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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -1.12 K(o=-1.1,f=-0.24) USER MOD Single : A 12 GLN : amide:sc= -2.55 X(o=-2.6,f=-2.8) USER MOD Single : A 20 LYS NZ :NH3+ -138:sc= -0.18 (180deg=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ -111:sc= 0 (180deg=-0.0557) 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= -0.135 K(o=-0.13,f=-0.65) 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 43 TYR OH : rot 30:sc=-0.00915 USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.298) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -54:sc= 1.23 USER MOD Single : A 49 GLN : amide:sc=-0.00473 K(o=-0.0047,f=-2.1!) USER MOD Single : A 51 TYR OH : rot 30:sc= -0.0123 USER MOD ----------------------------------------------------------------- ATOM 25 N LEU A 3 13.989 1.903 -2.771 1.00 0.82 N ATOM 26 CA LEU A 3 13.051 3.010 -3.130 1.00 0.75 C ATOM 27 C LEU A 3 12.032 2.534 -4.172 1.00 0.60 C ATOM 28 O LEU A 3 10.860 2.849 -4.084 1.00 0.55 O ATOM 29 CB LEU A 3 13.945 4.118 -3.705 1.00 0.85 C ATOM 30 CG LEU A 3 13.335 5.502 -3.434 1.00 1.06 C ATOM 31 CD1 LEU A 3 11.963 5.604 -4.103 1.00 1.23 C ATOM 32 CD2 LEU A 3 13.190 5.727 -1.924 1.00 1.69 C ATOM 0 HA LEU A 3 12.476 3.357 -2.272 1.00 0.75 H new ATOM 0 HB2 LEU A 3 14.938 4.059 -3.259 1.00 0.85 H new ATOM 0 HB3 LEU A 3 14.068 3.973 -4.778 1.00 0.85 H new ATOM 0 HG LEU A 3 13.995 6.265 -3.846 1.00 1.06 H new ATOM 0 HD11 LEU A 3 11.535 6.587 -3.908 1.00 1.23 H new ATOM 0 HD12 LEU A 3 12.071 5.463 -5.178 1.00 1.23 H new ATOM 0 HD13 LEU A 3 11.304 4.835 -3.700 1.00 1.23 H new ATOM 0 HD21 LEU A 3 12.757 6.711 -1.743 1.00 1.69 H new ATOM 0 HD22 LEU A 3 12.539 4.961 -1.503 1.00 1.69 H new ATOM 0 HD23 LEU A 3 14.171 5.670 -1.452 1.00 1.69 H new ATOM 44 N VAL A 4 12.459 1.765 -5.149 1.00 0.64 N ATOM 45 CA VAL A 4 11.494 1.263 -6.184 1.00 0.67 C ATOM 46 C VAL A 4 10.405 0.429 -5.493 1.00 0.58 C ATOM 47 O VAL A 4 9.224 0.640 -5.697 1.00 0.52 O ATOM 48 CB VAL A 4 12.328 0.392 -7.136 1.00 0.91 C ATOM 49 CG1 VAL A 4 11.417 -0.282 -8.169 1.00 1.52 C ATOM 50 CG2 VAL A 4 13.350 1.267 -7.863 1.00 1.37 C ATOM 0 H VAL A 4 13.426 1.465 -5.274 1.00 0.64 H new ATOM 0 HA VAL A 4 10.998 2.070 -6.724 1.00 0.67 H new ATOM 0 HB VAL A 4 12.842 -0.375 -6.556 1.00 0.91 H new ATOM 0 HG11 VAL A 4 12.019 -0.897 -8.839 1.00 1.52 H new ATOM 0 HG12 VAL A 4 10.688 -0.910 -7.657 1.00 1.52 H new ATOM 0 HG13 VAL A 4 10.896 0.481 -8.747 1.00 1.52 H new ATOM 0 HG21 VAL A 4 13.942 0.650 -8.539 1.00 1.37 H new ATOM 0 HG22 VAL A 4 12.830 2.035 -8.435 1.00 1.37 H new ATOM 0 HG23 VAL A 4 14.008 1.741 -7.134 1.00 1.37 H new ATOM 60 N LEU A 5 10.803 -0.503 -4.664 1.00 0.62 N ATOM 61 CA LEU A 5 9.805 -1.346 -3.938 1.00 0.61 C ATOM 62 C LEU A 5 8.904 -0.459 -3.071 1.00 0.46 C ATOM 63 O LEU A 5 7.717 -0.698 -2.947 1.00 0.41 O ATOM 64 CB LEU A 5 10.626 -2.299 -3.063 1.00 0.77 C ATOM 65 CG LEU A 5 10.894 -3.599 -3.826 1.00 1.13 C ATOM 66 CD1 LEU A 5 12.037 -3.391 -4.821 1.00 1.92 C ATOM 67 CD2 LEU A 5 11.275 -4.701 -2.833 1.00 1.49 C ATOM 0 H LEU A 5 11.779 -0.717 -4.458 1.00 0.62 H new ATOM 0 HA LEU A 5 9.157 -1.894 -4.623 1.00 0.61 H new ATOM 0 HB2 LEU A 5 11.569 -1.829 -2.783 1.00 0.77 H new ATOM 0 HB3 LEU A 5 10.089 -2.513 -2.139 1.00 0.77 H new ATOM 0 HG LEU A 5 9.995 -3.890 -4.369 1.00 1.13 H new ATOM 0 HD11 LEU A 5 12.223 -4.320 -5.361 1.00 1.92 H new ATOM 0 HD12 LEU A 5 11.765 -2.608 -5.529 1.00 1.92 H new ATOM 0 HD13 LEU A 5 12.938 -3.097 -4.283 1.00 1.92 H new ATOM 0 HD21 LEU A 5 11.466 -5.628 -3.374 1.00 1.49 H new ATOM 0 HD22 LEU A 5 12.172 -4.406 -2.289 1.00 1.49 H new ATOM 0 HD23 LEU A 5 10.458 -4.854 -2.128 1.00 1.49 H new ATOM 79 N TYR A 6 9.466 0.560 -2.468 1.00 0.44 N ATOM 80 CA TYR A 6 8.654 1.469 -1.598 1.00 0.41 C ATOM 81 C TYR A 6 7.532 2.117 -2.415 1.00 0.32 C ATOM 82 O TYR A 6 6.417 2.259 -1.950 1.00 0.35 O ATOM 83 CB TYR A 6 9.639 2.533 -1.092 1.00 0.54 C ATOM 84 CG TYR A 6 8.933 3.506 -0.168 1.00 1.20 C ATOM 85 CD1 TYR A 6 8.051 3.033 0.814 1.00 1.81 C ATOM 86 CD2 TYR A 6 9.166 4.882 -0.288 1.00 2.14 C ATOM 87 CE1 TYR A 6 7.405 3.929 1.668 1.00 2.57 C ATOM 88 CE2 TYR A 6 8.519 5.780 0.572 1.00 2.94 C ATOM 89 CZ TYR A 6 7.638 5.302 1.549 1.00 2.97 C ATOM 90 OH TYR A 6 7.002 6.185 2.398 1.00 3.87 O ATOM 0 H TYR A 6 10.454 0.802 -2.541 1.00 0.44 H new ATOM 0 HA TYR A 6 8.180 0.935 -0.774 1.00 0.41 H new ATOM 0 HB2 TYR A 6 10.464 2.054 -0.565 1.00 0.54 H new ATOM 0 HB3 TYR A 6 10.070 3.070 -1.937 1.00 0.54 H new ATOM 0 HD1 TYR A 6 7.871 1.972 0.910 1.00 1.81 H new ATOM 0 HD2 TYR A 6 9.844 5.251 -1.043 1.00 2.14 H new ATOM 0 HE1 TYR A 6 6.724 3.561 2.421 1.00 2.57 H new ATOM 0 HE2 TYR A 6 8.700 6.841 0.481 1.00 2.94 H new ATOM 0 HH TYR A 6 7.275 7.101 2.182 1.00 3.87 H new ATOM 100 N ASN A 7 7.819 2.502 -3.630 1.00 0.33 N ATOM 101 CA ASN A 7 6.768 3.130 -4.487 1.00 0.39 C ATOM 102 C ASN A 7 5.600 2.160 -4.689 1.00 0.35 C ATOM 103 O ASN A 7 4.451 2.557 -4.691 1.00 0.39 O ATOM 104 CB ASN A 7 7.452 3.448 -5.817 1.00 0.53 C ATOM 105 CG ASN A 7 8.385 4.645 -5.628 1.00 0.61 C ATOM 106 OD1 ASN A 7 7.981 5.669 -5.114 1.00 1.12 O ATOM 107 ND2 ASN A 7 9.626 4.559 -6.019 1.00 1.35 N ATOM 0 H ASN A 7 8.736 2.409 -4.067 1.00 0.33 H new ATOM 0 HA ASN A 7 6.355 4.030 -4.031 1.00 0.39 H new ATOM 0 HB2 ASN A 7 8.016 2.583 -6.166 1.00 0.53 H new ATOM 0 HB3 ASN A 7 6.706 3.670 -6.580 1.00 0.53 H new ATOM 0 HD21 ASN A 7 10.256 5.351 -5.893 1.00 1.35 H new ATOM 0 HD22 ASN A 7 9.966 3.700 -6.451 1.00 1.35 H new ATOM 114 N ARG A 8 5.885 0.893 -4.871 1.00 0.35 N ATOM 115 CA ARG A 8 4.781 -0.096 -5.091 1.00 0.40 C ATOM 116 C ARG A 8 3.829 -0.115 -3.890 1.00 0.33 C ATOM 117 O ARG A 8 2.629 0.012 -4.047 1.00 0.37 O ATOM 118 CB ARG A 8 5.480 -1.450 -5.233 1.00 0.48 C ATOM 119 CG ARG A 8 6.374 -1.438 -6.474 1.00 1.09 C ATOM 120 CD ARG A 8 5.503 -1.425 -7.730 1.00 1.30 C ATOM 121 NE ARG A 8 6.468 -1.375 -8.861 1.00 1.95 N ATOM 122 CZ ARG A 8 6.466 -2.318 -9.760 1.00 2.36 C ATOM 123 NH1 ARG A 8 5.686 -2.225 -10.802 1.00 2.93 N ATOM 124 NH2 ARG A 8 7.243 -3.356 -9.614 1.00 2.85 N ATOM 0 H ARG A 8 6.827 0.502 -4.877 1.00 0.35 H new ATOM 0 HA ARG A 8 4.182 0.152 -5.967 1.00 0.40 H new ATOM 0 HB2 ARG A 8 6.077 -1.658 -4.345 1.00 0.48 H new ATOM 0 HB3 ARG A 8 4.740 -2.246 -5.313 1.00 0.48 H new ATOM 0 HG2 ARG A 8 7.023 -0.562 -6.459 1.00 1.09 H new ATOM 0 HG3 ARG A 8 7.022 -2.315 -6.477 1.00 1.09 H new ATOM 0 HD2 ARG A 8 4.875 -2.314 -7.785 1.00 1.30 H new ATOM 0 HD3 ARG A 8 4.836 -0.563 -7.740 1.00 1.30 H new ATOM 0 HE ARG A 8 7.131 -0.603 -8.933 1.00 1.95 H new ATOM 0 HH11 ARG A 8 5.078 -1.414 -10.913 1.00 2.93 H new ATOM 0 HH12 ARG A 8 5.685 -2.963 -11.506 1.00 2.93 H new ATOM 0 HH21 ARG A 8 7.850 -3.428 -8.797 1.00 2.85 H new ATOM 0 HH22 ARG A 8 7.243 -4.096 -10.316 1.00 2.85 H new ATOM 138 N VAL A 9 4.351 -0.257 -2.697 1.00 0.29 N ATOM 139 CA VAL A 9 3.463 -0.266 -1.493 1.00 0.32 C ATOM 140 C VAL A 9 2.868 1.134 -1.275 1.00 0.29 C ATOM 141 O VAL A 9 1.697 1.282 -0.978 1.00 0.32 O ATOM 142 CB VAL A 9 4.346 -0.707 -0.310 1.00 0.41 C ATOM 143 CG1 VAL A 9 5.518 0.256 -0.103 1.00 0.79 C ATOM 144 CG2 VAL A 9 3.502 -0.750 0.969 1.00 1.07 C ATOM 0 H VAL A 9 5.347 -0.366 -2.505 1.00 0.29 H new ATOM 0 HA VAL A 9 2.620 -0.948 -1.606 1.00 0.32 H new ATOM 0 HB VAL A 9 4.745 -1.696 -0.535 1.00 0.41 H new ATOM 0 HG11 VAL A 9 6.122 -0.082 0.739 1.00 0.79 H new ATOM 0 HG12 VAL A 9 6.132 0.281 -1.003 1.00 0.79 H new ATOM 0 HG13 VAL A 9 5.135 1.256 0.103 1.00 0.79 H new ATOM 0 HG21 VAL A 9 4.126 -1.062 1.806 1.00 1.07 H new ATOM 0 HG22 VAL A 9 3.094 0.241 1.169 1.00 1.07 H new ATOM 0 HG23 VAL A 9 2.684 -1.460 0.842 1.00 1.07 H new ATOM 154 N ALA A 10 3.670 2.156 -1.426 1.00 0.28 N ATOM 155 CA ALA A 10 3.172 3.559 -1.237 1.00 0.34 C ATOM 156 C ALA A 10 2.039 3.884 -2.218 1.00 0.33 C ATOM 157 O ALA A 10 1.020 4.437 -1.845 1.00 0.36 O ATOM 158 CB ALA A 10 4.383 4.452 -1.516 1.00 0.42 C ATOM 0 H ALA A 10 4.657 2.082 -1.674 1.00 0.28 H new ATOM 0 HA ALA A 10 2.766 3.706 -0.236 1.00 0.34 H new ATOM 0 HB1 ALA A 10 4.099 5.498 -1.398 1.00 0.42 H new ATOM 0 HB2 ALA A 10 5.182 4.212 -0.814 1.00 0.42 H new ATOM 0 HB3 ALA A 10 4.732 4.284 -2.535 1.00 0.42 H new ATOM 164 N VAL A 11 2.228 3.570 -3.472 1.00 0.35 N ATOM 165 CA VAL A 11 1.186 3.885 -4.502 1.00 0.42 C ATOM 166 C VAL A 11 -0.139 3.180 -4.169 1.00 0.41 C ATOM 167 O VAL A 11 -1.190 3.794 -4.189 1.00 0.41 O ATOM 168 CB VAL A 11 1.791 3.383 -5.825 1.00 0.52 C ATOM 169 CG1 VAL A 11 0.752 3.423 -6.952 1.00 0.93 C ATOM 170 CG2 VAL A 11 2.973 4.282 -6.197 1.00 0.95 C ATOM 0 H VAL A 11 3.062 3.107 -3.832 1.00 0.35 H new ATOM 0 HA VAL A 11 0.944 4.947 -4.549 1.00 0.42 H new ATOM 0 HB VAL A 11 2.119 2.352 -5.695 1.00 0.52 H new ATOM 0 HG11 VAL A 11 1.204 3.063 -7.876 1.00 0.93 H new ATOM 0 HG12 VAL A 11 -0.094 2.787 -6.690 1.00 0.93 H new ATOM 0 HG13 VAL A 11 0.406 4.447 -7.092 1.00 0.93 H new ATOM 0 HG21 VAL A 11 3.412 3.937 -7.133 1.00 0.95 H new ATOM 0 HG22 VAL A 11 2.626 5.309 -6.315 1.00 0.95 H new ATOM 0 HG23 VAL A 11 3.724 4.241 -5.408 1.00 0.95 H new ATOM 180 N GLN A 12 -0.103 1.906 -3.865 1.00 0.41 N ATOM 181 CA GLN A 12 -1.374 1.184 -3.531 1.00 0.43 C ATOM 182 C GLN A 12 -2.006 1.802 -2.276 1.00 0.39 C ATOM 183 O GLN A 12 -3.164 2.174 -2.273 1.00 0.41 O ATOM 184 CB GLN A 12 -0.946 -0.266 -3.275 1.00 0.49 C ATOM 185 CG GLN A 12 -2.179 -1.152 -3.088 1.00 0.95 C ATOM 186 CD GLN A 12 -2.743 -1.536 -4.456 1.00 1.11 C ATOM 187 OE1 GLN A 12 -3.854 -1.177 -4.792 1.00 1.61 O ATOM 188 NE2 GLN A 12 -2.018 -2.258 -5.267 1.00 1.84 N ATOM 0 H GLN A 12 0.743 1.337 -3.833 1.00 0.41 H new ATOM 0 HA GLN A 12 -2.119 1.248 -4.324 1.00 0.43 H new ATOM 0 HB2 GLN A 12 -0.350 -0.631 -4.112 1.00 0.49 H new ATOM 0 HB3 GLN A 12 -0.315 -0.316 -2.388 1.00 0.49 H new ATOM 0 HG2 GLN A 12 -1.914 -2.048 -2.527 1.00 0.95 H new ATOM 0 HG3 GLN A 12 -2.935 -0.624 -2.506 1.00 0.95 H new ATOM 0 HE21 GLN A 12 -1.085 -2.560 -4.986 1.00 1.84 H new ATOM 0 HE22 GLN A 12 -2.384 -2.520 -6.182 1.00 1.84 H new ATOM 197 N GLY A 13 -1.250 1.865 -1.200 1.00 0.36 N ATOM 198 CA GLY A 13 -1.749 2.408 0.115 1.00 0.36 C ATOM 199 C GLY A 13 -2.642 3.646 -0.099 1.00 0.34 C ATOM 200 O GLY A 13 -3.765 3.708 0.362 1.00 0.34 O ATOM 0 H GLY A 13 -0.279 1.554 -1.177 1.00 0.36 H new ATOM 0 HA2 GLY A 13 -2.312 1.636 0.641 1.00 0.36 H new ATOM 0 HA3 GLY A 13 -0.902 2.672 0.748 1.00 0.36 H new ATOM 204 N ASP A 14 -2.124 4.632 -0.784 1.00 0.35 N ATOM 205 CA ASP A 14 -2.899 5.887 -1.035 1.00 0.36 C ATOM 206 C ASP A 14 -4.140 5.615 -1.887 1.00 0.33 C ATOM 207 O ASP A 14 -5.183 6.206 -1.678 1.00 0.34 O ATOM 208 CB ASP A 14 -1.939 6.813 -1.788 1.00 0.42 C ATOM 209 CG ASP A 14 -0.820 7.294 -0.854 1.00 0.48 C ATOM 210 OD1 ASP A 14 -0.974 7.171 0.352 1.00 1.12 O ATOM 211 OD2 ASP A 14 0.176 7.778 -1.365 1.00 1.00 O ATOM 0 H ASP A 14 -1.186 4.622 -1.185 1.00 0.35 H new ATOM 0 HA ASP A 14 -3.253 6.324 -0.101 1.00 0.36 H new ATOM 0 HB2 ASP A 14 -1.509 6.287 -2.641 1.00 0.42 H new ATOM 0 HB3 ASP A 14 -2.485 7.669 -2.184 1.00 0.42 H new ATOM 216 N VAL A 15 -4.031 4.743 -2.859 1.00 0.34 N ATOM 217 CA VAL A 15 -5.203 4.456 -3.746 1.00 0.35 C ATOM 218 C VAL A 15 -6.372 3.935 -2.904 1.00 0.33 C ATOM 219 O VAL A 15 -7.511 4.307 -3.120 1.00 0.32 O ATOM 220 CB VAL A 15 -4.698 3.394 -4.736 1.00 0.40 C ATOM 221 CG1 VAL A 15 -5.856 2.855 -5.586 1.00 0.45 C ATOM 222 CG2 VAL A 15 -3.647 4.025 -5.653 1.00 0.46 C ATOM 0 H VAL A 15 -3.184 4.218 -3.077 1.00 0.34 H new ATOM 0 HA VAL A 15 -5.569 5.339 -4.270 1.00 0.35 H new ATOM 0 HB VAL A 15 -4.262 2.567 -4.176 1.00 0.40 H new ATOM 0 HG11 VAL A 15 -5.479 2.104 -6.281 1.00 0.45 H new ATOM 0 HG12 VAL A 15 -6.605 2.404 -4.936 1.00 0.45 H new ATOM 0 HG13 VAL A 15 -6.308 3.674 -6.146 1.00 0.45 H new ATOM 0 HG21 VAL A 15 -3.284 3.278 -6.358 1.00 0.46 H new ATOM 0 HG22 VAL A 15 -4.093 4.855 -6.201 1.00 0.46 H new ATOM 0 HG23 VAL A 15 -2.814 4.393 -5.053 1.00 0.46 H new ATOM 232 N VAL A 16 -6.102 3.101 -1.930 1.00 0.34 N ATOM 233 CA VAL A 16 -7.206 2.589 -1.059 1.00 0.35 C ATOM 234 C VAL A 16 -7.883 3.785 -0.368 1.00 0.33 C ATOM 235 O VAL A 16 -9.090 3.934 -0.402 1.00 0.33 O ATOM 236 CB VAL A 16 -6.514 1.664 -0.042 1.00 0.41 C ATOM 237 CG1 VAL A 16 -7.491 1.257 1.075 1.00 0.70 C ATOM 238 CG2 VAL A 16 -6.012 0.411 -0.768 1.00 0.60 C ATOM 0 H VAL A 16 -5.171 2.754 -1.701 1.00 0.34 H new ATOM 0 HA VAL A 16 -7.980 2.051 -1.606 1.00 0.35 H new ATOM 0 HB VAL A 16 -5.677 2.196 0.410 1.00 0.41 H new ATOM 0 HG11 VAL A 16 -6.982 0.603 1.783 1.00 0.70 H new ATOM 0 HG12 VAL A 16 -7.843 2.149 1.593 1.00 0.70 H new ATOM 0 HG13 VAL A 16 -8.341 0.730 0.641 1.00 0.70 H new ATOM 0 HG21 VAL A 16 -5.520 -0.250 -0.055 1.00 0.60 H new ATOM 0 HG22 VAL A 16 -6.855 -0.109 -1.223 1.00 0.60 H new ATOM 0 HG23 VAL A 16 -5.303 0.700 -1.544 1.00 0.60 H new ATOM 248 N ARG A 17 -7.102 4.645 0.237 1.00 0.34 N ATOM 249 CA ARG A 17 -7.680 5.849 0.911 1.00 0.36 C ATOM 250 C ARG A 17 -8.401 6.730 -0.118 1.00 0.32 C ATOM 251 O ARG A 17 -9.456 7.275 0.145 1.00 0.33 O ATOM 252 CB ARG A 17 -6.481 6.592 1.508 1.00 0.41 C ATOM 253 CG ARG A 17 -6.976 7.759 2.364 1.00 1.01 C ATOM 254 CD ARG A 17 -5.779 8.478 2.990 1.00 1.36 C ATOM 255 NE ARG A 17 -5.089 9.141 1.849 1.00 1.99 N ATOM 256 CZ ARG A 17 -5.195 10.431 1.680 1.00 2.51 C ATOM 257 NH1 ARG A 17 -6.369 10.973 1.506 1.00 2.93 N ATOM 258 NH2 ARG A 17 -4.125 11.179 1.687 1.00 3.15 N ATOM 0 H ARG A 17 -6.087 4.565 0.293 1.00 0.34 H new ATOM 0 HA ARG A 17 -8.411 5.583 1.675 1.00 0.36 H new ATOM 0 HB2 ARG A 17 -5.883 5.911 2.114 1.00 0.41 H new ATOM 0 HB3 ARG A 17 -5.835 6.960 0.711 1.00 0.41 H new ATOM 0 HG2 ARG A 17 -7.552 8.454 1.752 1.00 1.01 H new ATOM 0 HG3 ARG A 17 -7.643 7.394 3.145 1.00 1.01 H new ATOM 0 HD2 ARG A 17 -6.101 9.207 3.734 1.00 1.36 H new ATOM 0 HD3 ARG A 17 -5.118 7.776 3.497 1.00 1.36 H new ATOM 0 HE ARG A 17 -4.533 8.586 1.199 1.00 1.99 H new ATOM 0 HH11 ARG A 17 -7.205 10.389 1.502 1.00 2.93 H new ATOM 0 HH12 ARG A 17 -6.451 11.981 1.374 1.00 2.93 H new ATOM 0 HH21 ARG A 17 -3.207 10.755 1.824 1.00 3.15 H new ATOM 0 HH22 ARG A 17 -4.207 12.187 1.555 1.00 3.15 H new ATOM 272 N GLU A 18 -7.826 6.873 -1.288 1.00 0.32 N ATOM 273 CA GLU A 18 -8.457 7.720 -2.351 1.00 0.33 C ATOM 274 C GLU A 18 -9.838 7.180 -2.713 1.00 0.30 C ATOM 275 O GLU A 18 -10.795 7.922 -2.836 1.00 0.35 O ATOM 276 CB GLU A 18 -7.519 7.610 -3.554 1.00 0.39 C ATOM 277 CG GLU A 18 -7.929 8.625 -4.628 1.00 1.06 C ATOM 278 CD GLU A 18 -6.942 8.583 -5.806 1.00 1.56 C ATOM 279 OE1 GLU A 18 -5.910 7.940 -5.681 1.00 2.23 O ATOM 280 OE2 GLU A 18 -7.236 9.200 -6.816 1.00 2.12 O ATOM 0 H GLU A 18 -6.943 6.438 -1.554 1.00 0.32 H new ATOM 0 HA GLU A 18 -8.592 8.751 -2.024 1.00 0.33 H new ATOM 0 HB2 GLU A 18 -6.490 7.792 -3.242 1.00 0.39 H new ATOM 0 HB3 GLU A 18 -7.554 6.600 -3.963 1.00 0.39 H new ATOM 0 HG2 GLU A 18 -8.936 8.404 -4.981 1.00 1.06 H new ATOM 0 HG3 GLU A 18 -7.953 9.627 -4.200 1.00 1.06 H new ATOM 287 N LEU A 19 -9.943 5.890 -2.886 1.00 0.28 N ATOM 288 CA LEU A 19 -11.261 5.280 -3.244 1.00 0.32 C ATOM 289 C LEU A 19 -12.291 5.577 -2.153 1.00 0.36 C ATOM 290 O LEU A 19 -13.440 5.866 -2.428 1.00 0.42 O ATOM 291 CB LEU A 19 -11.000 3.782 -3.328 1.00 0.34 C ATOM 292 CG LEU A 19 -10.126 3.478 -4.545 1.00 0.43 C ATOM 293 CD1 LEU A 19 -9.693 2.011 -4.508 1.00 1.02 C ATOM 294 CD2 LEU A 19 -10.922 3.742 -5.825 1.00 0.69 C ATOM 0 H LEU A 19 -9.172 5.229 -2.795 1.00 0.28 H new ATOM 0 HA LEU A 19 -11.656 5.678 -4.179 1.00 0.32 H new ATOM 0 HB2 LEU A 19 -10.507 3.438 -2.419 1.00 0.34 H new ATOM 0 HB3 LEU A 19 -11.944 3.242 -3.402 1.00 0.34 H new ATOM 0 HG LEU A 19 -9.244 4.118 -4.527 1.00 0.43 H new ATOM 0 HD11 LEU A 19 -9.070 1.794 -5.375 1.00 1.02 H new ATOM 0 HD12 LEU A 19 -9.125 1.822 -3.597 1.00 1.02 H new ATOM 0 HD13 LEU A 19 -10.575 1.371 -4.525 1.00 1.02 H new ATOM 0 HD21 LEU A 19 -10.299 3.525 -6.692 1.00 0.69 H new ATOM 0 HD22 LEU A 19 -11.804 3.102 -5.843 1.00 0.69 H new ATOM 0 HD23 LEU A 19 -11.231 4.787 -5.852 1.00 0.69 H new ATOM 306 N LYS A 20 -11.876 5.511 -0.915 1.00 0.39 N ATOM 307 CA LYS A 20 -12.809 5.790 0.215 1.00 0.51 C ATOM 308 C LYS A 20 -13.275 7.237 0.128 1.00 0.57 C ATOM 309 O LYS A 20 -14.438 7.539 0.321 1.00 0.67 O ATOM 310 CB LYS A 20 -11.996 5.543 1.493 1.00 0.59 C ATOM 311 CG LYS A 20 -12.773 4.606 2.420 1.00 0.84 C ATOM 312 CD LYS A 20 -12.835 3.211 1.792 1.00 1.09 C ATOM 313 CE LYS A 20 -13.539 2.243 2.750 1.00 1.44 C ATOM 314 NZ LYS A 20 -12.657 2.163 3.951 1.00 2.08 N ATOM 0 H LYS A 20 -10.924 5.274 -0.637 1.00 0.39 H new ATOM 0 HA LYS A 20 -13.698 5.159 0.196 1.00 0.51 H new ATOM 0 HB2 LYS A 20 -11.030 5.105 1.243 1.00 0.59 H new ATOM 0 HB3 LYS A 20 -11.797 6.488 1.998 1.00 0.59 H new ATOM 0 HG2 LYS A 20 -12.289 4.557 3.396 1.00 0.84 H new ATOM 0 HG3 LYS A 20 -13.780 4.989 2.583 1.00 0.84 H new ATOM 0 HD2 LYS A 20 -13.370 3.252 0.843 1.00 1.09 H new ATOM 0 HD3 LYS A 20 -11.828 2.855 1.575 1.00 1.09 H new ATOM 0 HE2 LYS A 20 -14.532 2.606 3.015 1.00 1.44 H new ATOM 0 HE3 LYS A 20 -13.669 1.262 2.292 1.00 1.44 H new ATOM 0 HZ1 LYS A 20 -12.594 1.175 4.270 1.00 2.08 H new ATOM 0 HZ2 LYS A 20 -11.707 2.509 3.708 1.00 2.08 H new ATOM 0 HZ3 LYS A 20 -13.054 2.749 4.713 1.00 2.08 H new ATOM 328 N ALA A 21 -12.379 8.125 -0.210 1.00 0.55 N ATOM 329 CA ALA A 21 -12.769 9.554 -0.369 1.00 0.67 C ATOM 330 C ALA A 21 -13.733 9.658 -1.554 1.00 0.69 C ATOM 331 O ALA A 21 -14.577 10.532 -1.611 1.00 0.81 O ATOM 332 CB ALA A 21 -11.468 10.308 -0.658 1.00 0.67 C ATOM 0 H ALA A 21 -11.394 7.922 -0.383 1.00 0.55 H new ATOM 0 HA ALA A 21 -13.264 9.964 0.511 1.00 0.67 H new ATOM 0 HB1 ALA A 21 -11.683 11.369 -0.786 1.00 0.67 H new ATOM 0 HB2 ALA A 21 -10.778 10.176 0.175 1.00 0.67 H new ATOM 0 HB3 ALA A 21 -11.016 9.917 -1.569 1.00 0.67 H new ATOM 338 N LYS A 22 -13.611 8.751 -2.498 1.00 0.62 N ATOM 339 CA LYS A 22 -14.516 8.763 -3.683 1.00 0.71 C ATOM 340 C LYS A 22 -15.818 7.990 -3.389 1.00 0.74 C ATOM 341 O LYS A 22 -16.597 7.734 -4.285 1.00 0.81 O ATOM 342 CB LYS A 22 -13.716 8.068 -4.786 1.00 0.73 C ATOM 343 CG LYS A 22 -12.551 8.965 -5.213 1.00 1.07 C ATOM 344 CD LYS A 22 -11.708 8.247 -6.270 1.00 1.07 C ATOM 345 CE LYS A 22 -12.457 8.242 -7.605 1.00 1.91 C ATOM 346 NZ LYS A 22 -11.514 7.615 -8.574 1.00 2.11 N ATOM 0 H LYS A 22 -12.919 8.002 -2.494 1.00 0.62 H new ATOM 0 HA LYS A 22 -14.816 9.774 -3.960 1.00 0.71 H new ATOM 0 HB2 LYS A 22 -13.339 7.110 -4.428 1.00 0.73 H new ATOM 0 HB3 LYS A 22 -14.360 7.858 -5.640 1.00 0.73 H new ATOM 0 HG2 LYS A 22 -12.931 9.905 -5.614 1.00 1.07 H new ATOM 0 HG3 LYS A 22 -11.934 9.213 -4.349 1.00 1.07 H new ATOM 0 HD2 LYS A 22 -10.746 8.746 -6.383 1.00 1.07 H new ATOM 0 HD3 LYS A 22 -11.502 7.225 -5.953 1.00 1.07 H new ATOM 0 HE2 LYS A 22 -13.385 7.675 -7.535 1.00 1.91 H new ATOM 0 HE3 LYS A 22 -12.724 9.253 -7.912 1.00 1.91 H new ATOM 0 HZ1 LYS A 22 -11.957 7.576 -9.514 1.00 2.11 H new ATOM 0 HZ2 LYS A 22 -10.642 8.180 -8.625 1.00 2.11 H new ATOM 0 HZ3 LYS A 22 -11.284 6.651 -8.260 1.00 2.11 H new ATOM 360 N LYS A 23 -16.049 7.601 -2.146 1.00 0.72 N ATOM 361 CA LYS A 23 -17.295 6.832 -1.783 1.00 0.79 C ATOM 362 C LYS A 23 -17.376 5.521 -2.569 1.00 0.77 C ATOM 363 O LYS A 23 -18.439 4.956 -2.740 1.00 0.85 O ATOM 364 CB LYS A 23 -18.483 7.726 -2.135 1.00 0.91 C ATOM 365 CG LYS A 23 -18.512 8.946 -1.212 1.00 0.97 C ATOM 366 CD LYS A 23 -19.708 9.829 -1.579 1.00 1.26 C ATOM 367 CE LYS A 23 -19.748 11.055 -0.663 1.00 1.53 C ATOM 368 NZ LYS A 23 -20.396 10.581 0.592 1.00 2.28 N ATOM 0 H LYS A 23 -15.422 7.786 -1.363 1.00 0.72 H new ATOM 0 HA LYS A 23 -17.290 6.575 -0.724 1.00 0.79 H new ATOM 0 HB2 LYS A 23 -18.411 8.048 -3.174 1.00 0.91 H new ATOM 0 HB3 LYS A 23 -19.412 7.165 -2.038 1.00 0.91 H new ATOM 0 HG2 LYS A 23 -18.585 8.628 -0.172 1.00 0.97 H new ATOM 0 HG3 LYS A 23 -17.585 9.511 -1.308 1.00 0.97 H new ATOM 0 HD2 LYS A 23 -19.634 10.144 -2.620 1.00 1.26 H new ATOM 0 HD3 LYS A 23 -20.634 9.262 -1.483 1.00 1.26 H new ATOM 0 HE2 LYS A 23 -18.745 11.435 -0.469 1.00 1.53 H new ATOM 0 HE3 LYS A 23 -20.315 11.868 -1.117 1.00 1.53 H new ATOM 0 HZ1 LYS A 23 -21.335 11.018 0.684 1.00 2.28 H new ATOM 0 HZ2 LYS A 23 -20.497 9.546 0.561 1.00 2.28 H new ATOM 0 HZ3 LYS A 23 -19.809 10.847 1.408 1.00 2.28 H new ATOM 382 N ALA A 24 -16.263 5.040 -3.045 1.00 0.68 N ATOM 383 CA ALA A 24 -16.259 3.761 -3.826 1.00 0.70 C ATOM 384 C ALA A 24 -16.815 2.610 -2.972 1.00 0.71 C ATOM 385 O ALA A 24 -16.857 2.712 -1.762 1.00 0.71 O ATOM 386 CB ALA A 24 -14.791 3.499 -4.169 1.00 0.62 C ATOM 0 H ALA A 24 -15.348 5.476 -2.929 1.00 0.68 H new ATOM 0 HA ALA A 24 -16.882 3.831 -4.718 1.00 0.70 H new ATOM 0 HB1 ALA A 24 -14.711 2.576 -4.743 1.00 0.62 H new ATOM 0 HB2 ALA A 24 -14.402 4.328 -4.760 1.00 0.62 H new ATOM 0 HB3 ALA A 24 -14.213 3.406 -3.249 1.00 0.62 H new ATOM 392 N PRO A 25 -17.226 1.542 -3.626 1.00 0.77 N ATOM 393 CA PRO A 25 -17.777 0.377 -2.889 1.00 0.82 C ATOM 394 C PRO A 25 -16.655 -0.362 -2.157 1.00 0.71 C ATOM 395 O PRO A 25 -15.496 -0.253 -2.513 1.00 0.60 O ATOM 396 CB PRO A 25 -18.375 -0.498 -3.990 1.00 0.93 C ATOM 397 CG PRO A 25 -17.624 -0.129 -5.229 1.00 0.91 C ATOM 398 CD PRO A 25 -17.218 1.314 -5.083 1.00 0.84 C ATOM 0 HA PRO A 25 -18.509 0.655 -2.131 1.00 0.82 H new ATOM 0 HB2 PRO A 25 -18.259 -1.557 -3.759 1.00 0.93 H new ATOM 0 HB3 PRO A 25 -19.443 -0.312 -4.106 1.00 0.93 H new ATOM 0 HG2 PRO A 25 -16.748 -0.766 -5.353 1.00 0.91 H new ATOM 0 HG3 PRO A 25 -18.246 -0.267 -6.113 1.00 0.91 H new ATOM 0 HD2 PRO A 25 -16.232 1.496 -5.510 1.00 0.84 H new ATOM 0 HD3 PRO A 25 -17.915 1.978 -5.595 1.00 0.84 H new ATOM 406 N LYS A 26 -16.991 -1.118 -1.140 1.00 0.76 N ATOM 407 CA LYS A 26 -15.944 -1.873 -0.380 1.00 0.68 C ATOM 408 C LYS A 26 -15.130 -2.761 -1.328 1.00 0.60 C ATOM 409 O LYS A 26 -13.976 -3.055 -1.078 1.00 0.52 O ATOM 410 CB LYS A 26 -16.711 -2.730 0.631 1.00 0.82 C ATOM 411 CG LYS A 26 -17.323 -1.827 1.705 1.00 0.93 C ATOM 412 CD LYS A 26 -18.090 -2.680 2.718 1.00 1.22 C ATOM 413 CE LYS A 26 -18.701 -1.772 3.789 1.00 1.61 C ATOM 414 NZ LYS A 26 -19.904 -2.505 4.273 1.00 2.00 N ATOM 0 H LYS A 26 -17.945 -1.245 -0.803 1.00 0.76 H new ATOM 0 HA LYS A 26 -15.238 -1.203 0.111 1.00 0.68 H new ATOM 0 HB2 LYS A 26 -17.495 -3.294 0.125 1.00 0.82 H new ATOM 0 HB3 LYS A 26 -16.041 -3.457 1.090 1.00 0.82 H new ATOM 0 HG2 LYS A 26 -16.539 -1.263 2.210 1.00 0.93 H new ATOM 0 HG3 LYS A 26 -17.993 -1.101 1.245 1.00 0.93 H new ATOM 0 HD2 LYS A 26 -18.874 -3.245 2.214 1.00 1.22 H new ATOM 0 HD3 LYS A 26 -17.420 -3.406 3.180 1.00 1.22 H new ATOM 0 HE2 LYS A 26 -17.997 -1.589 4.601 1.00 1.61 H new ATOM 0 HE3 LYS A 26 -18.970 -0.800 3.376 1.00 1.61 H new ATOM 0 HZ1 LYS A 26 -20.378 -1.946 5.010 1.00 2.00 H new ATOM 0 HZ2 LYS A 26 -20.559 -2.659 3.480 1.00 2.00 H new ATOM 0 HZ3 LYS A 26 -19.616 -3.423 4.667 1.00 2.00 H new ATOM 428 N GLU A 27 -15.728 -3.188 -2.412 1.00 0.66 N ATOM 429 CA GLU A 27 -14.999 -4.061 -3.384 1.00 0.65 C ATOM 430 C GLU A 27 -13.752 -3.342 -3.916 1.00 0.56 C ATOM 431 O GLU A 27 -12.698 -3.936 -4.044 1.00 0.55 O ATOM 432 CB GLU A 27 -15.999 -4.317 -4.515 1.00 0.78 C ATOM 433 CG GLU A 27 -15.353 -5.228 -5.558 1.00 1.25 C ATOM 434 CD GLU A 27 -15.166 -6.641 -4.986 1.00 1.61 C ATOM 435 OE1 GLU A 27 -15.753 -6.936 -3.955 1.00 2.08 O ATOM 436 OE2 GLU A 27 -14.434 -7.407 -5.591 1.00 2.22 O ATOM 0 H GLU A 27 -16.691 -2.970 -2.667 1.00 0.66 H new ATOM 0 HA GLU A 27 -14.655 -4.989 -2.927 1.00 0.65 H new ATOM 0 HB2 GLU A 27 -16.903 -4.780 -4.120 1.00 0.78 H new ATOM 0 HB3 GLU A 27 -16.298 -3.374 -4.973 1.00 0.78 H new ATOM 0 HG2 GLU A 27 -15.976 -5.269 -6.451 1.00 1.25 H new ATOM 0 HG3 GLU A 27 -14.389 -4.820 -5.861 1.00 1.25 H new ATOM 443 N ASP A 28 -13.862 -2.073 -4.215 1.00 0.53 N ATOM 444 CA ASP A 28 -12.675 -1.321 -4.728 1.00 0.49 C ATOM 445 C ASP A 28 -11.649 -1.123 -3.614 1.00 0.39 C ATOM 446 O ASP A 28 -10.459 -1.271 -3.819 1.00 0.36 O ATOM 447 CB ASP A 28 -13.220 0.036 -5.182 1.00 0.52 C ATOM 448 CG ASP A 28 -13.849 -0.085 -6.577 1.00 0.68 C ATOM 449 OD1 ASP A 28 -13.526 -1.031 -7.279 1.00 1.05 O ATOM 450 OD2 ASP A 28 -14.637 0.780 -6.923 1.00 1.46 O ATOM 0 H ASP A 28 -14.718 -1.526 -4.127 1.00 0.53 H new ATOM 0 HA ASP A 28 -12.177 -1.856 -5.537 1.00 0.49 H new ATOM 0 HB2 ASP A 28 -13.963 0.394 -4.470 1.00 0.52 H new ATOM 0 HB3 ASP A 28 -12.416 0.771 -5.200 1.00 0.52 H new ATOM 455 N VAL A 29 -12.106 -0.781 -2.440 1.00 0.37 N ATOM 456 CA VAL A 29 -11.165 -0.558 -1.302 1.00 0.32 C ATOM 457 C VAL A 29 -10.527 -1.883 -0.864 1.00 0.29 C ATOM 458 O VAL A 29 -9.325 -1.975 -0.703 1.00 0.27 O ATOM 459 CB VAL A 29 -12.024 0.035 -0.178 1.00 0.38 C ATOM 460 CG1 VAL A 29 -11.153 0.299 1.053 1.00 0.57 C ATOM 461 CG2 VAL A 29 -12.644 1.354 -0.646 1.00 0.65 C ATOM 0 H VAL A 29 -13.092 -0.646 -2.218 1.00 0.37 H new ATOM 0 HA VAL A 29 -10.344 0.106 -1.574 1.00 0.32 H new ATOM 0 HB VAL A 29 -12.814 -0.671 0.078 1.00 0.38 H new ATOM 0 HG11 VAL A 29 -11.767 0.720 1.849 1.00 0.57 H new ATOM 0 HG12 VAL A 29 -10.710 -0.637 1.393 1.00 0.57 H new ATOM 0 HG13 VAL A 29 -10.361 1.002 0.795 1.00 0.57 H new ATOM 0 HG21 VAL A 29 -13.254 1.773 0.154 1.00 0.65 H new ATOM 0 HG22 VAL A 29 -11.852 2.057 -0.905 1.00 0.65 H new ATOM 0 HG23 VAL A 29 -13.268 1.172 -1.521 1.00 0.65 H new ATOM 471 N ASP A 30 -11.325 -2.902 -0.654 1.00 0.34 N ATOM 472 CA ASP A 30 -10.765 -4.216 -0.205 1.00 0.37 C ATOM 473 C ASP A 30 -9.767 -4.779 -1.224 1.00 0.34 C ATOM 474 O ASP A 30 -8.721 -5.283 -0.858 1.00 0.34 O ATOM 475 CB ASP A 30 -11.972 -5.152 -0.074 1.00 0.45 C ATOM 476 CG ASP A 30 -12.812 -4.770 1.154 1.00 0.51 C ATOM 477 OD1 ASP A 30 -12.327 -4.012 1.981 1.00 1.02 O ATOM 478 OD2 ASP A 30 -13.931 -5.249 1.248 1.00 1.33 O ATOM 0 H ASP A 30 -12.338 -2.881 -0.774 1.00 0.34 H new ATOM 0 HA ASP A 30 -10.220 -4.109 0.733 1.00 0.37 H new ATOM 0 HB2 ASP A 30 -12.584 -5.095 -0.974 1.00 0.45 H new ATOM 0 HB3 ASP A 30 -11.633 -6.184 0.016 1.00 0.45 H new ATOM 483 N ALA A 31 -10.081 -4.709 -2.493 1.00 0.36 N ATOM 484 CA ALA A 31 -9.146 -5.252 -3.528 1.00 0.38 C ATOM 485 C ALA A 31 -7.798 -4.536 -3.467 1.00 0.33 C ATOM 486 O ALA A 31 -6.754 -5.161 -3.435 1.00 0.36 O ATOM 487 CB ALA A 31 -9.830 -4.994 -4.872 1.00 0.46 C ATOM 0 H ALA A 31 -10.942 -4.301 -2.858 1.00 0.36 H new ATOM 0 HA ALA A 31 -8.945 -6.312 -3.372 1.00 0.38 H new ATOM 0 HB1 ALA A 31 -9.199 -5.367 -5.679 1.00 0.46 H new ATOM 0 HB2 ALA A 31 -10.791 -5.507 -4.896 1.00 0.46 H new ATOM 0 HB3 ALA A 31 -9.987 -3.923 -5.001 1.00 0.46 H new ATOM 493 N ALA A 32 -7.818 -3.230 -3.463 1.00 0.32 N ATOM 494 CA ALA A 32 -6.537 -2.458 -3.416 1.00 0.34 C ATOM 495 C ALA A 32 -5.814 -2.698 -2.090 1.00 0.31 C ATOM 496 O ALA A 32 -4.609 -2.868 -2.063 1.00 0.36 O ATOM 497 CB ALA A 32 -6.944 -0.990 -3.554 1.00 0.39 C ATOM 0 H ALA A 32 -8.665 -2.662 -3.490 1.00 0.32 H new ATOM 0 HA ALA A 32 -5.849 -2.762 -4.205 1.00 0.34 H new ATOM 0 HB1 ALA A 32 -6.054 -0.362 -3.528 1.00 0.39 H new ATOM 0 HB2 ALA A 32 -7.464 -0.844 -4.501 1.00 0.39 H new ATOM 0 HB3 ALA A 32 -7.605 -0.717 -2.732 1.00 0.39 H new ATOM 503 N VAL A 33 -6.534 -2.726 -0.992 1.00 0.26 N ATOM 504 CA VAL A 33 -5.866 -2.972 0.319 1.00 0.29 C ATOM 505 C VAL A 33 -5.311 -4.403 0.315 1.00 0.31 C ATOM 506 O VAL A 33 -4.224 -4.654 0.797 1.00 0.35 O ATOM 507 CB VAL A 33 -6.949 -2.704 1.406 1.00 0.31 C ATOM 508 CG1 VAL A 33 -7.666 -3.980 1.892 1.00 0.55 C ATOM 509 CG2 VAL A 33 -6.284 -2.028 2.606 1.00 0.57 C ATOM 0 H VAL A 33 -7.544 -2.590 -0.950 1.00 0.26 H new ATOM 0 HA VAL A 33 -5.014 -2.323 0.519 1.00 0.29 H new ATOM 0 HB VAL A 33 -7.707 -2.069 0.948 1.00 0.31 H new ATOM 0 HG11 VAL A 33 -8.406 -3.716 2.648 1.00 0.55 H new ATOM 0 HG12 VAL A 33 -8.163 -4.461 1.050 1.00 0.55 H new ATOM 0 HG13 VAL A 33 -6.936 -4.666 2.323 1.00 0.55 H new ATOM 0 HG21 VAL A 33 -7.032 -1.835 3.375 1.00 0.57 H new ATOM 0 HG22 VAL A 33 -5.510 -2.681 3.009 1.00 0.57 H new ATOM 0 HG23 VAL A 33 -5.836 -1.086 2.291 1.00 0.57 H new ATOM 519 N LYS A 34 -6.039 -5.338 -0.260 1.00 0.30 N ATOM 520 CA LYS A 34 -5.524 -6.739 -0.328 1.00 0.34 C ATOM 521 C LYS A 34 -4.219 -6.743 -1.124 1.00 0.35 C ATOM 522 O LYS A 34 -3.256 -7.393 -0.765 1.00 0.38 O ATOM 523 CB LYS A 34 -6.603 -7.553 -1.041 1.00 0.35 C ATOM 524 CG LYS A 34 -6.182 -9.023 -1.062 1.00 1.04 C ATOM 525 CD LYS A 34 -7.249 -9.855 -1.773 1.00 1.51 C ATOM 526 CE LYS A 34 -6.859 -11.334 -1.713 1.00 2.23 C ATOM 527 NZ LYS A 34 -7.553 -11.967 -2.869 1.00 2.82 N ATOM 0 H LYS A 34 -6.957 -5.189 -0.679 1.00 0.30 H new ATOM 0 HA LYS A 34 -5.318 -7.159 0.656 1.00 0.34 H new ATOM 0 HB2 LYS A 34 -7.559 -7.442 -0.529 1.00 0.35 H new ATOM 0 HB3 LYS A 34 -6.742 -7.186 -2.058 1.00 0.35 H new ATOM 0 HG2 LYS A 34 -5.225 -9.130 -1.572 1.00 1.04 H new ATOM 0 HG3 LYS A 34 -6.043 -9.386 -0.044 1.00 1.04 H new ATOM 0 HD2 LYS A 34 -8.220 -9.703 -1.301 1.00 1.51 H new ATOM 0 HD3 LYS A 34 -7.346 -9.534 -2.810 1.00 1.51 H new ATOM 0 HE2 LYS A 34 -5.779 -11.460 -1.785 1.00 2.23 H new ATOM 0 HE3 LYS A 34 -7.170 -11.786 -0.771 1.00 2.23 H new ATOM 0 HZ1 LYS A 34 -7.332 -12.983 -2.892 1.00 2.82 H new ATOM 0 HZ2 LYS A 34 -8.580 -11.838 -2.770 1.00 2.82 H new ATOM 0 HZ3 LYS A 34 -7.232 -11.522 -3.753 1.00 2.82 H new ATOM 541 N GLN A 35 -4.185 -5.986 -2.194 1.00 0.36 N ATOM 542 CA GLN A 35 -2.944 -5.898 -3.016 1.00 0.40 C ATOM 543 C GLN A 35 -1.851 -5.252 -2.164 1.00 0.41 C ATOM 544 O GLN A 35 -0.715 -5.673 -2.157 1.00 0.40 O ATOM 545 CB GLN A 35 -3.307 -4.987 -4.198 1.00 0.47 C ATOM 546 CG GLN A 35 -2.426 -5.323 -5.403 1.00 0.56 C ATOM 547 CD GLN A 35 -2.908 -6.627 -6.044 1.00 1.04 C ATOM 548 OE1 GLN A 35 -4.090 -6.815 -6.252 1.00 1.73 O ATOM 549 NE2 GLN A 35 -2.034 -7.538 -6.370 1.00 1.71 N ATOM 0 H GLN A 35 -4.967 -5.425 -2.532 1.00 0.36 H new ATOM 0 HA GLN A 35 -2.585 -6.868 -3.360 1.00 0.40 H new ATOM 0 HB2 GLN A 35 -4.358 -5.115 -4.458 1.00 0.47 H new ATOM 0 HB3 GLN A 35 -3.173 -3.942 -3.918 1.00 0.47 H new ATOM 0 HG2 GLN A 35 -2.464 -4.513 -6.131 1.00 0.56 H new ATOM 0 HG3 GLN A 35 -1.387 -5.422 -5.090 1.00 0.56 H new ATOM 0 HE21 GLN A 35 -1.042 -7.379 -6.195 1.00 1.71 H new ATOM 0 HE22 GLN A 35 -2.342 -8.410 -6.800 1.00 1.71 H new ATOM 558 N LEU A 36 -2.220 -4.233 -1.432 1.00 0.47 N ATOM 559 CA LEU A 36 -1.246 -3.523 -0.544 1.00 0.55 C ATOM 560 C LEU A 36 -0.671 -4.494 0.487 1.00 0.52 C ATOM 561 O LEU A 36 0.511 -4.471 0.776 1.00 0.53 O ATOM 562 CB LEU A 36 -2.088 -2.424 0.130 1.00 0.72 C ATOM 563 CG LEU A 36 -1.266 -1.550 1.100 1.00 0.59 C ATOM 564 CD1 LEU A 36 -1.043 -2.287 2.420 1.00 1.53 C ATOM 565 CD2 LEU A 36 0.092 -1.174 0.491 1.00 1.26 C ATOM 0 H LEU A 36 -3.168 -3.856 -1.410 1.00 0.47 H new ATOM 0 HA LEU A 36 -0.393 -3.112 -1.083 1.00 0.55 H new ATOM 0 HB2 LEU A 36 -2.530 -1.789 -0.638 1.00 0.72 H new ATOM 0 HB3 LEU A 36 -2.912 -2.886 0.674 1.00 0.72 H new ATOM 0 HG LEU A 36 -1.832 -0.637 1.284 1.00 0.59 H new ATOM 0 HD11 LEU A 36 -0.462 -1.658 3.094 1.00 1.53 H new ATOM 0 HD12 LEU A 36 -2.006 -2.515 2.877 1.00 1.53 H new ATOM 0 HD13 LEU A 36 -0.502 -3.214 2.232 1.00 1.53 H new ATOM 0 HD21 LEU A 36 0.649 -0.558 1.197 1.00 1.26 H new ATOM 0 HD22 LEU A 36 0.657 -2.081 0.275 1.00 1.26 H new ATOM 0 HD23 LEU A 36 -0.065 -0.616 -0.432 1.00 1.26 H new ATOM 577 N LEU A 37 -1.495 -5.351 1.044 1.00 0.51 N ATOM 578 CA LEU A 37 -0.986 -6.327 2.057 1.00 0.53 C ATOM 579 C LEU A 37 0.098 -7.208 1.434 1.00 0.47 C ATOM 580 O LEU A 37 1.109 -7.487 2.050 1.00 0.48 O ATOM 581 CB LEU A 37 -2.201 -7.147 2.476 1.00 0.59 C ATOM 582 CG LEU A 37 -3.014 -6.346 3.495 1.00 0.75 C ATOM 583 CD1 LEU A 37 -4.456 -6.856 3.526 1.00 1.36 C ATOM 584 CD2 LEU A 37 -2.391 -6.516 4.883 1.00 1.24 C ATOM 0 H LEU A 37 -2.493 -5.416 0.841 1.00 0.51 H new ATOM 0 HA LEU A 37 -0.531 -5.837 2.917 1.00 0.53 H new ATOM 0 HB2 LEU A 37 -2.814 -7.383 1.606 1.00 0.59 H new ATOM 0 HB3 LEU A 37 -1.884 -8.096 2.909 1.00 0.59 H new ATOM 0 HG LEU A 37 -3.009 -5.294 3.211 1.00 0.75 H new ATOM 0 HD11 LEU A 37 -5.030 -6.282 4.253 1.00 1.36 H new ATOM 0 HD12 LEU A 37 -4.904 -6.741 2.539 1.00 1.36 H new ATOM 0 HD13 LEU A 37 -4.464 -7.909 3.808 1.00 1.36 H new ATOM 0 HD21 LEU A 37 -2.967 -5.947 5.613 1.00 1.24 H new ATOM 0 HD22 LEU A 37 -2.398 -7.571 5.158 1.00 1.24 H new ATOM 0 HD23 LEU A 37 -1.364 -6.152 4.868 1.00 1.24 H new ATOM 596 N SER A 38 -0.090 -7.615 0.203 1.00 0.41 N ATOM 597 CA SER A 38 0.950 -8.446 -0.481 1.00 0.39 C ATOM 598 C SER A 38 2.263 -7.658 -0.548 1.00 0.37 C ATOM 599 O SER A 38 3.334 -8.198 -0.350 1.00 0.37 O ATOM 600 CB SER A 38 0.407 -8.716 -1.884 1.00 0.42 C ATOM 601 OG SER A 38 -0.698 -9.605 -1.795 1.00 1.31 O ATOM 0 H SER A 38 -0.917 -7.408 -0.357 1.00 0.41 H new ATOM 0 HA SER A 38 1.152 -9.378 0.046 1.00 0.39 H new ATOM 0 HB2 SER A 38 0.100 -7.782 -2.354 1.00 0.42 H new ATOM 0 HB3 SER A 38 1.187 -9.148 -2.512 1.00 0.42 H new ATOM 0 HG SER A 38 -1.051 -9.780 -2.693 1.00 1.31 H new ATOM 607 N LEU A 39 2.177 -6.376 -0.817 1.00 0.39 N ATOM 608 CA LEU A 39 3.413 -5.538 -0.885 1.00 0.43 C ATOM 609 C LEU A 39 4.047 -5.495 0.509 1.00 0.44 C ATOM 610 O LEU A 39 5.236 -5.686 0.676 1.00 0.42 O ATOM 611 CB LEU A 39 2.949 -4.129 -1.306 1.00 0.54 C ATOM 612 CG LEU A 39 2.134 -4.183 -2.612 1.00 0.57 C ATOM 613 CD1 LEU A 39 1.720 -2.770 -3.021 1.00 0.72 C ATOM 614 CD2 LEU A 39 2.969 -4.808 -3.735 1.00 0.61 C ATOM 0 H LEU A 39 1.305 -5.876 -0.992 1.00 0.39 H new ATOM 0 HA LEU A 39 4.148 -5.931 -1.588 1.00 0.43 H new ATOM 0 HB2 LEU A 39 2.343 -3.690 -0.513 1.00 0.54 H new ATOM 0 HB3 LEU A 39 3.816 -3.482 -1.441 1.00 0.54 H new ATOM 0 HG LEU A 39 1.247 -4.793 -2.443 1.00 0.57 H new ATOM 0 HD11 LEU A 39 1.144 -2.813 -3.945 1.00 0.72 H new ATOM 0 HD12 LEU A 39 1.110 -2.327 -2.233 1.00 0.72 H new ATOM 0 HD13 LEU A 39 2.610 -2.161 -3.176 1.00 0.72 H new ATOM 0 HD21 LEU A 39 2.380 -4.840 -4.652 1.00 0.61 H new ATOM 0 HD22 LEU A 39 3.864 -4.209 -3.899 1.00 0.61 H new ATOM 0 HD23 LEU A 39 3.257 -5.821 -3.454 1.00 0.61 H new ATOM 626 N LYS A 40 3.238 -5.257 1.508 1.00 0.55 N ATOM 627 CA LYS A 40 3.743 -5.208 2.916 1.00 0.65 C ATOM 628 C LYS A 40 4.375 -6.551 3.303 1.00 0.60 C ATOM 629 O LYS A 40 5.402 -6.598 3.954 1.00 0.64 O ATOM 630 CB LYS A 40 2.494 -4.923 3.758 1.00 0.85 C ATOM 631 CG LYS A 40 2.864 -4.788 5.236 1.00 1.33 C ATOM 632 CD LYS A 40 1.594 -4.503 6.042 1.00 1.42 C ATOM 633 CE LYS A 40 1.958 -4.153 7.492 1.00 2.23 C ATOM 634 NZ LYS A 40 1.600 -2.711 7.653 1.00 2.38 N ATOM 0 H LYS A 40 2.236 -5.092 1.409 1.00 0.55 H new ATOM 0 HA LYS A 40 4.516 -4.453 3.061 1.00 0.65 H new ATOM 0 HB2 LYS A 40 2.016 -4.007 3.412 1.00 0.85 H new ATOM 0 HB3 LYS A 40 1.770 -5.728 3.630 1.00 0.85 H new ATOM 0 HG2 LYS A 40 3.338 -5.703 5.591 1.00 1.33 H new ATOM 0 HG3 LYS A 40 3.585 -3.982 5.372 1.00 1.33 H new ATOM 0 HD2 LYS A 40 1.043 -3.679 5.588 1.00 1.42 H new ATOM 0 HD3 LYS A 40 0.939 -5.374 6.023 1.00 1.42 H new ATOM 0 HE2 LYS A 40 1.407 -4.776 8.197 1.00 2.23 H new ATOM 0 HE3 LYS A 40 3.019 -4.318 7.682 1.00 2.23 H new ATOM 0 HZ1 LYS A 40 1.822 -2.404 8.621 1.00 2.38 H new ATOM 0 HZ2 LYS A 40 2.145 -2.140 6.975 1.00 2.38 H new ATOM 0 HZ3 LYS A 40 0.583 -2.584 7.474 1.00 2.38 H new ATOM 648 N ALA A 41 3.764 -7.641 2.907 1.00 0.59 N ATOM 649 CA ALA A 41 4.322 -8.988 3.250 1.00 0.64 C ATOM 650 C ALA A 41 5.697 -9.172 2.606 1.00 0.59 C ATOM 651 O ALA A 41 6.608 -9.709 3.210 1.00 0.67 O ATOM 652 CB ALA A 41 3.326 -9.998 2.674 1.00 0.69 C ATOM 0 H ALA A 41 2.903 -7.657 2.361 1.00 0.59 H new ATOM 0 HA ALA A 41 4.452 -9.113 4.325 1.00 0.64 H new ATOM 0 HB1 ALA A 41 3.670 -11.010 2.887 1.00 0.69 H new ATOM 0 HB2 ALA A 41 2.347 -9.844 3.129 1.00 0.69 H new ATOM 0 HB3 ALA A 41 3.251 -9.860 1.595 1.00 0.69 H new ATOM 658 N GLU A 42 5.854 -8.727 1.385 1.00 0.52 N ATOM 659 CA GLU A 42 7.173 -8.869 0.696 1.00 0.59 C ATOM 660 C GLU A 42 8.223 -8.000 1.390 1.00 0.61 C ATOM 661 O GLU A 42 9.358 -8.400 1.562 1.00 0.73 O ATOM 662 CB GLU A 42 6.925 -8.379 -0.731 1.00 0.61 C ATOM 663 CG GLU A 42 6.037 -9.390 -1.466 1.00 0.68 C ATOM 664 CD GLU A 42 5.743 -8.904 -2.892 1.00 1.22 C ATOM 665 OE1 GLU A 42 5.994 -7.742 -3.177 1.00 1.90 O ATOM 666 OE2 GLU A 42 5.255 -9.703 -3.675 1.00 1.79 O ATOM 0 H GLU A 42 5.126 -8.271 0.835 1.00 0.52 H new ATOM 0 HA GLU A 42 7.546 -9.893 0.715 1.00 0.59 H new ATOM 0 HB2 GLU A 42 6.445 -7.401 -0.714 1.00 0.61 H new ATOM 0 HB3 GLU A 42 7.872 -8.260 -1.257 1.00 0.61 H new ATOM 0 HG2 GLU A 42 6.531 -10.361 -1.500 1.00 0.68 H new ATOM 0 HG3 GLU A 42 5.103 -9.527 -0.921 1.00 0.68 H new ATOM 673 N TYR A 43 7.846 -6.814 1.796 1.00 0.56 N ATOM 674 CA TYR A 43 8.815 -5.908 2.490 1.00 0.66 C ATOM 675 C TYR A 43 9.332 -6.577 3.772 1.00 0.73 C ATOM 676 O TYR A 43 10.507 -6.530 4.083 1.00 0.86 O ATOM 677 CB TYR A 43 8.011 -4.640 2.834 1.00 0.69 C ATOM 678 CG TYR A 43 8.730 -3.404 2.332 1.00 0.83 C ATOM 679 CD1 TYR A 43 10.099 -3.228 2.576 1.00 1.68 C ATOM 680 CD2 TYR A 43 8.016 -2.429 1.626 1.00 1.42 C ATOM 681 CE1 TYR A 43 10.752 -2.079 2.111 1.00 1.98 C ATOM 682 CE2 TYR A 43 8.668 -1.280 1.162 1.00 1.65 C ATOM 683 CZ TYR A 43 10.036 -1.105 1.404 1.00 1.59 C ATOM 684 OH TYR A 43 10.680 0.027 0.946 1.00 2.03 O ATOM 0 H TYR A 43 6.908 -6.432 1.677 1.00 0.56 H new ATOM 0 HA TYR A 43 9.683 -5.681 1.870 1.00 0.66 H new ATOM 0 HB2 TYR A 43 7.019 -4.698 2.386 1.00 0.69 H new ATOM 0 HB3 TYR A 43 7.870 -4.573 3.913 1.00 0.69 H new ATOM 0 HD1 TYR A 43 10.651 -3.978 3.123 1.00 1.68 H new ATOM 0 HD2 TYR A 43 6.961 -2.563 1.439 1.00 1.42 H new ATOM 0 HE1 TYR A 43 11.807 -1.944 2.298 1.00 1.98 H new ATOM 0 HE2 TYR A 43 8.116 -0.529 0.617 1.00 1.65 H new ATOM 0 HH TYR A 43 11.618 -0.185 0.755 1.00 2.03 H new ATOM 694 N LYS A 44 8.447 -7.183 4.521 1.00 0.73 N ATOM 695 CA LYS A 44 8.850 -7.849 5.800 1.00 0.89 C ATOM 696 C LYS A 44 9.812 -9.019 5.555 1.00 0.98 C ATOM 697 O LYS A 44 10.602 -9.364 6.414 1.00 1.13 O ATOM 698 CB LYS A 44 7.550 -8.355 6.425 1.00 0.95 C ATOM 699 CG LYS A 44 6.714 -7.168 6.909 1.00 1.37 C ATOM 700 CD LYS A 44 5.416 -7.687 7.532 1.00 1.45 C ATOM 701 CE LYS A 44 4.567 -6.510 8.021 1.00 2.00 C ATOM 702 NZ LYS A 44 3.230 -7.098 8.312 1.00 2.12 N ATOM 0 H LYS A 44 7.453 -7.246 4.301 1.00 0.73 H new ATOM 0 HA LYS A 44 9.379 -7.152 6.450 1.00 0.89 H new ATOM 0 HB2 LYS A 44 6.986 -8.936 5.695 1.00 0.95 H new ATOM 0 HB3 LYS A 44 7.771 -9.021 7.259 1.00 0.95 H new ATOM 0 HG2 LYS A 44 7.275 -6.587 7.640 1.00 1.37 H new ATOM 0 HG3 LYS A 44 6.490 -6.502 6.076 1.00 1.37 H new ATOM 0 HD2 LYS A 44 4.858 -8.270 6.799 1.00 1.45 H new ATOM 0 HD3 LYS A 44 5.643 -8.354 8.364 1.00 1.45 H new ATOM 0 HE2 LYS A 44 5.000 -6.053 8.911 1.00 2.00 H new ATOM 0 HE3 LYS A 44 4.499 -5.730 7.263 1.00 2.00 H new ATOM 0 HZ1 LYS A 44 2.655 -6.410 8.839 1.00 2.12 H new ATOM 0 HZ2 LYS A 44 2.753 -7.336 7.419 1.00 2.12 H new ATOM 0 HZ3 LYS A 44 3.346 -7.960 8.882 1.00 2.12 H new ATOM 716 N GLU A 45 9.743 -9.647 4.404 1.00 0.96 N ATOM 717 CA GLU A 45 10.644 -10.815 4.126 1.00 1.12 C ATOM 718 C GLU A 45 12.113 -10.431 4.323 1.00 1.23 C ATOM 719 O GLU A 45 12.899 -11.207 4.835 1.00 1.40 O ATOM 720 CB GLU A 45 10.393 -11.191 2.662 1.00 1.12 C ATOM 721 CG GLU A 45 9.018 -11.847 2.516 1.00 1.13 C ATOM 722 CD GLU A 45 9.091 -13.309 2.969 1.00 1.70 C ATOM 723 OE1 GLU A 45 9.825 -13.588 3.902 1.00 2.41 O ATOM 724 OE2 GLU A 45 8.412 -14.126 2.370 1.00 2.07 O ATOM 0 H GLU A 45 9.104 -9.403 3.647 1.00 0.96 H new ATOM 0 HA GLU A 45 10.437 -11.643 4.804 1.00 1.12 H new ATOM 0 HB2 GLU A 45 10.448 -10.301 2.035 1.00 1.12 H new ATOM 0 HB3 GLU A 45 11.169 -11.874 2.316 1.00 1.12 H new ATOM 0 HG2 GLU A 45 8.282 -11.308 3.113 1.00 1.13 H new ATOM 0 HG3 GLU A 45 8.688 -11.794 1.479 1.00 1.13 H new ATOM 731 N LYS A 46 12.488 -9.249 3.913 1.00 1.19 N ATOM 732 CA LYS A 46 13.912 -8.820 4.070 1.00 1.38 C ATOM 733 C LYS A 46 14.292 -8.773 5.554 1.00 1.48 C ATOM 734 O LYS A 46 15.204 -9.451 5.989 1.00 1.64 O ATOM 735 CB LYS A 46 13.963 -7.418 3.464 1.00 1.36 C ATOM 736 CG LYS A 46 13.720 -7.506 1.957 1.00 1.34 C ATOM 737 CD LYS A 46 13.770 -6.103 1.348 1.00 1.84 C ATOM 738 CE LYS A 46 13.527 -6.189 -0.162 1.00 1.81 C ATOM 739 NZ LYS A 46 14.885 -6.189 -0.776 1.00 2.31 N ATOM 0 H LYS A 46 11.873 -8.562 3.477 1.00 1.19 H new ATOM 0 HA LYS A 46 14.608 -9.506 3.586 1.00 1.38 H new ATOM 0 HB2 LYS A 46 13.210 -6.782 3.928 1.00 1.36 H new ATOM 0 HB3 LYS A 46 14.932 -6.960 3.661 1.00 1.36 H new ATOM 0 HG2 LYS A 46 14.474 -8.142 1.493 1.00 1.34 H new ATOM 0 HG3 LYS A 46 12.751 -7.965 1.761 1.00 1.34 H new ATOM 0 HD2 LYS A 46 13.016 -5.467 1.812 1.00 1.84 H new ATOM 0 HD3 LYS A 46 14.739 -5.644 1.545 1.00 1.84 H new ATOM 0 HE2 LYS A 46 12.977 -7.094 -0.422 1.00 1.81 H new ATOM 0 HE3 LYS A 46 12.935 -5.344 -0.515 1.00 1.81 H new ATOM 0 HZ1 LYS A 46 14.798 -6.246 -1.811 1.00 2.31 H new ATOM 0 HZ2 LYS A 46 15.383 -5.313 -0.518 1.00 2.31 H new ATOM 0 HZ3 LYS A 46 15.423 -7.008 -0.428 1.00 2.31 H new ATOM 753 N THR A 47 13.591 -7.989 6.334 1.00 1.46 N ATOM 754 CA THR A 47 13.901 -7.906 7.796 1.00 1.61 C ATOM 755 C THR A 47 12.711 -7.319 8.561 1.00 1.64 C ATOM 756 O THR A 47 12.878 -6.680 9.583 1.00 1.83 O ATOM 757 CB THR A 47 15.129 -6.993 7.918 1.00 1.71 C ATOM 758 OG1 THR A 47 15.406 -6.772 9.294 1.00 2.51 O ATOM 759 CG2 THR A 47 14.868 -5.644 7.239 1.00 1.98 C ATOM 0 H THR A 47 12.817 -7.402 6.022 1.00 1.46 H new ATOM 0 HA THR A 47 14.097 -8.891 8.221 1.00 1.61 H new ATOM 0 HB THR A 47 15.976 -7.475 7.431 1.00 1.71 H new ATOM 0 HG1 THR A 47 14.604 -6.426 9.738 1.00 2.51 H new ATOM 0 HG21 THR A 47 15.750 -5.011 7.336 1.00 1.98 H new ATOM 0 HG22 THR A 47 14.651 -5.804 6.183 1.00 1.98 H new ATOM 0 HG23 THR A 47 14.017 -5.156 7.714 1.00 1.98 H new ATOM 767 N GLY A 48 11.514 -7.529 8.075 1.00 1.53 N ATOM 768 CA GLY A 48 10.311 -6.982 8.773 1.00 1.65 C ATOM 769 C GLY A 48 10.230 -5.463 8.593 1.00 1.57 C ATOM 770 O GLY A 48 10.023 -4.735 9.546 1.00 1.86 O ATOM 0 H GLY A 48 11.318 -8.056 7.224 1.00 1.53 H new ATOM 0 HA2 GLY A 48 9.410 -7.450 8.377 1.00 1.65 H new ATOM 0 HA3 GLY A 48 10.357 -7.226 9.834 1.00 1.65 H new ATOM 774 N GLN A 49 10.390 -4.978 7.387 1.00 1.30 N ATOM 775 CA GLN A 49 10.320 -3.502 7.159 1.00 1.38 C ATOM 776 C GLN A 49 8.866 -3.040 6.951 1.00 1.33 C ATOM 777 O GLN A 49 8.593 -1.857 6.971 1.00 1.59 O ATOM 778 CB GLN A 49 11.140 -3.264 5.889 1.00 1.34 C ATOM 779 CG GLN A 49 12.617 -3.552 6.168 1.00 1.56 C ATOM 780 CD GLN A 49 13.432 -3.317 4.894 1.00 2.10 C ATOM 781 OE1 GLN A 49 12.960 -3.564 3.803 1.00 2.70 O ATOM 782 NE2 GLN A 49 14.648 -2.850 4.987 1.00 2.50 N ATOM 0 H GLN A 49 10.566 -5.538 6.553 1.00 1.30 H new ATOM 0 HA GLN A 49 10.700 -2.943 8.014 1.00 1.38 H new ATOM 0 HB2 GLN A 49 10.779 -3.907 5.086 1.00 1.34 H new ATOM 0 HB3 GLN A 49 11.017 -2.234 5.553 1.00 1.34 H new ATOM 0 HG2 GLN A 49 12.979 -2.907 6.968 1.00 1.56 H new ATOM 0 HG3 GLN A 49 12.740 -4.581 6.507 1.00 1.56 H new ATOM 0 HE21 GLN A 49 15.046 -2.642 5.903 1.00 2.50 H new ATOM 0 HE22 GLN A 49 15.200 -2.693 4.144 1.00 2.50 H new ATOM 791 N GLU A 50 7.938 -3.970 6.766 1.00 1.22 N ATOM 792 CA GLU A 50 6.479 -3.633 6.551 1.00 1.34 C ATOM 793 C GLU A 50 6.286 -2.345 5.728 1.00 1.37 C ATOM 794 O GLU A 50 7.164 -1.938 4.990 1.00 1.68 O ATOM 795 CB GLU A 50 5.882 -3.492 7.960 1.00 1.52 C ATOM 796 CG GLU A 50 6.492 -2.295 8.700 1.00 1.63 C ATOM 797 CD GLU A 50 5.720 -2.057 10.000 1.00 1.95 C ATOM 798 OE1 GLU A 50 4.664 -1.449 9.936 1.00 2.37 O ATOM 799 OE2 GLU A 50 6.197 -2.489 11.037 1.00 2.32 O ATOM 0 H GLU A 50 8.138 -4.970 6.755 1.00 1.22 H new ATOM 0 HA GLU A 50 5.982 -4.411 5.972 1.00 1.34 H new ATOM 0 HB2 GLU A 50 4.801 -3.368 7.890 1.00 1.52 H new ATOM 0 HB3 GLU A 50 6.062 -4.405 8.528 1.00 1.52 H new ATOM 0 HG2 GLU A 50 7.543 -2.484 8.917 1.00 1.63 H new ATOM 0 HG3 GLU A 50 6.452 -1.405 8.072 1.00 1.63 H new ATOM 806 N TYR A 51 5.145 -1.710 5.843 1.00 1.36 N ATOM 807 CA TYR A 51 4.912 -0.455 5.064 1.00 1.46 C ATOM 808 C TYR A 51 5.831 0.655 5.577 1.00 1.37 C ATOM 809 O TYR A 51 5.715 1.090 6.708 1.00 1.51 O ATOM 810 CB TYR A 51 3.450 -0.081 5.309 1.00 1.76 C ATOM 811 CG TYR A 51 3.090 1.111 4.454 1.00 1.54 C ATOM 812 CD1 TYR A 51 3.457 2.400 4.862 1.00 1.93 C ATOM 813 CD2 TYR A 51 2.388 0.931 3.255 1.00 2.01 C ATOM 814 CE1 TYR A 51 3.124 3.507 4.072 1.00 2.22 C ATOM 815 CE2 TYR A 51 2.055 2.039 2.465 1.00 2.28 C ATOM 816 CZ TYR A 51 2.423 3.327 2.875 1.00 2.18 C ATOM 817 OH TYR A 51 2.096 4.420 2.098 1.00 2.77 O ATOM 0 H TYR A 51 4.371 -2.004 6.438 1.00 1.36 H new ATOM 0 HA TYR A 51 5.120 -0.592 4.003 1.00 1.46 H new ATOM 0 HB2 TYR A 51 2.802 -0.924 5.069 1.00 1.76 H new ATOM 0 HB3 TYR A 51 3.294 0.152 6.362 1.00 1.76 H new ATOM 0 HD1 TYR A 51 3.997 2.540 5.787 1.00 1.93 H new ATOM 0 HD2 TYR A 51 2.104 -0.062 2.940 1.00 2.01 H new ATOM 0 HE1 TYR A 51 3.408 4.500 4.387 1.00 2.22 H new ATOM 0 HE2 TYR A 51 1.515 1.900 1.540 1.00 2.28 H new ATOM 0 HH TYR A 51 2.771 5.120 2.218 1.00 2.77 H new