00 1.09 H new ATOM 0 HE2 LYS A 20 -13.481 1.242 2.735 1.00 1.44 H new ATOM 0 HE3 LYS A 20 -11.863 1.851 3.026 1.00 1.44 H new ATOM 0 HZ1 LYS A 20 -13.152 1.763 5.100 1.00 2.08 H new ATOM 0 HZ2 LYS A 20 -12.768 3.372 4.716 1.00 2.08 H new ATOM 0 HZ3 LYS A 20 -14.335 2.783 4.435 1.00 2.08 H new ATOM 328 N ALA A 21 -12.784 7.904 -0.407 1.00 0.55 N ATOM 329 CA ALA A 21 -13.241 9.278 -0.751 1.00 0.67 C ATOM 330 C ALA A 21 -14.166 9.183 -1.967 1.00 0.69 C ATOM 331 O ALA A 21 -15.049 9.997 -2.154 1.00 0.81 O ATOM 332 CB ALA A 21 -11.972 10.066 -1.086 1.00 0.67 C ATOM 0 H ALA A 21 -11.791 7.726 -0.556 1.00 0.55 H new ATOM 0 HA ALA A 21 -13.790 9.764 0.056 1.00 0.67 H new ATOM 0 HB1 ALA A 21 -12.238 11.090 -1.349 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -11.310 10.074 -0.220 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -11.463 9.596 -1.928 1.00 0.67 H new ATOM 338 N LYS A 22 -13.972 8.172 -2.787 1.00 0.62 N ATOM 339 CA LYS A 22 -14.841 7.995 -3.987 1.00 0.71 C ATOM 340 C LYS A 22 -16.113 7.205 -3.635 1.00 0.74 C ATOM 341 O LYS A 22 -16.853 6.810 -4.513 1.00 0.81 O ATOM 342 CB LYS A 22 -13.986 7.223 -4.992 1.00 0.73 C ATOM 343 CG LYS A 22 -12.867 8.127 -5.511 1.00 1.07 C ATOM 344 CD LYS A 22 -11.882 7.296 -6.334 1.00 1.07 C ATOM 345 CE LYS A 22 -12.545 6.866 -7.645 1.00 1.91 C ATOM 346 NZ LYS A 22 -11.413 6.555 -8.562 1.00 2.11 N ATOM 0 H LYS A 22 -13.247 7.464 -2.672 1.00 0.62 H new ATOM 0 HA LYS A 22 -15.176 8.952 -4.387 1.00 0.71 H new ATOM 0 HB2 LYS A 22 -13.562 6.337 -4.520 1.00 0.73 H new ATOM 0 HB3 LYS A 22 -14.603 6.878 -5.821 1.00 0.73 H new ATOM 0 HG2 LYS A 22 -13.285 8.927 -6.123 1.00 1.07 H new ATOM 0 HG3 LYS A 22 -12.351 8.601 -4.676 1.00 1.07 H new ATOM 0 HD2 LYS A 22 -10.984 7.878 -6.542 1.00 1.07 H new ATOM 0 HD3 LYS A 22 -11.569 6.419 -5.768 1.00 1.07 H new ATOM 0 HE2 LYS A 22 -13.185 5.996 -7.498 1.00 1.91 H new ATOM 0 HE3 LYS A 22 -13.174 7.659 -8.049 1.00 1.91 H new ATOM 0 HZ1 LYS A 22 -11.786 6.252 -9.484 1.00 2.11 H new ATOM 0 HZ2 LYS A 22 -10.825 7.404 -8.688 1.00 2.11 H new ATOM 0 HZ3 LYS A 22 -10.836 5.792 -8.155 1.00 2.11 H new ATOM 360 N LYS A 23 -16.371 6.965 -2.359 1.00 0.72 N ATOM 361 CA LYS A 23 -17.600 6.200 -1.946 1.00 0.79 C ATOM 362 C LYS A 23 -17.620 4.813 -2.592 1.00 0.77 C ATOM 363 O LYS A 23 -18.664 4.214 -2.771 1.00 0.85 O ATOM 364 CB LYS A 23 -18.785 7.033 -2.429 1.00 0.91 C ATOM 365 CG LYS A 23 -18.754 8.403 -1.745 1.00 0.97 C ATOM 366 CD LYS A 23 -19.917 9.263 -2.248 1.00 1.26 C ATOM 367 CE LYS A 23 -21.240 8.695 -1.732 1.00 1.53 C ATOM 368 NZ LYS A 23 -22.280 9.640 -2.225 1.00 2.28 N ATOM 0 H LYS A 23 -15.779 7.269 -1.586 1.00 0.72 H new ATOM 0 HA LYS A 23 -17.629 6.043 -0.868 1.00 0.79 H new ATOM 0 HB2 LYS A 23 -18.742 7.153 -3.511 1.00 0.91 H new ATOM 0 HB3 LYS A 23 -19.720 6.522 -2.202 1.00 0.91 H new ATOM 0 HG2 LYS A 23 -18.821 8.281 -0.664 1.00 0.97 H new ATOM 0 HG3 LYS A 23 -17.806 8.901 -1.951 1.00 0.97 H new ATOM 0 HD2 LYS A 23 -19.795 10.291 -1.908 1.00 1.26 H new ATOM 0 HD3 LYS A 23 -19.920 9.286 -3.338 1.00 1.26 H new ATOM 0 HE2 LYS A 23 -21.411 7.687 -2.109 1.00 1.53 H new ATOM 0 HE3 LYS A 23 -21.246 8.633 -0.644 1.00 1.53 H new ATOM 0 HZ1 LYS A 23 -23.218 9.318 -1.911 1.00 2.28 H new ATOM 0 HZ2 LYS A 23 -22.095 10.590 -1.844 1.00 2.28 H new ATOM 0 HZ3 LYS A 23 -22.255 9.673 -3.264 1.00 2.28 H new ATOM 382 N ALA A 24 -16.471 4.307 -2.938 1.00 0.68 N ATOM 383 CA ALA A 24 -16.397 2.954 -3.575 1.00 0.70 C ATOM 384 C ALA A 24 -16.950 1.883 -2.619 1.00 0.71 C ATOM 385 O ALA A 24 -16.993 2.092 -1.423 1.00 0.71 O ATOM 386 CB ALA A 24 -14.910 2.713 -3.844 1.00 0.62 C ATOM 0 H ALA A 24 -15.572 4.771 -2.808 1.00 0.68 H new ATOM 0 HA ALA A 24 -16.988 2.902 -4.489 1.00 0.70 H new ATOM 0 HB1 ALA A 24 -14.778 1.737 -4.312 1.00 0.62 H new ATOM 0 HB2 ALA A 24 -14.530 3.488 -4.509 1.00 0.62 H new ATOM 0 HB3 ALA A 24 -14.361 2.741 -2.903 1.00 0.62 H new ATOM 392 N PRO A 25 -17.361 0.762 -3.175 1.00 0.77 N ATOM 393 CA PRO A 25 -17.913 -0.335 -2.342 1.00 0.82 C ATOM 394 C PRO A 25 -16.799 -1.019 -1.553 1.00 0.71 C ATOM 395 O PRO A 25 -15.627 -0.831 -1.820 1.00 0.60 O ATOM 396 CB PRO A 25 -18.503 -1.304 -3.364 1.00 0.93 C ATOM 397 CG PRO A 25 -17.735 -1.047 -4.619 1.00 0.91 C ATOM 398 CD PRO A 25 -17.355 0.408 -4.604 1.00 0.84 C ATOM 0 HA PRO A 25 -18.643 0.016 -1.613 1.00 0.82 H new ATOM 0 HB2 PRO A 25 -18.394 -2.338 -3.038 1.00 0.93 H new ATOM 0 HB3 PRO A 25 -19.569 -1.126 -3.509 1.00 0.93 H new ATOM 0 HG2 PRO A 25 -16.848 -1.678 -4.665 1.00 0.91 H new ATOM 0 HG3 PRO A 25 -18.338 -1.280 -5.496 1.00 0.91 H new ATOM 0 HD2 PRO A 25 -16.374 0.569 -5.051 1.00 0.84 H new ATOM 0 HD3 PRO A 25 -18.066 1.012 -5.168 1.00 0.84 H new ATOM 406 N LYS A 26 -17.164 -1.828 -0.595 1.00 0.76 N ATOM 407 CA LYS A 26 -16.144 -2.560 0.219 1.00 0.68 C ATOM 408 C LYS A 26 -15.239 -3.389 -0.705 1.00 0.60 C ATOM 409 O LYS A 26 -14.070 -3.586 -0.434 1.00 0.52 O ATOM 410 CB LYS A 26 -16.964 -3.466 1.141 1.00 0.82 C ATOM 411 CG LYS A 26 -17.690 -2.607 2.177 1.00 0.93 C ATOM 412 CD LYS A 26 -18.513 -3.503 3.104 1.00 1.22 C ATOM 413 CE LYS A 26 -19.236 -2.637 4.138 1.00 1.61 C ATOM 414 NZ LYS A 26 -19.709 -3.592 5.177 1.00 2.00 N ATOM 0 H LYS A 26 -18.133 -2.016 -0.338 1.00 0.76 H new ATOM 0 HA LYS A 26 -15.492 -1.893 0.783 1.00 0.68 H new ATOM 0 HB2 LYS A 26 -17.684 -4.041 0.559 1.00 0.82 H new ATOM 0 HB3 LYS A 26 -16.312 -4.184 1.639 1.00 0.82 H new ATOM 0 HG2 LYS A 26 -16.968 -2.032 2.757 1.00 0.93 H new ATOM 0 HG3 LYS A 26 -18.341 -1.889 1.677 1.00 0.93 H new ATOM 0 HD2 LYS A 26 -19.236 -4.077 2.525 1.00 1.22 H new ATOM 0 HD3 LYS A 26 -17.863 -4.221 3.605 1.00 1.22 H new ATOM 0 HE2 LYS A 26 -18.567 -1.890 4.564 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -20.070 -2.098 3.688 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -20.215 -3.072 5.922 1.00 2.00 H new ATOM 0 HZ2 LYS A 26 -20.350 -4.287 4.744 1.00 2.00 H new ATOM 0 HZ3 LYS A 26 -18.893 -4.085 5.593 1.00 2.00 H new ATOM 428 N GLU A 27 -15.781 -3.866 -1.799 1.00 0.66 N ATOM 429 CA GLU A 27 -14.968 -4.679 -2.756 1.00 0.65 C ATOM 430 C GLU A 27 -13.779 -3.864 -3.279 1.00 0.56 C ATOM 431 O GLU A 27 -12.687 -4.383 -3.421 1.00 0.55 O ATOM 432 CB GLU A 27 -15.918 -5.040 -3.898 1.00 0.78 C ATOM 433 CG GLU A 27 -16.933 -6.071 -3.403 1.00 1.25 C ATOM 434 CD GLU A 27 -18.027 -6.258 -4.455 1.00 1.61 C ATOM 435 OE1 GLU A 27 -17.846 -7.092 -5.327 1.00 2.08 O ATOM 436 OE2 GLU A 27 -19.026 -5.564 -4.372 1.00 2.22 O ATOM 0 H GLU A 27 -16.754 -3.727 -2.071 1.00 0.66 H new ATOM 0 HA GLU A 27 -14.555 -5.569 -2.281 1.00 0.65 H new ATOM 0 HB2 GLU A 27 -16.433 -4.148 -4.254 1.00 0.78 H new ATOM 0 HB3 GLU A 27 -15.356 -5.442 -4.741 1.00 0.78 H new ATOM 0 HG2 GLU A 27 -16.436 -7.021 -3.208 1.00 1.25 H new ATOM 0 HG3 GLU A 27 -17.372 -5.741 -2.461 1.00 1.25 H new ATOM 443 N ASP A 28 -13.974 -2.597 -3.563 1.00 0.53 N ATOM 444 CA ASP A 28 -12.836 -1.763 -4.070 1.00 0.49 C ATOM 445 C ASP A 28 -11.819 -1.532 -2.955 1.00 0.39 C ATOM 446 O ASP A 28 -10.623 -1.609 -3.166 1.00 0.36 O ATOM 447 CB ASP A 28 -13.458 -0.425 -4.484 1.00 0.52 C ATOM 448 CG ASP A 28 -14.051 -0.520 -5.899 1.00 0.68 C ATOM 449 OD1 ASP A 28 -13.916 -1.563 -6.521 1.00 1.46 O ATOM 450 OD2 ASP A 28 -14.614 0.466 -6.347 1.00 1.05 O ATOM 0 H ASP A 28 -14.864 -2.108 -3.467 1.00 0.53 H new ATOM 0 HA ASP A 28 -12.319 -2.248 -4.898 1.00 0.49 H new ATOM 0 HB2 ASP A 28 -14.237 -0.145 -3.775 1.00 0.52 H new ATOM 0 HB3 ASP A 28 -12.702 0.359 -4.452 1.00 0.52 H new ATOM 455 N VAL A 29 -12.291 -1.252 -1.772 1.00 0.37 N ATOM 456 CA VAL A 29 -11.365 -1.015 -0.626 1.00 0.32 C ATOM 457 C VAL A 29 -10.646 -2.319 -0.262 1.00 0.29 C ATOM 458 O VAL A 29 -9.440 -2.355 -0.104 1.00 0.27 O ATOM 459 CB VAL A 29 -12.274 -0.546 0.520 1.00 0.38 C ATOM 460 CG1 VAL A 29 -11.461 -0.364 1.808 1.00 0.57 C ATOM 461 CG2 VAL A 29 -12.922 0.785 0.133 1.00 0.65 C ATOM 0 H VAL A 29 -13.283 -1.176 -1.547 1.00 0.37 H new ATOM 0 HA VAL A 29 -10.591 -0.281 -0.851 1.00 0.32 H new ATOM 0 HB VAL A 29 -13.043 -1.298 0.695 1.00 0.38 H new ATOM 0 HG11 VAL A 29 -12.120 -0.031 2.610 1.00 0.57 H new ATOM 0 HG12 VAL A 29 -11.002 -1.313 2.085 1.00 0.57 H new ATOM 0 HG13 VAL A 29 -10.683 0.382 1.645 1.00 0.57 H new ATOM 0 HG21 VAL A 29 -13.569 1.124 0.942 1.00 0.65 H new ATOM 0 HG22 VAL A 29 -12.146 1.529 -0.047 1.00 0.65 H new ATOM 0 HG23 VAL A 29 -13.514 0.652 -0.773 1.00 0.65 H new ATOM 471 N ASP A 30 -11.389 -3.385 -0.118 1.00 0.34 N ATOM 472 CA ASP A 30 -10.772 -4.697 0.248 1.00 0.37 C ATOM 473 C ASP A 30 -9.748 -5.141 -0.804 1.00 0.34 C ATOM 474 O ASP A 30 -8.654 -5.560 -0.476 1.00 0.34 O ATOM 475 CB ASP A 30 -11.942 -5.685 0.302 1.00 0.45 C ATOM 476 CG ASP A 30 -12.832 -5.377 1.512 1.00 0.51 C ATOM 477 OD1 ASP A 30 -12.331 -4.807 2.469 1.00 1.02 O ATOM 478 OD2 ASP A 30 -14.002 -5.721 1.461 1.00 1.33 O ATOM 0 H ASP A 30 -12.402 -3.405 -0.239 1.00 0.34 H new ATOM 0 HA ASP A 30 -10.235 -4.637 1.194 1.00 0.37 H new ATOM 0 HB2 ASP A 30 -12.526 -5.620 -0.616 1.00 0.45 H new ATOM 0 HB3 ASP A 30 -11.565 -6.705 0.368 1.00 0.45 H new ATOM 483 N ALA A 31 -10.099 -5.065 -2.065 1.00 0.36 N ATOM 484 CA ALA A 31 -9.149 -5.497 -3.137 1.00 0.38 C ATOM 485 C ALA A 31 -7.876 -4.651 -3.106 1.00 0.33 C ATOM 486 O ALA A 31 -6.777 -5.174 -3.154 1.00 0.36 O ATOM 487 CB ALA A 31 -9.904 -5.304 -4.455 1.00 0.46 C ATOM 0 H ALA A 31 -11.001 -4.723 -2.397 1.00 0.36 H new ATOM 0 HA ALA A 31 -8.833 -6.532 -3.004 1.00 0.38 H new ATOM 0 HB1 ALA A 31 -9.266 -5.602 -5.287 1.00 0.46 H new ATOM 0 HB2 ALA A 31 -10.805 -5.917 -4.451 1.00 0.46 H new ATOM 0 HB3 ALA A 31 -10.179 -4.255 -4.566 1.00 0.46 H new ATOM 493 N ALA A 32 -8.012 -3.353 -3.033 1.00 0.32 N ATOM 494 CA ALA A 32 -6.798 -2.477 -3.007 1.00 0.34 C ATOM 495 C ALA A 32 -5.988 -2.733 -1.736 1.00 0.31 C ATOM 496 O ALA A 32 -4.780 -2.875 -1.787 1.00 0.36 O ATOM 497 CB ALA A 32 -7.325 -1.041 -3.037 1.00 0.39 C ATOM 0 H ALA A 32 -8.905 -2.861 -2.990 1.00 0.32 H new ATOM 0 HA ALA A 32 -6.135 -2.674 -3.849 1.00 0.34 H new ATOM 0 HB1 ALA A 32 -6.486 -0.345 -3.020 1.00 0.39 H new ATOM 0 HB2 ALA A 32 -7.907 -0.886 -3.946 1.00 0.39 H new ATOM 0 HB3 ALA A 32 -7.958 -0.868 -2.167 1.00 0.39 H new ATOM 503 N VAL A 33 -6.638 -2.817 -0.599 1.00 0.26 N ATOM 504 CA VAL A 33 -5.889 -3.091 0.666 1.00 0.29 C ATOM 505 C VAL A 33 -5.270 -4.493 0.558 1.00 0.31 C ATOM 506 O VAL A 33 -4.138 -4.709 0.950 1.00 0.35 O ATOM 507 CB VAL A 33 -6.933 -2.920 1.806 1.00 0.31 C ATOM 508 CG1 VAL A 33 -7.580 -4.246 2.251 1.00 0.55 C ATOM 509 CG2 VAL A 33 -6.247 -2.275 3.012 1.00 0.57 C ATOM 0 H VAL A 33 -7.647 -2.708 -0.494 1.00 0.26 H new ATOM 0 HA VAL A 33 -5.054 -2.419 0.865 1.00 0.29 H new ATOM 0 HB VAL A 33 -7.733 -2.293 1.413 1.00 0.31 H new ATOM 0 HG11 VAL A 33 -8.297 -4.051 3.048 1.00 0.55 H new ATOM 0 HG12 VAL A 33 -8.093 -4.702 1.405 1.00 0.55 H new ATOM 0 HG13 VAL A 33 -6.808 -4.923 2.615 1.00 0.55 H new ATOM 0 HG21 VAL A 33 -6.970 -2.150 3.818 1.00 0.57 H new ATOM 0 HG22 VAL A 33 -5.432 -2.914 3.352 1.00 0.57 H new ATOM 0 HG23 VAL A 33 -5.850 -1.301 2.727 1.00 0.57 H new ATOM 519 N LYS A 34 -5.987 -5.432 -0.026 1.00 0.30 N ATOM 520 CA LYS A 34 -5.413 -6.802 -0.219 1.00 0.34 C ATOM 521 C LYS A 34 -4.157 -6.673 -1.085 1.00 0.35 C ATOM 522 O LYS A 34 -3.116 -7.226 -0.789 1.00 0.38 O ATOM 523 CB LYS A 34 -6.491 -7.608 -0.953 1.00 0.35 C ATOM 524 CG LYS A 34 -6.007 -9.049 -1.145 1.00 1.04 C ATOM 525 CD LYS A 34 -7.070 -9.854 -1.897 1.00 1.51 C ATOM 526 CE LYS A 34 -8.244 -10.156 -0.962 1.00 2.23 C ATOM 527 NZ LYS A 34 -9.143 -11.046 -1.748 1.00 2.82 N ATOM 0 H LYS A 34 -6.938 -5.307 -0.374 1.00 0.30 H new ATOM 0 HA LYS A 34 -5.141 -7.287 0.719 1.00 0.34 H new ATOM 0 HB2 LYS A 34 -7.420 -7.598 -0.383 1.00 0.35 H new ATOM 0 HB3 LYS A 34 -6.706 -7.153 -1.920 1.00 0.35 H new ATOM 0 HG2 LYS A 34 -5.070 -9.057 -1.701 1.00 1.04 H new ATOM 0 HG3 LYS A 34 -5.807 -9.508 -0.177 1.00 1.04 H new ATOM 0 HD2 LYS A 34 -7.418 -9.294 -2.765 1.00 1.51 H new ATOM 0 HD3 LYS A 34 -6.640 -10.784 -2.269 1.00 1.51 H new ATOM 0 HE2 LYS A 34 -7.905 -10.644 -0.048 1.00 2.23 H new ATOM 0 HE3 LYS A 34 -8.756 -9.241 -0.664 1.00 2.23 H new ATOM 0 HZ1 LYS A 34 -9.972 -11.297 -1.173 1.00 2.82 H new ATOM 0 HZ2 LYS A 34 -9.455 -10.552 -2.608 1.00 2.82 H new ATOM 0 HZ3 LYS A 34 -8.630 -11.911 -2.012 1.00 2.82 H new ATOM 541 N GLN A 35 -4.262 -5.906 -2.143 1.00 0.36 N ATOM 542 CA GLN A 35 -3.090 -5.679 -3.041 1.00 0.40 C ATOM 543 C GLN A 35 -2.002 -4.958 -2.249 1.00 0.41 C ATOM 544 O GLN A 35 -0.834 -5.278 -2.319 1.00 0.40 O ATOM 545 CB GLN A 35 -3.616 -4.764 -4.154 1.00 0.47 C ATOM 546 CG GLN A 35 -2.683 -4.829 -5.365 1.00 0.56 C ATOM 547 CD GLN A 35 -2.691 -6.244 -5.950 1.00 1.04 C ATOM 548 OE1 GLN A 35 -3.733 -6.764 -6.298 1.00 1.73 O ATOM 549 NE2 GLN A 35 -1.565 -6.892 -6.077 1.00 1.71 N ATOM 0 H GLN A 35 -5.116 -5.425 -2.424 1.00 0.36 H new ATOM 0 HA GLN A 35 -2.672 -6.604 -3.439 1.00 0.40 H new ATOM 0 HB2 GLN A 35 -4.622 -5.069 -4.442 1.00 0.47 H new ATOM 0 HB3 GLN A 35 -3.685 -3.738 -3.792 1.00 0.47 H new ATOM 0 HG2 GLN A 35 -3.002 -4.111 -6.121 1.00 0.56 H new ATOM 0 HG3 GLN A 35 -1.670 -4.553 -5.071 1.00 0.56 H new ATOM 0 HE21 GLN A 35 -0.690 -6.456 -5.785 1.00 1.71 H new ATOM 0 HE22 GLN A 35 -1.560 -7.834 -6.468 1.00 1.71 H new ATOM 558 N LEU A 36 -2.407 -3.985 -1.485 1.00 0.47 N ATOM 559 CA LEU A 36 -1.446 -3.209 -0.646 1.00 0.55 C ATOM 560 C LEU A 36 -0.731 -4.144 0.338 1.00 0.52 C ATOM 561 O LEU A 36 0.466 -4.047 0.536 1.00 0.53 O ATOM 562 CB LEU A 36 -2.335 -2.170 0.060 1.00 0.72 C ATOM 563 CG LEU A 36 -1.605 -1.474 1.214 1.00 0.59 C ATOM 564 CD1 LEU A 36 -0.290 -0.855 0.725 1.00 1.53 C ATOM 565 CD2 LEU A 36 -2.496 -0.366 1.782 1.00 1.26 C ATOM 0 H LEU A 36 -3.379 -3.687 -1.403 1.00 0.47 H new ATOM 0 HA LEU A 36 -0.649 -2.730 -1.214 1.00 0.55 H new ATOM 0 HB2 LEU A 36 -2.663 -1.423 -0.663 1.00 0.72 H new ATOM 0 HB3 LEU A 36 -3.231 -2.660 0.441 1.00 0.72 H new ATOM 0 HG LEU A 36 -1.385 -2.213 1.984 1.00 0.59 H new ATOM 0 HD11 LEU A 36 0.214 -0.365 1.558 1.00 1.53 H new ATOM 0 HD12 LEU A 36 0.353 -1.638 0.322 1.00 1.53 H new ATOM 0 HD13 LEU A 36 -0.500 -0.121 -0.053 1.00 1.53 H new ATOM 0 HD21 LEU A 36 -1.980 0.131 2.603 1.00 1.26 H new ATOM 0 HD22 LEU A 36 -2.717 0.360 1.000 1.00 1.26 H new ATOM 0 HD23 LEU A 36 -3.427 -0.799 2.148 1.00 1.26 H new ATOM 577 N LEU A 37 -1.453 -5.052 0.944 1.00 0.51 N ATOM 578 CA LEU A 37 -0.814 -6.001 1.907 1.00 0.53 C ATOM 579 C LEU A 37 0.268 -6.823 1.206 1.00 0.47 C ATOM 580 O LEU A 37 1.316 -7.081 1.767 1.00 0.48 O ATOM 581 CB LEU A 37 -1.941 -6.891 2.415 1.00 0.59 C ATOM 582 CG LEU A 37 -2.649 -6.194 3.580 1.00 0.75 C ATOM 583 CD1 LEU A 37 -4.139 -6.527 3.545 1.00 1.36 C ATOM 584 CD2 LEU A 37 -2.055 -6.680 4.903 1.00 1.24 C ATOM 0 H LEU A 37 -2.457 -5.178 0.814 1.00 0.51 H new ATOM 0 HA LEU A 37 -0.323 -5.480 2.729 1.00 0.53 H new ATOM 0 HB2 LEU A 37 -2.650 -7.094 1.612 1.00 0.59 H new ATOM 0 HB3 LEU A 37 -1.543 -7.853 2.739 1.00 0.59 H new ATOM 0 HG LEU A 37 -2.513 -5.116 3.492 1.00 0.75 H new ATOM 0 HD11 LEU A 37 -4.642 -6.031 4.375 1.00 1.36 H new ATOM 0 HD12 LEU A 37 -4.567 -6.183 2.603 1.00 1.36 H new ATOM 0 HD13 LEU A 37 -4.273 -7.605 3.632 1.00 1.36 H new ATOM 0 HD21 LEU A 37 -2.559 -6.184 5.732 1.00 1.24 H new ATOM 0 HD22 LEU A 37 -2.191 -7.758 4.989 1.00 1.24 H new ATOM 0 HD23 LEU A 37 -0.991 -6.445 4.932 1.00 1.24 H new ATOM 596 N SER A 38 0.033 -7.225 -0.022 1.00 0.41 N ATOM 597 CA SER A 38 1.068 -8.020 -0.759 1.00 0.39 C ATOM 598 C SER A 38 2.352 -7.196 -0.875 1.00 0.37 C ATOM 599 O SER A 38 3.447 -7.714 -0.763 1.00 0.37 O ATOM 600 CB SER A 38 0.473 -8.294 -2.145 1.00 0.42 C ATOM 601 OG SER A 38 0.617 -7.142 -2.966 1.00 1.31 O ATOM 0 H SER A 38 -0.824 -7.039 -0.542 1.00 0.41 H new ATOM 0 HA SER A 38 1.318 -8.950 -0.249 1.00 0.39 H new ATOM 0 HB2 SER A 38 0.975 -9.145 -2.605 1.00 0.42 H new ATOM 0 HB3 SER A 38 -0.581 -8.557 -2.053 1.00 0.42 H new ATOM 0 HG SER A 38 -0.230 -6.649 -2.989 1.00 1.31 H new ATOM 607 N LEU A 39 2.217 -5.908 -1.079 1.00 0.39 N ATOM 608 CA LEU A 39 3.424 -5.031 -1.181 1.00 0.43 C ATOM 609 C LEU A 39 4.180 -5.085 0.147 1.00 0.44 C ATOM 610 O LEU A 39 5.355 -5.390 0.202 1.00 0.42 O ATOM 611 CB LEU A 39 2.877 -3.616 -1.425 1.00 0.54 C ATOM 612 CG LEU A 39 2.013 -3.578 -2.696 1.00 0.57 C ATOM 613 CD1 LEU A 39 1.514 -2.148 -2.926 1.00 0.72 C ATOM 614 CD2 LEU A 39 2.840 -4.036 -3.905 1.00 0.61 C ATOM 0 H LEU A 39 1.323 -5.427 -1.179 1.00 0.39 H new ATOM 0 HA LEU A 39 4.106 -5.336 -1.975 1.00 0.43 H new ATOM 0 HB2 LEU A 39 2.285 -3.297 -0.567 1.00 0.54 H new ATOM 0 HB3 LEU A 39 3.704 -2.913 -1.521 1.00 0.54 H new ATOM 0 HG LEU A 39 1.162 -4.248 -2.574 1.00 0.57 H new ATOM 0 HD11 LEU A 39 0.901 -2.117 -3.827 1.00 0.72 H new ATOM 0 HD12 LEU A 39 0.919 -1.828 -2.071 1.00 0.72 H new ATOM 0 HD13 LEU A 39 2.367 -1.480 -3.045 1.00 0.72 H new ATOM 0 HD21 LEU A 39 2.221 -4.006 -4.802 1.00 0.61 H new ATOM 0 HD22 LEU A 39 3.696 -3.373 -4.033 1.00 0.61 H new ATOM 0 HD23 LEU A 39 3.192 -5.055 -3.740 1.00 0.61 H new ATOM 626 N LYS A 40 3.480 -4.826 1.218 1.00 0.55 N ATOM 627 CA LYS A 40 4.097 -4.898 2.576 1.00 0.65 C ATOM 628 C LYS A 40 4.603 -6.318 2.828 1.00 0.60 C ATOM 629 O LYS A 40 5.644 -6.524 3.422 1.00 0.64 O ATOM 630 CB LYS A 40 2.970 -4.531 3.544 1.00 0.85 C ATOM 631 CG LYS A 40 3.479 -4.591 4.981 1.00 1.33 C ATOM 632 CD LYS A 40 2.347 -4.220 5.938 1.00 1.42 C ATOM 633 CE LYS A 40 2.858 -4.287 7.377 1.00 2.23 C ATOM 634 NZ LYS A 40 1.715 -3.824 8.211 1.00 2.38 N ATOM 0 H LYS A 40 2.494 -4.564 1.211 1.00 0.55 H new ATOM 0 HA LYS A 40 4.950 -4.230 2.693 1.00 0.65 H new ATOM 0 HB2 LYS A 40 2.600 -3.530 3.322 1.00 0.85 H new ATOM 0 HB3 LYS A 40 2.132 -5.217 3.417 1.00 0.85 H new ATOM 0 HG2 LYS A 40 3.847 -5.592 5.206 1.00 1.33 H new ATOM 0 HG3 LYS A 40 4.318 -3.907 5.110 1.00 1.33 H new ATOM 0 HD2 LYS A 40 1.982 -3.217 5.716 1.00 1.42 H new ATOM 0 HD3 LYS A 40 1.506 -4.901 5.807 1.00 1.42 H new ATOM 0 HE2 LYS A 40 3.156 -5.301 7.644 1.00 2.23 H new ATOM 0 HE3 LYS A 40 3.732 -3.651 7.516 1.00 2.23 H new ATOM 0 HZ1 LYS A 40 1.988 -3.842 9.214 1.00 2.38 H new ATOM 0 HZ2 LYS A 40 1.458 -2.854 7.939 1.00 2.38 H new ATOM 0 HZ3 LYS A 40 0.900 -4.453 8.063 1.00 2.38 H new ATOM 648 N ALA A 41 3.860 -7.299 2.378 1.00 0.59 N ATOM 649 CA ALA A 41 4.275 -8.719 2.586 1.00 0.64 C ATOM 650 C ALA A 41 5.635 -8.961 1.932 1.00 0.59 C ATOM 651 O ALA A 41 6.508 -9.570 2.521 1.00 0.67 O ATOM 652 CB ALA A 41 3.199 -9.558 1.899 1.00 0.69 C ATOM 0 H ALA A 41 2.982 -7.176 1.874 1.00 0.59 H new ATOM 0 HA ALA A 41 4.371 -8.971 3.642 1.00 0.64 H new ATOM 0 HB1 ALA A 41 3.437 -10.616 2.010 1.00 0.69 H new ATOM 0 HB2 ALA A 41 2.231 -9.353 2.356 1.00 0.69 H new ATOM 0 HB3 ALA A 41 3.161 -9.304 0.840 1.00 0.69 H new ATOM 658 N GLU A 42 5.838 -8.459 0.734 1.00 0.52 N ATOM 659 CA GLU A 42 7.168 -8.634 0.071 1.00 0.59 C ATOM 660 C GLU A 42 8.239 -7.985 0.947 1.00 0.61 C ATOM 661 O GLU A 42 9.283 -8.550 1.209 1.00 0.73 O ATOM 662 CB GLU A 42 7.052 -7.907 -1.270 1.00 0.61 C ATOM 663 CG GLU A 42 6.136 -8.697 -2.205 1.00 0.68 C ATOM 664 CD GLU A 42 6.836 -9.993 -2.622 1.00 1.22 C ATOM 665 OE1 GLU A 42 7.976 -9.915 -3.051 1.00 1.90 O ATOM 666 OE2 GLU A 42 6.224 -11.041 -2.501 1.00 1.79 O ATOM 0 H GLU A 42 5.146 -7.941 0.193 1.00 0.52 H new ATOM 0 HA GLU A 42 7.439 -9.680 -0.073 1.00 0.59 H new ATOM 0 HB2 GLU A 42 6.655 -6.904 -1.118 1.00 0.61 H new ATOM 0 HB3 GLU A 42 8.038 -7.794 -1.720 1.00 0.61 H new ATOM 0 HG2 GLU A 42 5.194 -8.923 -1.705 1.00 0.68 H new ATOM 0 HG3 GLU A 42 5.894 -8.101 -3.085 1.00 0.68 H new ATOM 673 N TYR A 43 7.952 -6.804 1.423 1.00 0.56 N ATOM 674 CA TYR A 43 8.906 -6.088 2.321 1.00 0.66 C ATOM 675 C TYR A 43 9.162 -6.917 3.587 1.00 0.73 C ATOM 676 O TYR A 43 10.279 -7.037 4.051 1.00 0.86 O ATOM 677 CB TYR A 43 8.202 -4.770 2.674 1.00 0.69 C ATOM 678 CG TYR A 43 8.783 -3.639 1.860 1.00 0.83 C ATOM 679 CD1 TYR A 43 10.159 -3.390 1.896 1.00 1.42 C ATOM 680 CD2 TYR A 43 7.946 -2.834 1.077 1.00 1.68 C ATOM 681 CE1 TYR A 43 10.700 -2.338 1.149 1.00 1.65 C ATOM 682 CE2 TYR A 43 8.487 -1.779 0.332 1.00 1.98 C ATOM 683 CZ TYR A 43 9.865 -1.532 0.368 1.00 1.59 C ATOM 684 OH TYR A 43 10.399 -0.493 -0.366 1.00 2.03 O ATOM 0 H TYR A 43 7.088 -6.298 1.226 1.00 0.56 H new ATOM 0 HA TYR A 43 9.874 -5.920 1.849 1.00 0.66 H new ATOM 0 HB2 TYR A 43 7.133 -4.856 2.480 1.00 0.69 H new ATOM 0 HB3 TYR A 43 8.317 -4.560 3.737 1.00 0.69 H new ATOM 0 HD1 TYR A 43 10.804 -4.010 2.501 1.00 1.42 H new ATOM 0 HD2 TYR A 43 6.884 -3.027 1.048 1.00 1.68 H new ATOM 0 HE1 TYR A 43 11.763 -2.148 1.175 1.00 1.65 H new ATOM 0 HE2 TYR A 43 7.842 -1.156 -0.270 1.00 1.98 H new ATOM 0 HH TYR A 43 10.799 0.164 0.241 1.00 2.03 H new ATOM 694 N LYS A 44 8.119 -7.474 4.150 1.00 0.73 N ATOM 695 CA LYS A 44 8.257 -8.289 5.401 1.00 0.89 C ATOM 696 C LYS A 44 9.177 -9.502 5.193 1.00 0.98 C ATOM 697 O LYS A 44 9.796 -9.978 6.126 1.00 1.13 O ATOM 698 CB LYS A 44 6.836 -8.751 5.751 1.00 0.95 C ATOM 699 CG LYS A 44 6.873 -9.598 7.030 1.00 1.37 C ATOM 700 CD LYS A 44 5.480 -10.150 7.328 1.00 1.45 C ATOM 701 CE LYS A 44 5.562 -11.103 8.525 1.00 2.00 C ATOM 702 NZ LYS A 44 4.152 -11.472 8.826 1.00 2.12 N ATOM 0 H LYS A 44 7.166 -7.399 3.794 1.00 0.73 H new ATOM 0 HA LYS A 44 8.708 -7.700 6.199 1.00 0.89 H new ATOM 0 HB2 LYS A 44 6.186 -7.887 5.893 1.00 0.95 H new ATOM 0 HB3 LYS A 44 6.419 -9.333 4.929 1.00 0.95 H new ATOM 0 HG2 LYS A 44 7.581 -10.418 6.913 1.00 1.37 H new ATOM 0 HG3 LYS A 44 7.221 -8.993 7.867 1.00 1.37 H new ATOM 0 HD2 LYS A 44 4.791 -9.334 7.544 1.00 1.45 H new ATOM 0 HD3 LYS A 44 5.089 -10.675 6.456 1.00 1.45 H new ATOM 0 HE2 LYS A 44 6.158 -11.984 8.287 1.00 2.00 H new ATOM 0 HE3 LYS A 44 6.034 -10.621 9.381 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 4.129 -12.124 9.636 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 3.610 -10.615 9.056 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 3.730 -11.936 7.996 1.00 2.12 H new ATOM 716 N GLU A 45 9.245 -10.024 3.996 1.00 0.96 N ATOM 717 CA GLU A 45 10.099 -11.231 3.749 1.00 1.12 C ATOM 718 C GLU A 45 11.549 -10.980 4.173 1.00 1.23 C ATOM 719 O GLU A 45 12.194 -11.851 4.730 1.00 1.40 O ATOM 720 CB GLU A 45 10.020 -11.475 2.241 1.00 1.12 C ATOM 721 CG GLU A 45 8.618 -11.974 1.875 1.00 1.13 C ATOM 722 CD GLU A 45 8.441 -11.994 0.349 1.00 1.70 C ATOM 723 OE1 GLU A 45 9.415 -11.770 -0.356 1.00 2.07 O ATOM 724 OE2 GLU A 45 7.327 -12.229 -0.091 1.00 2.41 O ATOM 0 H GLU A 45 8.748 -9.670 3.178 1.00 0.96 H new ATOM 0 HA GLU A 45 9.754 -12.089 4.326 1.00 1.12 H new ATOM 0 HB2 GLU A 45 10.242 -10.554 1.701 1.00 1.12 H new ATOM 0 HB3 GLU A 45 10.768 -12.209 1.941 1.00 1.12 H new ATOM 0 HG2 GLU A 45 8.464 -12.975 2.279 1.00 1.13 H new ATOM 0 HG3 GLU A 45 7.865 -11.328 2.327 1.00 1.13 H new ATOM 731 N LYS A 46 12.068 -9.810 3.913 1.00 1.19 N ATOM 732 CA LYS A 46 13.483 -9.520 4.301 1.00 1.38 C ATOM 733 C LYS A 46 13.627 -9.455 5.829 1.00 1.48 C ATOM 734 O LYS A 46 14.305 -10.269 6.428 1.00 1.64 O ATOM 735 CB LYS A 46 13.787 -8.159 3.675 1.00 1.36 C ATOM 736 CG LYS A 46 13.678 -8.270 2.153 1.00 1.34 C ATOM 737 CD LYS A 46 13.980 -6.913 1.519 1.00 1.84 C ATOM 738 CE LYS A 46 13.871 -7.021 -0.004 1.00 1.81 C ATOM 739 NZ LYS A 46 12.413 -7.154 -0.282 1.00 2.31 N ATOM 0 H LYS A 46 11.578 -9.044 3.451 1.00 1.19 H new ATOM 0 HA LYS A 46 14.169 -10.295 3.959 1.00 1.38 H new ATOM 0 HB2 LYS A 46 13.089 -7.410 4.048 1.00 1.36 H new ATOM 0 HB3 LYS A 46 14.787 -7.831 3.957 1.00 1.36 H new ATOM 0 HG2 LYS A 46 14.376 -9.020 1.782 1.00 1.34 H new ATOM 0 HG3 LYS A 46 12.678 -8.599 1.873 1.00 1.34 H new ATOM 0 HD2 LYS A 46 13.282 -6.163 1.891 1.00 1.84 H new ATOM 0 HD3 LYS A 46 14.981 -6.584 1.799 1.00 1.84 H new ATOM 0 HE2 LYS A 46 14.286 -6.139 -0.492 1.00 1.81 H new ATOM 0 HE3 LYS A 46 14.424 -7.883 -0.378 1.00 1.81 H new ATOM 0 HZ1 LYS A 46 12.216 -6.848 -1.256 1.00 2.31 H new ATOM 0 HZ2 LYS A 46 12.127 -8.147 -0.166 1.00 2.31 H new ATOM 0 HZ3 LYS A 46 11.877 -6.560 0.382 1.00 2.31 H new ATOM 753 N THR A 47 12.990 -8.498 6.462 1.00 1.46 N ATOM 754 CA THR A 47 13.086 -8.388 7.953 1.00 1.61 C ATOM 755 C THR A 47 12.007 -7.438 8.507 1.00 1.64 C ATOM 756 O THR A 47 12.229 -6.749 9.484 1.00 1.83 O ATOM 757 CB THR A 47 14.501 -7.852 8.227 1.00 1.71 C ATOM 758 OG1 THR A 47 14.750 -7.870 9.625 1.00 2.51 O ATOM 759 CG2 THR A 47 14.647 -6.421 7.697 1.00 1.98 C ATOM 0 H THR A 47 12.409 -7.790 6.012 1.00 1.46 H new ATOM 0 HA THR A 47 12.919 -9.346 8.445 1.00 1.61 H new ATOM 0 HB THR A 47 15.223 -8.488 7.715 1.00 1.71 H new ATOM 0 HG1 THR A 47 13.980 -7.492 10.099 1.00 2.51 H new ATOM 0 HG21 THR A 47 15.655 -6.059 7.900 1.00 1.98 H new ATOM 0 HG22 THR A 47 14.468 -6.411 6.622 1.00 1.98 H new ATOM 0 HG23 THR A 47 13.922 -5.774 8.192 1.00 1.98 H new ATOM 767 N GLY A 48 10.854 -7.388 7.887 1.00 1.53 N ATOM 768 CA GLY A 48 9.774 -6.471 8.373 1.00 1.65 C ATOM 769 C GLY A 48 10.125 -5.016 8.052 1.00 1.57 C ATOM 770 O GLY A 48 10.426 -4.235 8.935 1.00 1.86 O ATOM 0 H GLY A 48 10.613 -7.942 7.065 1.00 1.53 H new ATOM 0 HA2 GLY A 48 8.826 -6.735 7.904 1.00 1.65 H new ATOM 0 HA3 GLY A 48 9.643 -6.591 9.448 1.00 1.65 H new ATOM 774 N GLN A 49 10.083 -4.647 6.796 1.00 1.30 N ATOM 775 CA GLN A 49 10.407 -3.240 6.411 1.00 1.38 C ATOM 776 C GLN A 49 9.161 -2.355 6.523 1.00 1.33 C ATOM 777 O GLN A 49 9.271 -1.173 6.751 1.00 1.59 O ATOM 778 CB GLN A 49 10.863 -3.319 4.953 1.00 1.34 C ATOM 779 CG GLN A 49 12.218 -4.019 4.876 1.00 1.56 C ATOM 780 CD GLN A 49 13.283 -3.150 5.550 1.00 2.10 C ATOM 781 OE1 GLN A 49 13.716 -3.473 6.737 1.00 2.70 O flip ATOM 782 NE2 GLN A 49 13.721 -2.163 4.993 1.00 2.50 N flip ATOM 0 H GLN A 49 9.838 -5.261 6.020 1.00 1.30 H new ATOM 0 HA GLN A 49 11.169 -2.807 7.059 1.00 1.38 H new ATOM 0 HB2 GLN A 49 10.127 -3.863 4.361 1.00 1.34 H new ATOM 0 HB3 GLN A 49 10.936 -2.317 4.530 1.00 1.34 H new ATOM 0 HG2 GLN A 49 12.165 -4.992 5.365 1.00 1.56 H new ATOM 0 HG3 GLN A 49 12.487 -4.200 3.835 1.00 1.56 H new ATOM 0 HE21 GLN A 49 13.383 -1.909 4.065 1.00 2.50 H new ATOM 0 HE22 GLN A 49 14.426 -1.588 5.454 1.00 2.50 H new ATOM 791 N GLU A 50 7.990 -2.940 6.356 1.00 1.22 N ATOM 792 CA GLU A 50 6.680 -2.192 6.425 1.00 1.34 C ATOM 793 C GLU A 50 6.743 -0.799 5.764 1.00 1.37 C ATOM 794 O GLU A 50 7.433 0.103 6.192 1.00 1.68 O ATOM 795 CB GLU A 50 6.300 -2.118 7.917 1.00 1.52 C ATOM 796 CG GLU A 50 7.225 -1.183 8.705 1.00 1.63 C ATOM 797 CD GLU A 50 6.759 -1.133 10.162 1.00 1.95 C ATOM 798 OE1 GLU A 50 5.573 -0.942 10.378 1.00 2.37 O ATOM 799 OE2 GLU A 50 7.595 -1.285 11.037 1.00 2.32 O ATOM 0 H GLU A 50 7.885 -3.937 6.169 1.00 1.22 H new ATOM 0 HA GLU A 50 5.915 -2.718 5.854 1.00 1.34 H new ATOM 0 HB2 GLU A 50 5.271 -1.772 8.011 1.00 1.52 H new ATOM 0 HB3 GLU A 50 6.341 -3.117 8.351 1.00 1.52 H new ATOM 0 HG2 GLU A 50 8.254 -1.538 8.651 1.00 1.63 H new ATOM 0 HG3 GLU A 50 7.209 -0.184 8.270 1.00 1.63 H new ATOM 806 N TYR A 51 5.999 -0.628 4.704 1.00 1.36 N ATOM 807 CA TYR A 51 5.988 0.685 3.983 1.00 1.46 C ATOM 808 C TYR A 51 5.616 1.831 4.945 1.00 1.37 C ATOM 809 O TYR A 51 4.643 1.760 5.671 1.00 1.51 O ATOM 810 CB TYR A 51 4.931 0.500 2.872 1.00 1.76 C ATOM 811 CG TYR A 51 4.477 1.836 2.326 1.00 1.54 C ATOM 812 CD1 TYR A 51 5.399 2.699 1.725 1.00 2.01 C ATOM 813 CD2 TYR A 51 3.134 2.212 2.443 1.00 1.93 C ATOM 814 CE1 TYR A 51 4.976 3.939 1.236 1.00 2.28 C ATOM 815 CE2 TYR A 51 2.712 3.451 1.956 1.00 2.22 C ATOM 816 CZ TYR A 51 3.632 4.315 1.353 1.00 2.18 C ATOM 817 OH TYR A 51 3.213 5.536 0.868 1.00 2.77 O ATOM 0 H TYR A 51 5.394 -1.344 4.302 1.00 1.36 H new ATOM 0 HA TYR A 51 6.962 0.953 3.574 1.00 1.46 H new ATOM 0 HB2 TYR A 51 5.348 -0.103 2.066 1.00 1.76 H new ATOM 0 HB3 TYR A 51 4.074 -0.045 3.268 1.00 1.76 H new ATOM 0 HD1 TYR A 51 6.436 2.408 1.639 1.00 2.01 H new ATOM 0 HD2 TYR A 51 2.425 1.545 2.910 1.00 1.93 H new ATOM 0 HE1 TYR A 51 5.685 4.606 0.769 1.00 2.28 H new ATOM 0 HE2 TYR A 51 1.676 3.742 2.045 1.00 2.22 H new ATOM 0 HH TYR A 51 2.252 5.639 1.029 1.00 2.77 H new