USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 514 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 13 SER OG : rot 180:sc= 0.118 USER MOD Set 1.2: A 14 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0438) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot -77:sc= 0.0223 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0834 USER MOD Single : A 23 LYS NZ :NH3+ 130:sc= -0.0963 (180deg=-0.589) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -151:sc= 1.06 (180deg=0.0929) USER MOD Single : A 30 MET CE :methyl 172:sc= -0.351 (180deg=-0.458) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 0:sc= -0.148 USER MOD Single : A 33 HIS : no HE2:sc= 0.988 K(o=0.99,f=-4.1!) USER MOD Single : A 37 ASN : amide:sc= 0.233 X(o=0.23,f=-0.18) USER MOD Single : A 38 GLN : amide:sc= 1.38 K(o=1.4,f=-9.6!) USER MOD Single : A 41 LYS NZ :NH3+ -157:sc= -0.26 (180deg=-1.13) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0201) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 135:sc= 1.07 (180deg=-0.591) USER MOD Single : A 54 TYR OH : rot 150:sc= -0.817 USER MOD Single : A 58 THR OG1 : rot -35:sc= 0.873 USER MOD Single : A 60 SER OG : rot -51:sc= 0.973 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 5 2.723 10.229 2.257 1.00 2.32 N ATOM 53 CA ASP A 5 3.330 8.945 2.545 1.00 1.63 C ATOM 54 C ASP A 5 2.371 7.829 2.197 1.00 1.70 C ATOM 55 O ASP A 5 1.213 7.851 2.616 1.00 3.13 O ATOM 56 CB ASP A 5 3.739 8.796 4.008 1.00 2.73 C ATOM 57 CG ASP A 5 4.980 7.935 4.073 1.00 3.66 C ATOM 58 OD1 ASP A 5 4.976 6.817 3.500 1.00 3.97 O ATOM 59 OD2 ASP A 5 5.961 8.481 4.630 1.00 4.74 O ATOM 0 HA ASP A 5 4.232 8.887 1.936 1.00 1.63 H new ATOM 0 HB2 ASP A 5 3.933 9.774 4.449 1.00 2.73 H new ATOM 0 HB3 ASP A 5 2.932 8.342 4.583 1.00 2.73 H new ATOM 64 N TYR A 6 2.872 6.847 1.465 1.00 0.87 N ATOM 65 CA TYR A 6 2.187 5.597 1.208 1.00 0.75 C ATOM 66 C TYR A 6 3.185 4.435 1.172 1.00 0.74 C ATOM 67 O TYR A 6 2.806 3.294 0.922 1.00 1.12 O ATOM 68 CB TYR A 6 1.381 5.750 -0.087 1.00 0.89 C ATOM 69 CG TYR A 6 0.120 6.582 0.078 1.00 1.48 C ATOM 70 CD1 TYR A 6 -0.911 6.132 0.924 1.00 3.00 C ATOM 71 CD2 TYR A 6 -0.021 7.816 -0.583 1.00 1.92 C ATOM 72 CE1 TYR A 6 -2.111 6.851 1.030 1.00 3.76 C ATOM 73 CE2 TYR A 6 -1.218 8.546 -0.459 1.00 2.48 C ATOM 74 CZ TYR A 6 -2.282 8.036 0.301 1.00 3.14 C ATOM 75 OH TYR A 6 -3.480 8.683 0.349 1.00 4.01 O ATOM 0 H TYR A 6 3.790 6.902 1.023 1.00 0.87 H new ATOM 0 HA TYR A 6 1.490 5.359 2.012 1.00 0.75 H new ATOM 0 HB2 TYR A 6 2.013 6.210 -0.847 1.00 0.89 H new ATOM 0 HB3 TYR A 6 1.108 4.761 -0.455 1.00 0.89 H new ATOM 0 HD1 TYR A 6 -0.777 5.226 1.496 1.00 3.00 H new ATOM 0 HD2 TYR A 6 0.788 8.203 -1.185 1.00 1.92 H new ATOM 0 HE1 TYR A 6 -2.902 6.492 1.672 1.00 3.76 H new ATOM 0 HE2 TYR A 6 -1.318 9.502 -0.951 1.00 2.48 H new ATOM 0 HH TYR A 6 -3.439 9.488 -0.208 1.00 4.01 H new ATOM 85 N TYR A 7 4.461 4.695 1.447 1.00 0.77 N ATOM 86 CA TYR A 7 5.538 3.736 1.249 1.00 0.73 C ATOM 87 C TYR A 7 6.058 3.288 2.611 1.00 0.77 C ATOM 88 O TYR A 7 6.329 2.106 2.833 1.00 0.92 O ATOM 89 CB TYR A 7 6.621 4.367 0.368 1.00 0.86 C ATOM 90 CG TYR A 7 7.040 5.757 0.800 1.00 1.88 C ATOM 91 CD1 TYR A 7 7.927 5.905 1.877 1.00 3.34 C ATOM 92 CD2 TYR A 7 6.456 6.895 0.212 1.00 2.91 C ATOM 93 CE1 TYR A 7 8.205 7.177 2.386 1.00 4.91 C ATOM 94 CE2 TYR A 7 6.730 8.173 0.731 1.00 4.40 C ATOM 95 CZ TYR A 7 7.567 8.305 1.851 1.00 5.26 C ATOM 96 OH TYR A 7 7.844 9.537 2.356 1.00 6.92 O ATOM 0 H TYR A 7 4.777 5.591 1.819 1.00 0.77 H new ATOM 0 HA TYR A 7 5.185 2.846 0.729 1.00 0.73 H new ATOM 0 HB2 TYR A 7 7.497 3.719 0.368 1.00 0.86 H new ATOM 0 HB3 TYR A 7 6.258 4.412 -0.659 1.00 0.86 H new ATOM 0 HD1 TYR A 7 8.396 5.035 2.313 1.00 3.34 H new ATOM 0 HD2 TYR A 7 5.798 6.787 -0.637 1.00 2.91 H new ATOM 0 HE1 TYR A 7 8.913 7.291 3.193 1.00 4.91 H new ATOM 0 HE2 TYR A 7 6.299 9.049 0.270 1.00 4.40 H new ATOM 0 HH TYR A 7 7.378 9.653 3.210 1.00 6.92 H new ATOM 106 N GLU A 8 6.142 4.212 3.569 1.00 0.84 N ATOM 107 CA GLU A 8 6.516 3.890 4.922 1.00 1.02 C ATOM 108 C GLU A 8 5.328 3.116 5.528 1.00 1.00 C ATOM 109 O GLU A 8 5.488 2.352 6.482 1.00 1.20 O ATOM 110 CB GLU A 8 6.829 5.212 5.637 1.00 1.23 C ATOM 111 CG GLU A 8 8.233 5.284 6.236 1.00 1.73 C ATOM 112 CD GLU A 8 8.632 4.125 7.116 1.00 1.75 C ATOM 113 OE1 GLU A 8 8.068 4.018 8.224 1.00 2.05 O ATOM 114 OE2 GLU A 8 9.522 3.353 6.688 1.00 2.98 O ATOM 0 H GLU A 8 5.950 5.202 3.416 1.00 0.84 H new ATOM 0 HA GLU A 8 7.404 3.264 5.009 1.00 1.02 H new ATOM 0 HB2 GLU A 8 6.705 6.032 4.930 1.00 1.23 H new ATOM 0 HB3 GLU A 8 6.099 5.364 6.432 1.00 1.23 H new ATOM 0 HG2 GLU A 8 8.952 5.361 5.420 1.00 1.73 H new ATOM 0 HG3 GLU A 8 8.312 6.202 6.818 1.00 1.73 H new ATOM 121 N ILE A 9 4.128 3.328 4.967 1.00 0.87 N ATOM 122 CA ILE A 9 2.918 2.603 5.275 1.00 0.87 C ATOM 123 C ILE A 9 3.110 1.118 4.991 1.00 0.91 C ATOM 124 O ILE A 9 2.938 0.328 5.919 1.00 1.12 O ATOM 125 CB ILE A 9 1.695 3.209 4.562 1.00 0.85 C ATOM 126 CG1 ILE A 9 1.562 4.683 4.992 1.00 1.08 C ATOM 127 CG2 ILE A 9 0.423 2.411 4.896 1.00 0.95 C ATOM 128 CD1 ILE A 9 0.205 5.302 4.654 1.00 0.96 C ATOM 0 H ILE A 9 3.984 4.045 4.256 1.00 0.87 H new ATOM 0 HA ILE A 9 2.708 2.700 6.340 1.00 0.87 H new ATOM 0 HB ILE A 9 1.829 3.159 3.481 1.00 0.85 H new ATOM 0 HG12 ILE A 9 1.726 4.755 6.067 1.00 1.08 H new ATOM 0 HG13 ILE A 9 2.347 5.265 4.510 1.00 1.08 H new ATOM 0 HG21 ILE A 9 -0.430 2.855 4.383 1.00 0.95 H new ATOM 0 HG22 ILE A 9 0.545 1.378 4.570 1.00 0.95 H new ATOM 0 HG23 ILE A 9 0.251 2.434 5.972 1.00 0.95 H new ATOM 0 HD11 ILE A 9 0.186 6.340 4.986 1.00 0.96 H new ATOM 0 HD12 ILE A 9 0.046 5.263 3.576 1.00 0.96 H new ATOM 0 HD13 ILE A 9 -0.585 4.745 5.158 1.00 0.96 H new ATOM 140 N LEU A 10 3.465 0.705 3.759 1.00 0.81 N ATOM 141 CA LEU A 10 3.776 -0.709 3.590 1.00 0.97 C ATOM 142 C LEU A 10 5.024 -1.084 4.386 1.00 1.10 C ATOM 143 O LEU A 10 5.153 -2.211 4.853 1.00 1.36 O ATOM 144 CB LEU A 10 3.799 -1.189 2.131 1.00 1.13 C ATOM 145 CG LEU A 10 3.362 -0.217 1.030 1.00 1.07 C ATOM 146 CD1 LEU A 10 3.549 -0.925 -0.313 1.00 2.01 C ATOM 147 CD2 LEU A 10 1.875 0.133 1.115 1.00 1.95 C ATOM 0 H LEU A 10 3.538 1.289 2.926 1.00 0.81 H new ATOM 0 HA LEU A 10 2.940 -1.266 4.012 1.00 0.97 H new ATOM 0 HB2 LEU A 10 4.816 -1.510 1.904 1.00 1.13 H new ATOM 0 HB3 LEU A 10 3.164 -2.072 2.063 1.00 1.13 H new ATOM 0 HG LEU A 10 3.953 0.692 1.139 1.00 1.07 H new ATOM 0 HD11 LEU A 10 3.246 -0.259 -1.121 1.00 2.01 H new ATOM 0 HD12 LEU A 10 4.597 -1.195 -0.439 1.00 2.01 H new ATOM 0 HD13 LEU A 10 2.937 -1.826 -0.337 1.00 2.01 H new ATOM 0 HD21 LEU A 10 1.617 0.824 0.313 1.00 1.95 H new ATOM 0 HD22 LEU A 10 1.281 -0.776 1.016 1.00 1.95 H new ATOM 0 HD23 LEU A 10 1.666 0.600 2.077 1.00 1.95 H new ATOM 159 N GLY A 11 5.940 -0.136 4.565 1.00 1.06 N ATOM 160 CA GLY A 11 7.151 -0.354 5.334 1.00 1.21 C ATOM 161 C GLY A 11 8.180 -0.909 4.372 1.00 1.19 C ATOM 162 O GLY A 11 8.766 -1.968 4.586 1.00 1.53 O ATOM 0 H GLY A 11 5.859 0.804 4.178 1.00 1.06 H new ATOM 0 HA2 GLY A 11 7.500 0.578 5.780 1.00 1.21 H new ATOM 0 HA3 GLY A 11 6.970 -1.051 6.152 1.00 1.21 H new ATOM 166 N VAL A 12 8.336 -0.183 3.272 1.00 0.97 N ATOM 167 CA VAL A 12 9.194 -0.494 2.154 1.00 0.98 C ATOM 168 C VAL A 12 9.969 0.787 1.866 1.00 1.13 C ATOM 169 O VAL A 12 9.736 1.804 2.526 1.00 1.22 O ATOM 170 CB VAL A 12 8.302 -1.008 1.016 1.00 0.89 C ATOM 171 CG1 VAL A 12 7.219 -0.020 0.582 1.00 0.97 C ATOM 172 CG2 VAL A 12 9.086 -1.449 -0.205 1.00 1.01 C ATOM 0 H VAL A 12 7.831 0.693 3.136 1.00 0.97 H new ATOM 0 HA VAL A 12 9.925 -1.284 2.325 1.00 0.98 H new ATOM 0 HB VAL A 12 7.811 -1.877 1.453 1.00 0.89 H new ATOM 0 HG11 VAL A 12 6.631 -0.456 -0.225 1.00 0.97 H new ATOM 0 HG12 VAL A 12 6.567 0.200 1.428 1.00 0.97 H new ATOM 0 HG13 VAL A 12 7.686 0.902 0.234 1.00 0.97 H new ATOM 0 HG21 VAL A 12 8.397 -1.801 -0.972 1.00 1.01 H new ATOM 0 HG22 VAL A 12 9.661 -0.607 -0.592 1.00 1.01 H new ATOM 0 HG23 VAL A 12 9.765 -2.256 0.071 1.00 1.01 H new ATOM 182 N SER A 13 10.974 0.745 0.998 1.00 1.27 N ATOM 183 CA SER A 13 11.749 1.952 0.740 1.00 1.63 C ATOM 184 C SER A 13 10.900 3.001 0.020 1.00 1.68 C ATOM 185 O SER A 13 9.798 2.732 -0.449 1.00 1.98 O ATOM 186 CB SER A 13 13.075 1.678 0.027 1.00 1.96 C ATOM 187 OG SER A 13 13.950 2.776 0.254 1.00 2.78 O ATOM 0 H SER A 13 11.264 -0.082 0.477 1.00 1.27 H new ATOM 0 HA SER A 13 12.030 2.362 1.710 1.00 1.63 H new ATOM 0 HB2 SER A 13 13.521 0.756 0.400 1.00 1.96 H new ATOM 0 HB3 SER A 13 12.908 1.542 -1.042 1.00 1.96 H new ATOM 0 HG SER A 13 14.805 2.612 -0.197 1.00 2.78 H new ATOM 193 N LYS A 14 11.441 4.213 -0.024 1.00 1.76 N ATOM 194 CA LYS A 14 10.717 5.433 -0.333 1.00 1.87 C ATOM 195 C LYS A 14 10.032 5.355 -1.695 1.00 1.89 C ATOM 196 O LYS A 14 8.812 5.430 -1.814 1.00 2.41 O ATOM 197 CB LYS A 14 11.700 6.605 -0.262 1.00 2.21 C ATOM 198 CG LYS A 14 12.171 6.837 1.182 1.00 2.57 C ATOM 199 CD LYS A 14 13.567 7.474 1.202 1.00 3.10 C ATOM 200 CE LYS A 14 14.702 6.464 0.978 1.00 3.51 C ATOM 201 NZ LYS A 14 14.891 5.576 2.139 1.00 4.29 N ATOM 0 H LYS A 14 12.431 4.375 0.162 1.00 1.76 H new ATOM 0 HA LYS A 14 9.920 5.578 0.396 1.00 1.87 H new ATOM 0 HB2 LYS A 14 12.559 6.404 -0.901 1.00 2.21 H new ATOM 0 HB3 LYS A 14 11.224 7.508 -0.643 1.00 2.21 H new ATOM 0 HG2 LYS A 14 11.463 7.484 1.701 1.00 2.57 H new ATOM 0 HG3 LYS A 14 12.191 5.889 1.720 1.00 2.57 H new ATOM 0 HD2 LYS A 14 13.618 8.243 0.432 1.00 3.10 H new ATOM 0 HD3 LYS A 14 13.717 7.972 2.160 1.00 3.10 H new ATOM 0 HE2 LYS A 14 14.483 5.864 0.095 1.00 3.51 H new ATOM 0 HE3 LYS A 14 15.630 7.000 0.777 1.00 3.51 H new ATOM 0 HZ1 LYS A 14 15.758 5.016 2.010 1.00 4.29 H new ATOM 0 HZ2 LYS A 14 14.974 6.148 3.004 1.00 4.29 H new ATOM 0 HZ3 LYS A 14 14.075 4.937 2.223 1.00 4.29 H new ATOM 215 N THR A 15 10.842 5.218 -2.732 1.00 1.80 N ATOM 216 CA THR A 15 10.436 5.349 -4.114 1.00 1.97 C ATOM 217 C THR A 15 10.297 3.961 -4.740 1.00 1.80 C ATOM 218 O THR A 15 10.467 3.806 -5.948 1.00 2.11 O ATOM 219 CB THR A 15 11.520 6.210 -4.773 1.00 2.31 C ATOM 220 OG1 THR A 15 12.792 5.745 -4.353 1.00 2.28 O ATOM 221 CG2 THR A 15 11.369 7.655 -4.285 1.00 2.90 C ATOM 0 H THR A 15 11.834 5.005 -2.627 1.00 1.80 H new ATOM 0 HA THR A 15 9.463 5.823 -4.240 1.00 1.97 H new ATOM 0 HB THR A 15 11.425 6.155 -5.857 1.00 2.31 H new ATOM 0 HG1 THR A 15 13.493 6.288 -4.770 1.00 2.28 H new ATOM 0 HG21 THR A 15 12.135 8.277 -4.747 1.00 2.90 H new ATOM 0 HG22 THR A 15 10.383 8.030 -4.559 1.00 2.90 H new ATOM 0 HG23 THR A 15 11.481 7.687 -3.201 1.00 2.90 H new ATOM 229 N ALA A 16 10.038 2.952 -3.904 1.00 1.49 N ATOM 230 CA ALA A 16 10.180 1.544 -4.237 1.00 1.35 C ATOM 231 C ALA A 16 9.529 1.154 -5.565 1.00 1.22 C ATOM 232 O ALA A 16 8.428 1.601 -5.893 1.00 1.32 O ATOM 233 CB ALA A 16 9.635 0.686 -3.100 1.00 1.45 C ATOM 0 H ALA A 16 9.714 3.104 -2.949 1.00 1.49 H new ATOM 0 HA ALA A 16 11.247 1.361 -4.366 1.00 1.35 H new ATOM 0 HB1 ALA A 16 9.744 -0.368 -3.355 1.00 1.45 H new ATOM 0 HB2 ALA A 16 10.190 0.897 -2.186 1.00 1.45 H new ATOM 0 HB3 ALA A 16 8.581 0.915 -2.945 1.00 1.45 H new ATOM 239 N GLU A 17 10.245 0.312 -6.308 1.00 1.23 N ATOM 240 CA GLU A 17 9.817 -0.313 -7.544 1.00 1.26 C ATOM 241 C GLU A 17 8.576 -1.179 -7.259 1.00 1.14 C ATOM 242 O GLU A 17 8.496 -1.809 -6.200 1.00 1.02 O ATOM 243 CB GLU A 17 11.029 -1.129 -8.041 1.00 1.55 C ATOM 244 CG GLU A 17 11.109 -1.358 -9.554 1.00 1.86 C ATOM 245 CD GLU A 17 10.521 -2.696 -9.937 1.00 2.05 C ATOM 246 OE1 GLU A 17 9.300 -2.743 -10.189 1.00 2.71 O ATOM 247 OE2 GLU A 17 11.295 -3.675 -9.946 1.00 3.10 O ATOM 0 H GLU A 17 11.191 0.037 -6.043 1.00 1.23 H new ATOM 0 HA GLU A 17 9.521 0.398 -8.315 1.00 1.26 H new ATOM 0 HB2 GLU A 17 11.939 -0.622 -7.722 1.00 1.55 H new ATOM 0 HB3 GLU A 17 11.015 -2.100 -7.547 1.00 1.55 H new ATOM 0 HG2 GLU A 17 10.576 -0.562 -10.073 1.00 1.86 H new ATOM 0 HG3 GLU A 17 12.149 -1.309 -9.877 1.00 1.86 H new ATOM 254 N GLU A 18 7.624 -1.238 -8.195 1.00 1.24 N ATOM 255 CA GLU A 18 6.384 -1.987 -8.025 1.00 1.24 C ATOM 256 C GLU A 18 6.693 -3.431 -7.647 1.00 1.19 C ATOM 257 O GLU A 18 6.009 -3.991 -6.798 1.00 1.16 O ATOM 258 CB GLU A 18 5.578 -1.980 -9.337 1.00 1.56 C ATOM 259 CG GLU A 18 4.362 -2.935 -9.338 1.00 3.09 C ATOM 260 CD GLU A 18 4.486 -4.062 -10.351 1.00 4.46 C ATOM 261 OE1 GLU A 18 4.229 -3.775 -11.536 1.00 4.58 O ATOM 262 OE2 GLU A 18 4.814 -5.212 -9.991 1.00 5.91 O ATOM 0 H GLU A 18 7.696 -0.764 -9.095 1.00 1.24 H new ATOM 0 HA GLU A 18 5.802 -1.515 -7.233 1.00 1.24 H new ATOM 0 HB2 GLU A 18 5.229 -0.966 -9.531 1.00 1.56 H new ATOM 0 HB3 GLU A 18 6.240 -2.252 -10.159 1.00 1.56 H new ATOM 0 HG2 GLU A 18 4.243 -3.362 -8.342 1.00 3.09 H new ATOM 0 HG3 GLU A 18 3.459 -2.363 -9.550 1.00 3.09 H new ATOM 269 N ARG A 19 7.709 -4.050 -8.245 1.00 1.27 N ATOM 270 CA ARG A 19 8.038 -5.426 -7.906 1.00 1.32 C ATOM 271 C ARG A 19 8.193 -5.585 -6.391 1.00 1.14 C ATOM 272 O ARG A 19 7.723 -6.567 -5.817 1.00 1.19 O ATOM 273 CB ARG A 19 9.294 -5.861 -8.661 1.00 1.55 C ATOM 274 CG ARG A 19 9.656 -7.336 -8.417 1.00 2.08 C ATOM 275 CD ARG A 19 10.984 -7.446 -7.657 1.00 3.39 C ATOM 276 NE ARG A 19 12.091 -6.864 -8.441 1.00 4.38 N ATOM 277 CZ ARG A 19 12.655 -7.436 -9.514 1.00 4.47 C ATOM 278 NH1 ARG A 19 12.433 -8.728 -9.753 1.00 4.09 N ATOM 279 NH2 ARG A 19 13.429 -6.731 -10.339 1.00 5.60 N ATOM 0 H ARG A 19 8.307 -3.627 -8.954 1.00 1.27 H new ATOM 0 HA ARG A 19 7.221 -6.079 -8.214 1.00 1.32 H new ATOM 0 HB2 ARG A 19 9.144 -5.700 -9.729 1.00 1.55 H new ATOM 0 HB3 ARG A 19 10.131 -5.231 -8.358 1.00 1.55 H new ATOM 0 HG2 ARG A 19 8.863 -7.821 -7.848 1.00 2.08 H new ATOM 0 HG3 ARG A 19 9.731 -7.860 -9.370 1.00 2.08 H new ATOM 0 HD2 ARG A 19 10.903 -6.932 -6.699 1.00 3.39 H new ATOM 0 HD3 ARG A 19 11.198 -8.493 -7.440 1.00 3.39 H new ATOM 0 HE ARG A 19 12.454 -5.958 -8.144 1.00 4.38 H new ATOM 0 HH11 ARG A 19 11.840 -9.269 -9.123 1.00 4.09 H new ATOM 0 HH12 ARG A 19 12.856 -9.176 -10.566 1.00 4.09 H new ATOM 0 HH21 ARG A 19 13.599 -5.742 -10.158 1.00 5.60 H new ATOM 0 HH22 ARG A 19 13.851 -7.181 -11.151 1.00 5.60 H new ATOM 293 N GLU A 20 8.828 -4.617 -5.731 1.00 1.00 N ATOM 294 CA GLU A 20 9.004 -4.666 -4.295 1.00 0.90 C ATOM 295 C GLU A 20 7.666 -4.357 -3.610 1.00 0.72 C ATOM 296 O GLU A 20 7.310 -5.009 -2.626 1.00 0.67 O ATOM 297 CB GLU A 20 10.118 -3.710 -3.881 1.00 1.00 C ATOM 298 CG GLU A 20 10.415 -3.878 -2.390 1.00 1.08 C ATOM 299 CD GLU A 20 11.508 -2.949 -1.924 1.00 1.85 C ATOM 300 OE1 GLU A 20 11.865 -2.027 -2.679 1.00 2.86 O ATOM 301 OE2 GLU A 20 11.979 -3.143 -0.783 1.00 2.56 O ATOM 0 H GLU A 20 9.227 -3.791 -6.177 1.00 1.00 H new ATOM 0 HA GLU A 20 9.308 -5.663 -3.978 1.00 0.90 H new ATOM 0 HB2 GLU A 20 11.017 -3.909 -4.465 1.00 1.00 H new ATOM 0 HB3 GLU A 20 9.824 -2.681 -4.089 1.00 1.00 H new ATOM 0 HG2 GLU A 20 9.508 -3.688 -1.816 1.00 1.08 H new ATOM 0 HG3 GLU A 20 10.707 -4.909 -2.192 1.00 1.08 H new ATOM 308 N ILE A 21 6.893 -3.402 -4.134 1.00 0.71 N ATOM 309 CA ILE A 21 5.558 -3.117 -3.613 1.00 0.68 C ATOM 310 C ILE A 21 4.740 -4.413 -3.593 1.00 0.72 C ATOM 311 O ILE A 21 4.053 -4.696 -2.617 1.00 0.71 O ATOM 312 CB ILE A 21 4.850 -2.023 -4.443 1.00 0.79 C ATOM 313 CG1 ILE A 21 5.584 -0.669 -4.421 1.00 0.83 C ATOM 314 CG2 ILE A 21 3.384 -1.844 -4.023 1.00 0.84 C ATOM 315 CD1 ILE A 21 5.419 0.081 -3.098 1.00 0.81 C ATOM 0 H ILE A 21 7.171 -2.814 -4.919 1.00 0.71 H new ATOM 0 HA ILE A 21 5.648 -2.733 -2.597 1.00 0.68 H new ATOM 0 HB ILE A 21 4.875 -2.382 -5.472 1.00 0.79 H new ATOM 0 HG12 ILE A 21 6.645 -0.834 -4.608 1.00 0.83 H new ATOM 0 HG13 ILE A 21 5.210 -0.046 -5.234 1.00 0.83 H new ATOM 0 HG21 ILE A 21 2.924 -1.066 -4.631 1.00 0.84 H new ATOM 0 HG22 ILE A 21 2.847 -2.782 -4.167 1.00 0.84 H new ATOM 0 HG23 ILE A 21 3.339 -1.557 -2.972 1.00 0.84 H new ATOM 0 HD11 ILE A 21 5.959 1.027 -3.146 1.00 0.81 H new ATOM 0 HD12 ILE A 21 4.361 0.276 -2.920 1.00 0.81 H new ATOM 0 HD13 ILE A 21 5.819 -0.524 -2.284 1.00 0.81 H new ATOM 327 N ARG A 22 4.832 -5.234 -4.638 1.00 0.83 N ATOM 328 CA ARG A 22 4.098 -6.483 -4.757 1.00 0.93 C ATOM 329 C ARG A 22 4.520 -7.453 -3.645 1.00 0.89 C ATOM 330 O ARG A 22 3.754 -8.355 -3.290 1.00 1.17 O ATOM 331 CB ARG A 22 4.353 -7.108 -6.139 1.00 1.09 C ATOM 332 CG ARG A 22 3.063 -7.363 -6.929 1.00 1.23 C ATOM 333 CD ARG A 22 2.519 -6.027 -7.450 1.00 1.17 C ATOM 334 NE ARG A 22 1.434 -6.188 -8.431 1.00 1.51 N ATOM 335 CZ ARG A 22 0.124 -6.078 -8.172 1.00 2.12 C ATOM 336 NH1 ARG A 22 -0.317 -6.158 -6.916 1.00 3.51 N ATOM 337 NH2 ARG A 22 -0.713 -5.864 -9.183 1.00 2.47 N ATOM 0 H ARG A 22 5.433 -5.041 -5.440 1.00 0.83 H new ATOM 0 HA ARG A 22 3.032 -6.281 -4.653 1.00 0.93 H new ATOM 0 HB2 ARG A 22 5.001 -6.448 -6.716 1.00 1.09 H new ATOM 0 HB3 ARG A 22 4.887 -8.050 -6.013 1.00 1.09 H new ATOM 0 HG2 ARG A 22 3.260 -8.039 -7.761 1.00 1.23 H new ATOM 0 HG3 ARG A 22 2.322 -7.848 -6.293 1.00 1.23 H new ATOM 0 HD2 ARG A 22 2.155 -5.437 -6.609 1.00 1.17 H new ATOM 0 HD3 ARG A 22 3.333 -5.464 -7.907 1.00 1.17 H new ATOM 0 HE ARG A 22 1.702 -6.402 -9.391 1.00 1.51 H new ATOM 0 HH11 ARG A 22 0.343 -6.303 -6.152 1.00 3.51 H new ATOM 0 HH12 ARG A 22 -1.314 -6.074 -6.719 1.00 3.51 H new ATOM 0 HH21 ARG A 22 -0.354 -5.787 -10.135 1.00 2.47 H new ATOM 0 HH22 ARG A 22 -1.714 -5.777 -9.007 1.00 2.47 H new ATOM 351 N LYS A 23 5.741 -7.326 -3.114 1.00 0.76 N ATOM 352 CA LYS A 23 6.168 -8.030 -1.935 1.00 0.76 C ATOM 353 C LYS A 23 5.462 -7.468 -0.714 1.00 0.65 C ATOM 354 O LYS A 23 4.805 -8.215 0.003 1.00 0.66 O ATOM 355 CB LYS A 23 7.688 -7.985 -1.713 1.00 0.91 C ATOM 356 CG LYS A 23 8.553 -8.271 -2.939 1.00 1.27 C ATOM 357 CD LYS A 23 8.406 -9.705 -3.450 1.00 1.42 C ATOM 358 CE LYS A 23 9.490 -10.024 -4.488 1.00 1.74 C ATOM 359 NZ LYS A 23 10.849 -9.933 -3.921 1.00 3.45 N ATOM 0 H LYS A 23 6.459 -6.719 -3.509 1.00 0.76 H new ATOM 0 HA LYS A 23 5.901 -9.076 -2.087 1.00 0.76 H new ATOM 0 HB2 LYS A 23 7.950 -6.999 -1.330 1.00 0.91 H new ATOM 0 HB3 LYS A 23 7.943 -8.706 -0.937 1.00 0.91 H new ATOM 0 HG2 LYS A 23 8.285 -7.577 -3.736 1.00 1.27 H new ATOM 0 HG3 LYS A 23 9.598 -8.084 -2.692 1.00 1.27 H new ATOM 0 HD2 LYS A 23 8.478 -10.403 -2.616 1.00 1.42 H new ATOM 0 HD3 LYS A 23 7.420 -9.839 -3.894 1.00 1.42 H new ATOM 0 HE2 LYS A 23 9.329 -11.027 -4.882 1.00 1.74 H new ATOM 0 HE3 LYS A 23 9.401 -9.334 -5.327 1.00 1.74 H new ATOM 0 HZ1 LYS A 23 11.382 -10.795 -4.156 1.00 3.45 H new ATOM 0 HZ2 LYS A 23 11.337 -9.105 -4.319 1.00 3.45 H new ATOM 0 HZ3 LYS A 23 10.788 -9.835 -2.887 1.00 3.45 H new ATOM 373 N ALA A 24 5.635 -6.171 -0.456 1.00 0.62 N ATOM 374 CA ALA A 24 5.143 -5.557 0.766 1.00 0.60 C ATOM 375 C ALA A 24 3.630 -5.734 0.871 1.00 0.51 C ATOM 376 O ALA A 24 3.131 -6.271 1.853 1.00 0.56 O ATOM 377 CB ALA A 24 5.556 -4.087 0.812 1.00 0.67 C ATOM 0 H ALA A 24 6.116 -5.527 -1.084 1.00 0.62 H new ATOM 0 HA ALA A 24 5.588 -6.051 1.630 1.00 0.60 H new ATOM 0 HB1 ALA A 24 5.184 -3.633 1.730 1.00 0.67 H new ATOM 0 HB2 ALA A 24 6.643 -4.014 0.785 1.00 0.67 H new ATOM 0 HB3 ALA A 24 5.136 -3.564 -0.047 1.00 0.67 H new ATOM 383 N TYR A 25 2.901 -5.355 -0.172 1.00 0.48 N ATOM 384 CA TYR A 25 1.453 -5.450 -0.221 1.00 0.52 C ATOM 385 C TYR A 25 1.020 -6.881 0.098 1.00 0.59 C ATOM 386 O TYR A 25 0.199 -7.091 0.990 1.00 0.65 O ATOM 387 CB TYR A 25 0.990 -4.999 -1.616 1.00 0.63 C ATOM 388 CG TYR A 25 -0.447 -5.326 -1.968 1.00 0.64 C ATOM 389 CD1 TYR A 25 -1.490 -4.447 -1.620 1.00 1.98 C ATOM 390 CD2 TYR A 25 -0.735 -6.506 -2.678 1.00 2.10 C ATOM 391 CE1 TYR A 25 -2.816 -4.761 -1.965 1.00 1.91 C ATOM 392 CE2 TYR A 25 -2.063 -6.833 -2.991 1.00 2.38 C ATOM 393 CZ TYR A 25 -3.107 -5.977 -2.606 1.00 1.20 C ATOM 394 OH TYR A 25 -4.401 -6.352 -2.798 1.00 1.52 O ATOM 0 H TYR A 25 3.311 -4.966 -1.021 1.00 0.48 H new ATOM 0 HA TYR A 25 0.990 -4.803 0.524 1.00 0.52 H new ATOM 0 HB2 TYR A 25 1.127 -3.920 -1.693 1.00 0.63 H new ATOM 0 HB3 TYR A 25 1.641 -5.457 -2.361 1.00 0.63 H new ATOM 0 HD1 TYR A 25 -1.272 -3.532 -1.089 1.00 1.98 H new ATOM 0 HD2 TYR A 25 0.068 -7.161 -2.983 1.00 2.10 H new ATOM 0 HE1 TYR A 25 -3.612 -4.067 -1.737 1.00 1.91 H new ATOM 0 HE2 TYR A 25 -2.282 -7.744 -3.528 1.00 2.38 H new ATOM 0 HH TYR A 25 -4.426 -7.218 -3.256 1.00 1.52 H new ATOM 404 N LYS A 26 1.603 -7.867 -0.590 1.00 0.64 N ATOM 405 CA LYS A 26 1.306 -9.262 -0.338 1.00 0.77 C ATOM 406 C LYS A 26 1.543 -9.590 1.137 1.00 0.85 C ATOM 407 O LYS A 26 0.685 -10.144 1.821 1.00 1.02 O ATOM 408 CB LYS A 26 2.177 -10.121 -1.266 1.00 0.82 C ATOM 409 CG LYS A 26 2.180 -11.593 -0.850 1.00 1.79 C ATOM 410 CD LYS A 26 2.803 -12.513 -1.902 1.00 2.35 C ATOM 411 CE LYS A 26 4.165 -12.038 -2.446 1.00 3.55 C ATOM 412 NZ LYS A 26 4.045 -11.152 -3.624 1.00 4.79 N ATOM 0 H LYS A 26 2.288 -7.713 -1.330 1.00 0.64 H new ATOM 0 HA LYS A 26 0.258 -9.476 -0.548 1.00 0.77 H new ATOM 0 HB2 LYS A 26 1.811 -10.034 -2.289 1.00 0.82 H new ATOM 0 HB3 LYS A 26 3.198 -9.740 -1.259 1.00 0.82 H new ATOM 0 HG2 LYS A 26 2.728 -11.699 0.086 1.00 1.79 H new ATOM 0 HG3 LYS A 26 1.156 -11.912 -0.658 1.00 1.79 H new ATOM 0 HD2 LYS A 26 2.926 -13.506 -1.470 1.00 2.35 H new ATOM 0 HD3 LYS A 26 2.108 -12.612 -2.736 1.00 2.35 H new ATOM 0 HE2 LYS A 26 4.701 -11.511 -1.656 1.00 3.55 H new ATOM 0 HE3 LYS A 26 4.766 -12.908 -2.713 1.00 3.55 H new ATOM 0 HZ1 LYS A 26 4.888 -11.256 -4.224 1.00 4.79 H new ATOM 0 HZ2 LYS A 26 3.198 -11.412 -4.169 1.00 4.79 H new ATOM 0 HZ3 LYS A 26 3.964 -10.164 -3.309 1.00 4.79 H new ATOM 426 N ARG A 27 2.750 -9.280 1.598 1.00 0.78 N ATOM 427 CA ARG A 27 3.215 -9.619 2.924 1.00 0.84 C ATOM 428 C ARG A 27 2.228 -9.099 3.966 1.00 0.81 C ATOM 429 O ARG A 27 1.812 -9.846 4.852 1.00 0.90 O ATOM 430 CB ARG A 27 4.622 -9.032 3.121 1.00 0.91 C ATOM 431 CG ARG A 27 5.171 -9.227 4.537 1.00 1.91 C ATOM 432 CD ARG A 27 6.582 -8.632 4.633 1.00 2.00 C ATOM 433 NE ARG A 27 7.076 -8.611 6.019 1.00 2.82 N ATOM 434 CZ ARG A 27 7.564 -9.664 6.691 1.00 3.89 C ATOM 435 NH1 ARG A 27 7.466 -10.882 6.156 1.00 4.62 N ATOM 436 NH2 ARG A 27 8.119 -9.492 7.888 1.00 4.87 N ATOM 0 H ARG A 27 3.441 -8.776 1.043 1.00 0.78 H new ATOM 0 HA ARG A 27 3.275 -10.701 3.044 1.00 0.84 H new ATOM 0 HB2 ARG A 27 5.304 -9.496 2.408 1.00 0.91 H new ATOM 0 HB3 ARG A 27 4.598 -7.967 2.892 1.00 0.91 H new ATOM 0 HG2 ARG A 27 4.513 -8.746 5.261 1.00 1.91 H new ATOM 0 HG3 ARG A 27 5.196 -10.288 4.784 1.00 1.91 H new ATOM 0 HD2 ARG A 27 7.264 -9.214 4.013 1.00 2.00 H new ATOM 0 HD3 ARG A 27 6.576 -7.618 4.234 1.00 2.00 H new ATOM 0 HE ARG A 27 7.045 -7.718 6.511 1.00 2.82 H new ATOM 0 HH11 ARG A 27 7.024 -11.005 5.245 1.00 4.62 H new ATOM 0 HH12 ARG A 27 7.834 -11.690 6.658 1.00 4.62 H new ATOM 0 HH21 ARG A 27 8.174 -8.559 8.295 1.00 4.87 H new ATOM 0 HH22 ARG A 27 8.490 -10.294 8.398 1.00 4.87 H new ATOM 450 N LEU A 28 1.878 -7.818 3.879 1.00 0.71 N ATOM 451 CA LEU A 28 1.024 -7.190 4.863 1.00 0.67 C ATOM 452 C LEU A 28 -0.381 -7.775 4.759 1.00 0.75 C ATOM 453 O LEU A 28 -1.001 -8.055 5.782 1.00 0.87 O ATOM 454 CB LEU A 28 1.001 -5.673 4.688 1.00 0.73 C ATOM 455 CG LEU A 28 2.187 -4.973 5.371 1.00 0.91 C ATOM 456 CD1 LEU A 28 3.434 -4.996 4.489 1.00 2.04 C ATOM 457 CD2 LEU A 28 1.833 -3.516 5.680 1.00 1.56 C ATOM 0 H LEU A 28 2.180 -7.197 3.128 1.00 0.71 H new ATOM 0 HA LEU A 28 1.422 -7.392 5.857 1.00 0.67 H new ATOM 0 HB2 LEU A 28 1.009 -5.435 3.624 1.00 0.73 H new ATOM 0 HB3 LEU A 28 0.070 -5.280 5.096 1.00 0.73 H new ATOM 0 HG LEU A 28 2.397 -5.515 6.293 1.00 0.91 H new ATOM 0 HD11 LEU A 28 4.253 -4.493 5.003 1.00 2.04 H new ATOM 0 HD12 LEU A 28 3.715 -6.029 4.283 1.00 2.04 H new ATOM 0 HD13 LEU A 28 3.225 -4.483 3.550 1.00 2.04 H new ATOM 0 HD21 LEU A 28 2.681 -3.030 6.164 1.00 1.56 H new ATOM 0 HD22 LEU A 28 1.597 -2.994 4.753 1.00 1.56 H new ATOM 0 HD23 LEU A 28 0.969 -3.484 6.344 1.00 1.56 H new ATOM 469 N ALA A 29 -0.872 -8.017 3.542 1.00 0.78 N ATOM 470 CA ALA A 29 -2.191 -8.601 3.344 1.00 0.93 C ATOM 471 C ALA A 29 -2.338 -9.915 4.125 1.00 1.07 C ATOM 472 O ALA A 29 -3.428 -10.222 4.612 1.00 1.28 O ATOM 473 CB ALA A 29 -2.452 -8.787 1.846 1.00 1.04 C ATOM 0 H ALA A 29 -0.370 -7.815 2.678 1.00 0.78 H new ATOM 0 HA ALA A 29 -2.946 -7.921 3.738 1.00 0.93 H new ATOM 0 HB1 ALA A 29 -3.440 -9.224 1.700 1.00 1.04 H new ATOM 0 HB2 ALA A 29 -2.406 -7.820 1.346 1.00 1.04 H new ATOM 0 HB3 ALA A 29 -1.696 -9.450 1.425 1.00 1.04 H new ATOM 479 N MET A 30 -1.241 -10.666 4.264 1.00 1.08 N ATOM 480 CA MET A 30 -1.156 -11.925 4.984 1.00 1.22 C ATOM 481 C MET A 30 -0.803 -11.764 6.474 1.00 1.14 C ATOM 482 O MET A 30 -0.767 -12.755 7.209 1.00 1.28 O ATOM 483 CB MET A 30 -0.101 -12.799 4.298 1.00 1.45 C ATOM 484 CG MET A 30 -0.472 -13.156 2.856 1.00 2.77 C ATOM 485 SD MET A 30 0.933 -13.713 1.861 1.00 3.15 S ATOM 486 CE MET A 30 0.035 -14.129 0.360 1.00 4.34 C ATOM 0 H MET A 30 -0.348 -10.392 3.854 1.00 1.08 H new ATOM 0 HA MET A 30 -2.144 -12.386 4.956 1.00 1.22 H new ATOM 0 HB2 MET A 30 0.856 -12.277 4.303 1.00 1.45 H new ATOM 0 HB3 MET A 30 0.033 -13.716 4.871 1.00 1.45 H new ATOM 0 HG2 MET A 30 -1.230 -13.939 2.868 1.00 2.77 H new ATOM 0 HG3 MET A 30 -0.921 -12.285 2.379 1.00 2.77 H new ATOM 0 HE1 MET A 30 0.743 -14.362 -0.435 1.00 4.34 H new ATOM 0 HE2 MET A 30 -0.601 -14.995 0.545 1.00 4.34 H new ATOM 0 HE3 MET A 30 -0.582 -13.283 0.059 1.00 4.34 H new ATOM 496 N LYS A 31 -0.474 -10.555 6.926 1.00 1.23 N ATOM 497 CA LYS A 31 -0.038 -10.271 8.287 1.00 1.27 C ATOM 498 C LYS A 31 -1.229 -10.320 9.239 1.00 1.38 C ATOM 499 O LYS A 31 -1.128 -10.835 10.352 1.00 1.63 O ATOM 500 CB LYS A 31 0.628 -8.890 8.316 1.00 1.37 C ATOM 501 CG LYS A 31 1.461 -8.612 9.575 1.00 1.55 C ATOM 502 CD LYS A 31 2.843 -9.280 9.525 1.00 2.00 C ATOM 503 CE LYS A 31 3.839 -8.558 8.599 1.00 2.95 C ATOM 504 NZ LYS A 31 4.571 -7.481 9.292 1.00 3.66 N ATOM 0 H LYS A 31 -0.505 -9.724 6.336 1.00 1.23 H new ATOM 0 HA LYS A 31 0.682 -11.022 8.612 1.00 1.27 H new ATOM 0 HB2 LYS A 31 1.271 -8.792 7.441 1.00 1.37 H new ATOM 0 HB3 LYS A 31 -0.145 -8.126 8.231 1.00 1.37 H new ATOM 0 HG2 LYS A 31 1.585 -7.536 9.694 1.00 1.55 H new ATOM 0 HG3 LYS A 31 0.920 -8.969 10.451 1.00 1.55 H new ATOM 0 HD2 LYS A 31 3.257 -9.317 10.533 1.00 2.00 H new ATOM 0 HD3 LYS A 31 2.728 -10.311 9.189 1.00 2.00 H new ATOM 0 HE2 LYS A 31 4.552 -9.281 8.202 1.00 2.95 H new ATOM 0 HE3 LYS A 31 3.302 -8.139 7.748 1.00 2.95 H new ATOM 0 HZ1 LYS A 31 5.229 -7.025 8.628 1.00 3.66 H new ATOM 0 HZ2 LYS A 31 3.895 -6.776 9.649 1.00 3.66 H new ATOM 0 HZ3 LYS A 31 5.106 -7.882 10.089 1.00 3.66 H new ATOM 518 N TYR A 32 -2.346 -9.754 8.791 1.00 1.48 N ATOM 519 CA TYR A 32 -3.635 -9.730 9.472 1.00 1.85 C ATOM 520 C TYR A 32 -4.602 -10.613 8.680 1.00 1.88 C ATOM 521 O TYR A 32 -5.760 -10.264 8.460 1.00 2.35 O ATOM 522 CB TYR A 32 -4.101 -8.271 9.608 1.00 2.16 C ATOM 523 CG TYR A 32 -3.884 -7.398 8.383 1.00 1.76 C ATOM 524 CD1 TYR A 32 -4.688 -7.552 7.238 1.00 3.21 C ATOM 525 CD2 TYR A 32 -2.791 -6.512 8.348 1.00 1.91 C ATOM 526 CE1 TYR A 32 -4.335 -6.917 6.040 1.00 3.94 C ATOM 527 CE2 TYR A 32 -2.491 -5.808 7.171 1.00 2.75 C ATOM 528 CZ TYR A 32 -3.235 -6.050 6.005 1.00 3.50 C ATOM 529 OH TYR A 32 -2.814 -5.542 4.816 1.00 4.78 O ATOM 0 H TYR A 32 -2.377 -9.273 7.892 1.00 1.48 H new ATOM 0 HA TYR A 32 -3.578 -10.131 10.484 1.00 1.85 H new ATOM 0 HB2 TYR A 32 -5.164 -8.268 9.851 1.00 2.16 H new ATOM 0 HB3 TYR A 32 -3.580 -7.819 10.452 1.00 2.16 H new ATOM 0 HD1 TYR A 32 -5.579 -8.161 7.283 1.00 3.21 H new ATOM 0 HD2 TYR A 32 -2.182 -6.373 9.229 1.00 1.91 H new ATOM 0 HE1 TYR A 32 -4.911 -7.096 5.144 1.00 3.94 H new ATOM 0 HE2 TYR A 32 -1.691 -5.083 7.162 1.00 2.75 H new ATOM 0 HH TYR A 32 -3.384 -5.882 4.095 1.00 4.78 H new ATOM 539 N HIS A 33 -4.078 -11.747 8.216 1.00 1.68 N ATOM 540 CA HIS A 33 -4.702 -12.675 7.284 1.00 1.76 C ATOM 541 C HIS A 33 -6.215 -12.821 7.514 1.00 2.07 C ATOM 542 O HIS A 33 -6.632 -12.977 8.667 1.00 2.24 O ATOM 543 CB HIS A 33 -4.014 -14.033 7.416 1.00 1.94 C ATOM 544 CG HIS A 33 -4.355 -15.013 6.330 1.00 2.38 C ATOM 545 ND1 HIS A 33 -5.203 -16.085 6.465 1.00 3.37 N ATOM 546 CD2 HIS A 33 -3.674 -15.169 5.153 1.00 2.99 C ATOM 547 CE1 HIS A 33 -5.011 -16.890 5.410 1.00 3.73 C ATOM 548 NE2 HIS A 33 -4.084 -16.376 4.581 1.00 3.56 N ATOM 0 H HIS A 33 -3.149 -12.058 8.501 1.00 1.68 H new ATOM 0 HA HIS A 33 -4.581 -12.277 6.277 1.00 1.76 H new ATOM 0 HB2 HIS A 33 -2.935 -13.880 7.424 1.00 1.94 H new ATOM 0 HB3 HIS A 33 -4.281 -14.469 8.378 1.00 1.94 H new ATOM 0 HD1 HIS A 33 -5.860 -16.241 7.230 1.00 3.37 H new ATOM 0 HD2 HIS A 33 -2.950 -14.482 4.740 1.00 2.99 H new ATOM 0 HE1 HIS A 33 -5.530 -17.823 5.248 1.00 3.73 H new ATOM 556 N PRO A 34 -7.026 -12.752 6.444 1.00 2.55 N ATOM 557 CA PRO A 34 -8.469 -12.783 6.554 1.00 3.07 C ATOM 558 C PRO A 34 -8.957 -14.146 7.042 1.00 3.08 C ATOM 559 O PRO A 34 -9.162 -14.293 8.240 1.00 3.32 O ATOM 560 CB PRO A 34 -9.026 -12.346 5.198 1.00 3.82 C ATOM 561 CG PRO A 34 -7.881 -12.600 4.221 1.00 3.80 C ATOM 562 CD PRO A 34 -6.624 -12.458 5.078 1.00 2.92 C ATOM 0 HA PRO A 34 -8.839 -12.093 7.312 1.00 3.07 H new ATOM 0 HB2 PRO A 34 -9.913 -12.919 4.929 1.00 3.82 H new ATOM 0 HB3 PRO A 34 -9.316 -11.295 5.207 1.00 3.82 H new ATOM 0 HG2 PRO A 34 -7.950 -13.592 3.775 1.00 3.80 H new ATOM 0 HG3 PRO A 34 -7.889 -11.881 3.402 1.00 3.80 H new ATOM 0 HD2 PRO A 34 -5.847 -13.146 4.745 1.00 2.92 H new ATOM 0 HD3 PRO A 34 -6.213 -11.451 5.002 1.00 2.92 H new ATOM 570 N ASP A 35 -9.178 -15.107 6.137 1.00 3.99 N ATOM 571 CA ASP A 35 -9.646 -16.466 6.416 1.00 4.25 C ATOM 572 C ASP A 35 -10.612 -16.550 7.598 1.00 3.99 C ATOM 573 O ASP A 35 -10.229 -16.758 8.749 1.00 4.32 O ATOM 574 CB ASP A 35 -8.517 -17.503 6.401 1.00 4.79 C ATOM 575 CG ASP A 35 -7.818 -17.756 7.717 1.00 4.50 C ATOM 576 OD1 ASP A 35 -7.151 -16.837 8.230 1.00 4.69 O ATOM 577 OD2 ASP A 35 -7.816 -18.931 8.132 1.00 5.08 O ATOM 0 H ASP A 35 -9.027 -14.948 5.141 1.00 3.99 H new ATOM 0 HA ASP A 35 -10.271 -16.756 5.572 1.00 4.25 H new ATOM 0 HB2 ASP A 35 -8.926 -18.448 6.045 1.00 4.79 H new ATOM 0 HB3 ASP A 35 -7.770 -17.184 5.674 1.00 4.79 H new ATOM 582 N ARG A 36 -11.901 -16.353 7.318 1.00 4.19 N ATOM 583 CA ARG A 36 -12.956 -16.181 8.292 1.00 4.00 C ATOM 584 C ARG A 36 -12.831 -14.993 9.262 1.00 3.72 C ATOM 585 O ARG A 36 -13.869 -14.521 9.722 1.00 4.30 O ATOM 586 CB ARG A 36 -13.426 -17.500 8.928 1.00 4.34 C ATOM 587 CG ARG A 36 -12.715 -18.821 8.565 1.00 5.49 C ATOM 588 CD ARG A 36 -12.838 -19.851 9.695 1.00 5.57 C ATOM 589 NE ARG A 36 -11.774 -19.632 10.695 1.00 5.02 N ATOM 590 CZ ARG A 36 -11.893 -19.352 11.999 1.00 5.22 C ATOM 591 NH1 ARG A 36 -13.092 -19.325 12.586 1.00 6.01 N ATOM 592 NH2 ARG A 36 -10.816 -19.098 12.737 1.00 5.48 N ATOM 0 H ARG A 36 -12.244 -16.309 6.358 1.00 4.19 H new ATOM 0 HA ARG A 36 -13.792 -15.843 7.679 1.00 4.00 H new ATOM 0 HB2 ARG A 36 -13.360 -17.381 10.010 1.00 4.34 H new ATOM 0 HB3 ARG A 36 -14.482 -17.621 8.684 1.00 4.34 H new ATOM 0 HG2 ARG A 36 -13.146 -19.229 7.650 1.00 5.49 H new ATOM 0 HG3 ARG A 36 -11.662 -18.625 8.362 1.00 5.49 H new ATOM 0 HD2 ARG A 36 -13.816 -19.769 10.169 1.00 5.57 H new ATOM 0 HD3 ARG A 36 -12.765 -20.860 9.289 1.00 5.57 H new ATOM 0 HE ARG A 36 -10.819 -19.704 10.345 1.00 5.02 H new ATOM 0 HH11 ARG A 36 -13.932 -19.519 12.040 1.00 6.01 H new ATOM 0 HH12 ARG A 36 -13.168 -19.110 13.580 1.00 6.01 H new ATOM 0 HH21 ARG A 36 -9.890 -19.116 12.310 1.00 5.48 H new ATOM 0 HH22 ARG A 36 -10.916 -18.886 13.730 1.00 5.48 H new ATOM 606 N ASN A 37 -11.626 -14.493 9.555 1.00 3.34 N ATOM 607 CA ASN A 37 -11.358 -13.302 10.365 1.00 3.24 C ATOM 608 C ASN A 37 -12.359 -13.141 11.502 1.00 3.31 C ATOM 609 O ASN A 37 -13.026 -12.117 11.629 1.00 3.50 O ATOM 610 CB ASN A 37 -11.209 -12.038 9.496 1.00 3.41 C ATOM 611 CG ASN A 37 -12.472 -11.532 8.806 1.00 4.90 C ATOM 612 OD1 ASN A 37 -12.797 -11.959 7.699 1.00 6.40 O ATOM 613 ND2 ASN A 37 -13.146 -10.539 9.374 1.00 5.23 N ATOM 0 H ASN A 37 -10.769 -14.930 9.216 1.00 3.34 H new ATOM 0 HA ASN A 37 -10.391 -13.449 10.847 1.00 3.24 H new ATOM 0 HB2 ASN A 37 -10.819 -11.237 10.124 1.00 3.41 H new ATOM 0 HB3 ASN A 37 -10.459 -12.237 8.731 1.00 3.41 H new ATOM 0 HD21 ASN A 37 -13.942 -10.122 8.892 1.00 5.23 H new ATOM 0 HD22 ASN A 37 -12.867 -10.193 10.292 1.00 5.23 H new ATOM 620 N GLN A 38 -12.507 -14.173 12.335 1.00 3.77 N ATOM 621 CA GLN A 38 -13.590 -14.183 13.304 1.00 4.40 C ATOM 622 C GLN A 38 -13.433 -12.997 14.258 1.00 4.20 C ATOM 623 O GLN A 38 -12.385 -12.841 14.889 1.00 4.58 O ATOM 624 CB GLN A 38 -13.696 -15.538 14.012 1.00 5.40 C ATOM 625 CG GLN A 38 -12.479 -15.938 14.852 1.00 6.40 C ATOM 626 CD GLN A 38 -12.692 -17.326 15.433 1.00 7.86 C ATOM 627 OE1 GLN A 38 -12.135 -18.311 14.950 1.00 8.89 O ATOM 628 NE2 GLN A 38 -13.563 -17.437 16.417 1.00 8.45 N ATOM 0 H GLN A 38 -11.902 -14.994 12.355 1.00 3.77 H new ATOM 0 HA GLN A 38 -14.544 -14.058 12.791 1.00 4.40 H new ATOM 0 HB2 GLN A 38 -14.573 -15.523 14.659 1.00 5.40 H new ATOM 0 HB3 GLN A 38 -13.867 -16.309 13.261 1.00 5.40 H new ATOM 0 HG2 GLN A 38 -11.580 -15.925 14.236 1.00 6.40 H new ATOM 0 HG3 GLN A 38 -12.326 -15.217 15.655 1.00 6.40 H new ATOM 0 HE21 GLN A 38 -14.010 -16.603 16.799 1.00 8.45 H new ATOM 0 HE22 GLN A 38 -13.790 -18.356 16.796 1.00 8.45 H new ATOM 637 N GLY A 39 -14.417 -12.104 14.297 1.00 4.11 N ATOM 638 CA GLY A 39 -14.340 -10.880 15.072 1.00 4.12 C ATOM 639 C GLY A 39 -13.523 -9.817 14.340 1.00 3.83 C ATOM 640 O GLY A 39 -13.997 -8.694 14.168 1.00 3.86 O ATOM 0 H GLY A 39 -15.294 -12.214 13.787 1.00 4.11 H new ATOM 0 HA2 GLY A 39 -15.345 -10.503 15.263 1.00 4.12 H new ATOM 0 HA3 GLY A 39 -13.887 -11.088 16.042 1.00 4.12 H new ATOM 644 N ASP A 40 -12.307 -10.154 13.905 1.00 3.75 N ATOM 645 CA ASP A 40 -11.308 -9.201 13.430 1.00 3.72 C ATOM 646 C ASP A 40 -11.890 -8.310 12.332 1.00 3.74 C ATOM 647 O ASP A 40 -12.737 -8.735 11.550 1.00 4.60 O ATOM 648 CB ASP A 40 -10.077 -9.960 12.929 1.00 3.90 C ATOM 649 CG ASP A 40 -9.019 -9.082 12.298 1.00 4.28 C ATOM 650 OD1 ASP A 40 -8.983 -7.856 12.548 1.00 3.92 O ATOM 651 OD2 ASP A 40 -8.206 -9.675 11.560 1.00 5.50 O ATOM 0 H ASP A 40 -11.984 -11.121 13.873 1.00 3.75 H new ATOM 0 HA ASP A 40 -11.010 -8.553 14.254 1.00 3.72 H new ATOM 0 HB2 ASP A 40 -9.633 -10.501 13.765 1.00 3.90 H new ATOM 0 HB3 ASP A 40 -10.396 -10.706 12.201 1.00 3.90 H new ATOM 656 N LYS A 41 -11.491 -7.049 12.364 1.00 3.09 N ATOM 657 CA LYS A 41 -12.071 -5.915 11.665 1.00 2.82 C ATOM 658 C LYS A 41 -10.984 -4.877 11.440 1.00 2.40 C ATOM 659 O LYS A 41 -10.966 -4.226 10.399 1.00 2.12 O ATOM 660 CB LYS A 41 -13.206 -5.303 12.505 1.00 3.10 C ATOM 661 CG LYS A 41 -14.590 -5.711 11.988 1.00 3.90 C ATOM 662 CD LYS A 41 -15.639 -5.830 13.103 1.00 4.87 C ATOM 663 CE LYS A 41 -16.165 -4.502 13.670 1.00 4.23 C ATOM 664 NZ LYS A 41 -15.126 -3.635 14.267 1.00 4.64 N ATOM 0 H LYS A 41 -10.687 -6.770 12.926 1.00 3.09 H new ATOM 0 HA LYS A 41 -12.481 -6.241 10.709 1.00 2.82 H new ATOM 0 HB2 LYS A 41 -13.099 -5.619 13.543 1.00 3.10 H new ATOM 0 HB3 LYS A 41 -13.121 -4.216 12.492 1.00 3.10 H new ATOM 0 HG2 LYS A 41 -14.928 -4.978 11.256 1.00 3.90 H new ATOM 0 HG3 LYS A 41 -14.510 -6.666 11.469 1.00 3.90 H new ATOM 0 HD2 LYS A 41 -16.485 -6.401 12.721 1.00 4.87 H new ATOM 0 HD3 LYS A 41 -15.209 -6.408 13.921 1.00 4.87 H new ATOM 0 HE2 LYS A 41 -16.664 -3.953 12.871 1.00 4.23 H new ATOM 0 HE3 LYS A 41 -16.919 -4.718 14.427 1.00 4.23 H new ATOM 0 HZ1 LYS A 41 -15.567 -2.983 14.947 1.00 4.64 H new ATOM 0 HZ2 LYS A 41 -14.423 -4.223 14.757 1.00 4.64 H new ATOM 0 HZ3 LYS A 41 -14.657 -3.088 13.517 1.00 4.64 H new ATOM 678 N GLU A 42 -10.091 -4.679 12.410 1.00 2.41 N ATOM 679 CA GLU A 42 -8.969 -3.812 12.275 1.00 2.20 C ATOM 680 C GLU A 42 -8.204 -4.178 11.003 1.00 1.84 C ATOM 681 O GLU A 42 -7.788 -3.296 10.265 1.00 1.56 O ATOM 682 CB GLU A 42 -8.131 -3.982 13.545 1.00 2.73 C ATOM 683 CG GLU A 42 -7.252 -2.756 13.616 1.00 2.50 C ATOM 684 CD GLU A 42 -6.100 -2.916 14.565 1.00 3.19 C ATOM 685 OE1 GLU A 42 -5.197 -3.724 14.287 1.00 4.17 O ATOM 686 OE2 GLU A 42 -6.077 -2.175 15.566 1.00 3.46 O ATOM 0 H GLU A 42 -10.147 -5.135 13.320 1.00 2.41 H new ATOM 0 HA GLU A 42 -9.253 -2.764 12.174 1.00 2.20 H new ATOM 0 HB2 GLU A 42 -8.767 -4.061 14.427 1.00 2.73 H new ATOM 0 HB3 GLU A 42 -7.532 -4.892 13.501 1.00 2.73 H new ATOM 0 HG2 GLU A 42 -6.868 -2.533 12.621 1.00 2.50 H new ATOM 0 HG3 GLU A 42 -7.854 -1.901 13.924 1.00 2.50 H new ATOM 693 N ALA A 43 -8.070 -5.472 10.721 1.00 1.93 N ATOM 694 CA ALA A 43 -7.467 -5.982 9.515 1.00 1.80 C ATOM 695 C ALA A 43 -7.964 -5.266 8.271 1.00 1.35 C ATOM 696 O ALA A 43 -7.166 -4.932 7.400 1.00 1.19 O ATOM 697 CB ALA A 43 -7.799 -7.461 9.404 1.00 2.14 C ATOM 0 H ALA A 43 -8.391 -6.207 11.351 1.00 1.93 H new ATOM 0 HA ALA A 43 -6.391 -5.817 9.577 1.00 1.80 H new ATOM 0 HB1 ALA A 43 -7.352 -7.867 8.497 1.00 2.14 H new ATOM 0 HB2 ALA A 43 -7.403 -7.989 10.272 1.00 2.14 H new ATOM 0 HB3 ALA A 43 -8.881 -7.589 9.364 1.00 2.14 H new ATOM 703 N GLU A 44 -9.272 -5.026 8.188 1.00 1.23 N ATOM 704 CA GLU A 44 -9.839 -4.298 7.077 1.00 0.93 C ATOM 705 C GLU A 44 -9.239 -2.901 7.038 1.00 0.72 C ATOM 706 O GLU A 44 -8.644 -2.518 6.044 1.00 0.65 O ATOM 707 CB GLU A 44 -11.360 -4.240 7.207 1.00 1.02 C ATOM 708 CG GLU A 44 -11.999 -5.627 7.064 1.00 1.99 C ATOM 709 CD GLU A 44 -12.704 -5.718 5.734 1.00 2.07 C ATOM 710 OE1 GLU A 44 -12.027 -6.017 4.733 1.00 3.32 O ATOM 711 OE2 GLU A 44 -13.909 -5.400 5.681 1.00 2.50 O ATOM 0 H GLU A 44 -9.953 -5.330 8.884 1.00 1.23 H new ATOM 0 HA GLU A 44 -9.604 -4.808 6.143 1.00 0.93 H new ATOM 0 HB2 GLU A 44 -11.626 -3.816 8.175 1.00 1.02 H new ATOM 0 HB3 GLU A 44 -11.764 -3.574 6.445 1.00 1.02 H new ATOM 0 HG2 GLU A 44 -11.235 -6.401 7.137 1.00 1.99 H new ATOM 0 HG3 GLU A 44 -12.706 -5.799 7.876 1.00 1.99 H new ATOM 718 N ALA A 45 -9.377 -2.131 8.112 1.00 0.87 N ATOM 719 CA ALA A 45 -8.905 -0.763 8.161 1.00 0.99 C ATOM 720 C ALA A 45 -7.403 -0.673 7.910 1.00 0.95 C ATOM 721 O ALA A 45 -6.916 0.297 7.328 1.00 1.10 O ATOM 722 CB ALA A 45 -9.260 -0.140 9.512 1.00 1.34 C ATOM 0 H ALA A 45 -9.822 -2.445 8.974 1.00 0.87 H new ATOM 0 HA ALA A 45 -9.401 -0.207 7.365 1.00 0.99 H new ATOM 0 HB1 ALA A 45 -8.902 0.889 9.543 1.00 1.34 H new ATOM 0 HB2 ALA A 45 -10.342 -0.153 9.645 1.00 1.34 H new ATOM 0 HB3 ALA A 45 -8.789 -0.712 10.311 1.00 1.34 H new ATOM 728 N LYS A 46 -6.657 -1.675 8.359 1.00 0.94 N ATOM 729 CA LYS A 46 -5.237 -1.751 8.105 1.00 0.89 C ATOM 730 C LYS A 46 -5.033 -1.985 6.611 1.00 0.62 C ATOM 731 O LYS A 46 -4.281 -1.262 5.958 1.00 0.60 O ATOM 732 CB LYS A 46 -4.582 -2.819 9.004 1.00 1.07 C ATOM 733 CG LYS A 46 -3.152 -2.344 9.288 1.00 1.00 C ATOM 734 CD LYS A 46 -2.327 -3.267 10.193 1.00 1.98 C ATOM 735 CE LYS A 46 -1.343 -2.465 11.070 1.00 2.57 C ATOM 736 NZ LYS A 46 -0.483 -1.520 10.318 1.00 3.32 N ATOM 0 H LYS A 46 -7.025 -2.452 8.907 1.00 0.94 H new ATOM 0 HA LYS A 46 -4.737 -0.818 8.364 1.00 0.89 H new ATOM 0 HB2 LYS A 46 -5.141 -2.938 9.932 1.00 1.07 H new ATOM 0 HB3 LYS A 46 -4.575 -3.790 8.509 1.00 1.07 H new ATOM 0 HG2 LYS A 46 -2.629 -2.229 8.339 1.00 1.00 H new ATOM 0 HG3 LYS A 46 -3.198 -1.357 9.748 1.00 1.00 H new ATOM 0 HD2 LYS A 46 -2.995 -3.846 10.830 1.00 1.98 H new ATOM 0 HD3 LYS A 46 -1.774 -3.979 9.581 1.00 1.98 H new ATOM 0 HE2 LYS A 46 -1.911 -1.907 11.815 1.00 2.57 H new ATOM 0 HE3 LYS A 46 -0.706 -3.164 11.613 1.00 2.57 H new ATOM 0 HZ1 LYS A 46 0.226 -1.110 10.959 1.00 3.32 H new ATOM 0 HZ2 LYS A 46 -0.002 -2.026 9.548 1.00 3.32 H new ATOM 0 HZ3 LYS A 46 -1.069 -0.759 9.919 1.00 3.32 H new ATOM 750 N PHE A 47 -5.746 -2.967 6.058 1.00 0.61 N ATOM 751 CA PHE A 47 -5.714 -3.233 4.637 1.00 0.58 C ATOM 752 C PHE A 47 -6.125 -1.989 3.859 1.00 0.58 C ATOM 753 O PHE A 47 -5.577 -1.769 2.790 1.00 0.66 O ATOM 754 CB PHE A 47 -6.590 -4.436 4.249 1.00 0.75 C ATOM 755 CG PHE A 47 -6.534 -4.822 2.774 1.00 0.94 C ATOM 756 CD1 PHE A 47 -5.296 -5.056 2.143 1.00 2.26 C ATOM 757 CD2 PHE A 47 -7.712 -4.835 2.001 1.00 1.91 C ATOM 758 CE1 PHE A 47 -5.239 -5.324 0.764 1.00 2.52 C ATOM 759 CE2 PHE A 47 -7.650 -5.062 0.614 1.00 2.21 C ATOM 760 CZ PHE A 47 -6.413 -5.298 -0.007 1.00 1.85 C ATOM 0 H PHE A 47 -6.355 -3.591 6.587 1.00 0.61 H new ATOM 0 HA PHE A 47 -4.688 -3.493 4.375 1.00 0.58 H new ATOM 0 HB2 PHE A 47 -6.286 -5.296 4.846 1.00 0.75 H new ATOM 0 HB3 PHE A 47 -7.624 -4.214 4.512 1.00 0.75 H new ATOM 0 HD1 PHE A 47 -4.385 -5.029 2.722 1.00 2.26 H new ATOM 0 HD2 PHE A 47 -8.668 -4.670 2.476 1.00 1.91 H new ATOM 0 HE1 PHE A 47 -4.292 -5.550 0.297 1.00 2.52 H new ATOM 0 HE2 PHE A 47 -8.556 -5.055 0.026 1.00 2.21 H new ATOM 0 HZ PHE A 47 -6.364 -5.459 -1.074 1.00 1.85 H new ATOM 770 N LYS A 48 -7.046 -1.162 4.366 1.00 0.64 N ATOM 771 CA LYS A 48 -7.488 0.007 3.632 1.00 0.77 C ATOM 772 C LYS A 48 -6.295 0.905 3.366 1.00 0.74 C ATOM 773 O LYS A 48 -6.073 1.289 2.231 1.00 0.82 O ATOM 774 CB LYS A 48 -8.587 0.789 4.346 1.00 1.00 C ATOM 775 CG LYS A 48 -9.904 0.026 4.254 1.00 1.01 C ATOM 776 CD LYS A 48 -10.987 0.852 4.947 1.00 1.21 C ATOM 777 CE LYS A 48 -12.330 0.119 5.050 1.00 1.68 C ATOM 778 NZ LYS A 48 -13.406 1.050 5.439 1.00 2.50 N ATOM 0 H LYS A 48 -7.491 -1.287 5.275 1.00 0.64 H new ATOM 0 HA LYS A 48 -7.923 -0.342 2.696 1.00 0.77 H new ATOM 0 HB2 LYS A 48 -8.317 0.943 5.391 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -8.695 1.776 3.896 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -10.169 -0.149 3.211 1.00 1.01 H new ATOM 0 HG3 LYS A 48 -9.810 -0.951 4.728 1.00 1.01 H new ATOM 0 HD2 LYS A 48 -10.648 1.118 5.948 1.00 1.21 H new ATOM 0 HD3 LYS A 48 -11.130 1.784 4.401 1.00 1.21 H new ATOM 0 HE2 LYS A 48 -12.571 -0.343 4.093 1.00 1.68 H new ATOM 0 HE3 LYS A 48 -12.256 -0.685 5.783 1.00 1.68 H new ATOM 0 HZ1 LYS A 48 -14.306 0.533 5.503 1.00 2.50 H new ATOM 0 HZ2 LYS A 48 -13.183 1.472 6.363 1.00 2.50 H new ATOM 0 HZ3 LYS A 48 -13.489 1.802 4.726 1.00 2.50 H new ATOM 792 N GLU A 49 -5.506 1.212 4.393 1.00 0.70 N ATOM 793 CA GLU A 49 -4.346 2.071 4.227 1.00 0.73 C ATOM 794 C GLU A 49 -3.371 1.493 3.201 1.00 0.63 C ATOM 795 O GLU A 49 -2.795 2.216 2.392 1.00 0.82 O ATOM 796 CB GLU A 49 -3.672 2.271 5.585 1.00 0.82 C ATOM 797 CG GLU A 49 -4.602 3.059 6.509 1.00 1.51 C ATOM 798 CD GLU A 49 -3.889 3.496 7.762 1.00 1.63 C ATOM 799 OE1 GLU A 49 -3.337 2.620 8.454 1.00 1.84 O ATOM 800 OE2 GLU A 49 -3.884 4.712 8.038 1.00 2.63 O ATOM 0 H GLU A 49 -5.652 0.877 5.345 1.00 0.70 H new ATOM 0 HA GLU A 49 -4.669 3.039 3.845 1.00 0.73 H new ATOM 0 HB2 GLU A 49 -3.434 1.305 6.030 1.00 0.82 H new ATOM 0 HB3 GLU A 49 -2.730 2.805 5.460 1.00 0.82 H new ATOM 0 HG2 GLU A 49 -4.985 3.933 5.983 1.00 1.51 H new ATOM 0 HG3 GLU A 49 -5.462 2.444 6.773 1.00 1.51 H new ATOM 807 N ILE A 50 -3.168 0.185 3.250 1.00 0.43 N ATOM 808 CA ILE A 50 -2.207 -0.506 2.406 1.00 0.44 C ATOM 809 C ILE A 50 -2.746 -0.565 0.966 1.00 0.53 C ATOM 810 O ILE A 50 -1.993 -0.446 -0.001 1.00 0.57 O ATOM 811 CB ILE A 50 -1.917 -1.871 3.059 1.00 0.44 C ATOM 812 CG1 ILE A 50 -1.338 -1.631 4.473 1.00 0.52 C ATOM 813 CG2 ILE A 50 -0.935 -2.742 2.258 1.00 0.51 C ATOM 814 CD1 ILE A 50 -1.540 -2.850 5.363 1.00 0.65 C ATOM 0 H ILE A 50 -3.673 -0.433 3.885 1.00 0.43 H new ATOM 0 HA ILE A 50 -1.253 0.015 2.327 1.00 0.44 H new ATOM 0 HB ILE A 50 -2.861 -2.414 3.094 1.00 0.44 H new ATOM 0 HG12 ILE A 50 -0.275 -1.403 4.400 1.00 0.52 H new ATOM 0 HG13 ILE A 50 -1.820 -0.764 4.924 1.00 0.52 H new ATOM 0 HG21 ILE A 50 -0.779 -3.687 2.778 1.00 0.51 H new ATOM 0 HG22 ILE A 50 -1.346 -2.937 1.267 1.00 0.51 H new ATOM 0 HG23 ILE A 50 0.017 -2.220 2.160 1.00 0.51 H new ATOM 0 HD11 ILE A 50 -1.123 -2.653 6.351 1.00 0.65 H new ATOM 0 HD12 ILE A 50 -2.605 -3.061 5.454 1.00 0.65 H new ATOM 0 HD13 ILE A 50 -1.036 -3.710 4.922 1.00 0.65 H new ATOM 826 N LYS A 51 -4.057 -0.718 0.801 1.00 0.64 N ATOM 827 CA LYS A 51 -4.725 -0.772 -0.480 1.00 0.78 C ATOM 828 C LYS A 51 -4.851 0.621 -1.088 1.00 0.90 C ATOM 829 O LYS A 51 -4.789 0.743 -2.309 1.00 1.10 O ATOM 830 CB LYS A 51 -6.092 -1.437 -0.283 1.00 0.86 C ATOM 831 CG LYS A 51 -6.994 -1.454 -1.527 1.00 1.23 C ATOM 832 CD LYS A 51 -6.355 -2.093 -2.776 1.00 2.21 C ATOM 833 CE LYS A 51 -6.897 -1.506 -4.087 1.00 2.75 C ATOM 834 NZ LYS A 51 -6.660 -0.050 -4.206 1.00 3.26 N ATOM 0 H LYS A 51 -4.699 -0.810 1.588 1.00 0.64 H new ATOM 0 HA LYS A 51 -4.139 -1.363 -1.184 1.00 0.78 H new ATOM 0 HB2 LYS A 51 -5.935 -2.464 0.047 1.00 0.86 H new ATOM 0 HB3 LYS A 51 -6.617 -0.921 0.521 1.00 0.86 H new ATOM 0 HG2 LYS A 51 -7.910 -1.994 -1.288 1.00 1.23 H new ATOM 0 HG3 LYS A 51 -7.281 -0.430 -1.766 1.00 1.23 H new ATOM 0 HD2 LYS A 51 -5.275 -1.951 -2.739 1.00 2.21 H new ATOM 0 HD3 LYS A 51 -6.536 -3.168 -2.762 1.00 2.21 H new ATOM 0 HE2 LYS A 51 -6.428 -2.016 -4.929 1.00 2.75 H new ATOM 0 HE3 LYS A 51 -7.967 -1.702 -4.152 1.00 2.75 H new ATOM 0 HZ1 LYS A 51 -6.308 0.168 -5.160 1.00 3.26 H new ATOM 0 HZ2 LYS A 51 -7.550 0.461 -4.041 1.00 3.26 H new ATOM 0 HZ3 LYS A 51 -5.955 0.246 -3.501 1.00 3.26 H new ATOM 848 N GLU A 52 -5.058 1.638 -0.254 1.00 0.89 N ATOM 849 CA GLU A 52 -5.065 3.056 -0.578 1.00 1.13 C ATOM 850 C GLU A 52 -3.680 3.395 -1.106 1.00 1.03 C ATOM 851 O GLU A 52 -3.530 3.908 -2.208 1.00 1.16 O ATOM 852 CB GLU A 52 -5.385 3.839 0.702 1.00 1.31 C ATOM 853 CG GLU A 52 -5.498 5.347 0.484 1.00 1.82 C ATOM 854 CD GLU A 52 -6.830 5.743 -0.095 1.00 1.47 C ATOM 855 OE1 GLU A 52 -7.874 5.365 0.473 1.00 2.72 O ATOM 856 OE2 GLU A 52 -6.853 6.496 -1.080 1.00 2.35 O ATOM 0 H GLU A 52 -5.238 1.477 0.737 1.00 0.89 H new ATOM 0 HA GLU A 52 -5.813 3.311 -1.329 1.00 1.13 H new ATOM 0 HB2 GLU A 52 -6.322 3.469 1.120 1.00 1.31 H new ATOM 0 HB3 GLU A 52 -4.608 3.644 1.441 1.00 1.31 H new ATOM 0 HG2 GLU A 52 -5.350 5.861 1.434 1.00 1.82 H new ATOM 0 HG3 GLU A 52 -4.702 5.676 -0.184 1.00 1.82 H new ATOM 863 N ALA A 53 -2.651 3.043 -0.336 1.00 0.86 N ATOM 864 CA ALA A 53 -1.282 3.177 -0.783 1.00 0.81 C ATOM 865 C ALA A 53 -1.131 2.552 -2.162 1.00 0.89 C ATOM 866 O ALA A 53 -0.669 3.206 -3.090 1.00 1.04 O ATOM 867 CB ALA A 53 -0.329 2.540 0.224 1.00 0.76 C ATOM 0 H ALA A 53 -2.750 2.661 0.605 1.00 0.86 H new ATOM 0 HA ALA A 53 -1.026 4.234 -0.855 1.00 0.81 H new ATOM 0 HB1 ALA A 53 0.697 2.649 -0.127 1.00 0.76 H new ATOM 0 HB2 ALA A 53 -0.437 3.034 1.190 1.00 0.76 H new ATOM 0 HB3 ALA A 53 -0.566 1.481 0.330 1.00 0.76 H new ATOM 873 N TYR A 54 -1.575 1.306 -2.322 1.00 0.93 N ATOM 874 CA TYR A 54 -1.544 0.679 -3.631 1.00 1.25 C ATOM 875 C TYR A 54 -2.265 1.555 -4.669 1.00 1.51 C ATOM 876 O TYR A 54 -1.722 1.778 -5.744 1.00 1.80 O ATOM 877 CB TYR A 54 -2.114 -0.745 -3.563 1.00 1.41 C ATOM 878 CG TYR A 54 -1.584 -1.634 -4.666 1.00 1.21 C ATOM 879 CD1 TYR A 54 -1.969 -1.391 -5.996 1.00 2.61 C ATOM 880 CD2 TYR A 54 -0.530 -2.527 -4.396 1.00 1.67 C ATOM 881 CE1 TYR A 54 -1.251 -1.973 -7.051 1.00 2.70 C ATOM 882 CE2 TYR A 54 0.148 -3.155 -5.453 1.00 2.15 C ATOM 883 CZ TYR A 54 -0.174 -2.832 -6.779 1.00 1.97 C ATOM 884 OH TYR A 54 0.598 -3.316 -7.787 1.00 2.72 O ATOM 0 H TYR A 54 -1.953 0.725 -1.574 1.00 0.93 H new ATOM 0 HA TYR A 54 -0.508 0.590 -3.957 1.00 1.25 H new ATOM 0 HB2 TYR A 54 -1.869 -1.185 -2.596 1.00 1.41 H new ATOM 0 HB3 TYR A 54 -3.201 -0.701 -3.627 1.00 1.41 H new ATOM 0 HD1 TYR A 54 -2.817 -0.756 -6.205 1.00 2.61 H new ATOM 0 HD2 TYR A 54 -0.243 -2.729 -3.375 1.00 1.67 H new ATOM 0 HE1 TYR A 54 -1.527 -1.760 -8.073 1.00 2.70 H new ATOM 0 HE2 TYR A 54 0.916 -3.885 -5.245 1.00 2.15 H new ATOM 0 HH TYR A 54 1.509 -3.467 -7.458 1.00 2.72 H new ATOM 894 N GLU A 55 -3.466 2.040 -4.336 1.00 1.53 N ATOM 895 CA GLU A 55 -4.332 2.863 -5.168 1.00 1.93 C ATOM 896 C GLU A 55 -3.678 4.184 -5.580 1.00 2.01 C ATOM 897 O GLU A 55 -4.116 4.779 -6.564 1.00 2.76 O ATOM 898 CB GLU A 55 -5.702 3.034 -4.471 1.00 2.03 C ATOM 899 CG GLU A 55 -6.155 4.467 -4.198 1.00 2.68 C ATOM 900 CD GLU A 55 -7.551 4.519 -3.628 1.00 3.23 C ATOM 901 OE1 GLU A 55 -7.958 3.529 -2.988 1.00 3.10 O ATOM 902 OE2 GLU A 55 -8.260 5.515 -3.878 1.00 4.34 O ATOM 0 H GLU A 55 -3.879 1.854 -3.422 1.00 1.53 H new ATOM 0 HA GLU A 55 -4.503 2.350 -6.114 1.00 1.93 H new ATOM 0 HB2 GLU A 55 -6.460 2.548 -5.085 1.00 2.03 H new ATOM 0 HB3 GLU A 55 -5.670 2.500 -3.521 1.00 2.03 H new ATOM 0 HG2 GLU A 55 -5.462 4.940 -3.503 1.00 2.68 H new ATOM 0 HG3 GLU A 55 -6.120 5.041 -5.124 1.00 2.68 H new ATOM 909 N VAL A 56 -2.698 4.664 -4.816 1.00 1.43 N ATOM 910 CA VAL A 56 -1.940 5.861 -5.136 1.00 1.40 C ATOM 911 C VAL A 56 -0.670 5.514 -5.906 1.00 1.34 C ATOM 912 O VAL A 56 -0.246 6.309 -6.733 1.00 1.65 O ATOM 913 CB VAL A 56 -1.617 6.639 -3.853 1.00 1.35 C ATOM 914 CG1 VAL A 56 -0.647 7.796 -4.125 1.00 1.42 C ATOM 915 CG2 VAL A 56 -2.923 7.233 -3.328 1.00 1.47 C ATOM 0 H VAL A 56 -2.408 4.221 -3.944 1.00 1.43 H new ATOM 0 HA VAL A 56 -2.548 6.497 -5.779 1.00 1.40 H new ATOM 0 HB VAL A 56 -1.154 5.959 -3.137 1.00 1.35 H new ATOM 0 HG11 VAL A 56 -0.441 8.324 -3.194 1.00 1.42 H new ATOM 0 HG12 VAL A 56 0.284 7.402 -4.532 1.00 1.42 H new ATOM 0 HG13 VAL A 56 -1.094 8.485 -4.842 1.00 1.42 H new ATOM 0 HG21 VAL A 56 -2.726 7.794 -2.414 1.00 1.47 H new ATOM 0 HG22 VAL A 56 -3.347 7.900 -4.079 1.00 1.47 H new ATOM 0 HG23 VAL A 56 -3.629 6.430 -3.116 1.00 1.47 H new ATOM 925 N LEU A 57 0.000 4.413 -5.558 1.00 1.14 N ATOM 926 CA LEU A 57 1.403 4.220 -5.892 1.00 1.29 C ATOM 927 C LEU A 57 1.652 3.775 -7.320 1.00 1.54 C ATOM 928 O LEU A 57 1.869 4.595 -8.210 1.00 2.62 O ATOM 929 CB LEU A 57 2.083 3.298 -4.865 1.00 1.20 C ATOM 930 CG LEU A 57 2.380 4.028 -3.548 1.00 1.13 C ATOM 931 CD1 LEU A 57 3.217 3.133 -2.630 1.00 1.15 C ATOM 932 CD2 LEU A 57 3.132 5.314 -3.867 1.00 1.17 C ATOM 0 H LEU A 57 -0.416 3.638 -5.041 1.00 1.14 H new ATOM 0 HA LEU A 57 1.867 5.205 -5.834 1.00 1.29 H new ATOM 0 HB2 LEU A 57 1.441 2.439 -4.667 1.00 1.20 H new ATOM 0 HB3 LEU A 57 3.012 2.912 -5.283 1.00 1.20 H new ATOM 0 HG LEU A 57 1.449 4.266 -3.033 1.00 1.13 H new ATOM 0 HD11 LEU A 57 3.423 3.659 -1.698 1.00 1.15 H new ATOM 0 HD12 LEU A 57 2.667 2.217 -2.416 1.00 1.15 H new ATOM 0 HD13 LEU A 57 4.157 2.885 -3.122 1.00 1.15 H new ATOM 0 HD21 LEU A 57 3.352 5.846 -2.941 1.00 1.17 H new ATOM 0 HD22 LEU A 57 4.065 5.073 -4.377 1.00 1.17 H new ATOM 0 HD23 LEU A 57 2.519 5.944 -4.511 1.00 1.17 H new ATOM 944 N THR A 58 1.661 2.467 -7.548 1.00 1.42 N ATOM 945 CA THR A 58 1.836 1.922 -8.883 1.00 1.67 C ATOM 946 C THR A 58 0.465 1.859 -9.564 1.00 1.81 C ATOM 947 O THR A 58 0.246 1.051 -10.471 1.00 2.11 O ATOM 948 CB THR A 58 2.589 0.581 -8.795 1.00 2.87 C ATOM 949 OG1 THR A 58 2.691 -0.029 -10.066 1.00 4.34 O ATOM 950 CG2 THR A 58 1.934 -0.401 -7.818 1.00 1.90 C ATOM 0 H THR A 58 1.548 1.763 -6.819 1.00 1.42 H new ATOM 0 HA THR A 58 2.459 2.557 -9.512 1.00 1.67 H new ATOM 0 HB THR A 58 3.584 0.819 -8.419 1.00 2.87 H new ATOM 0 HG1 THR A 58 1.881 0.158 -10.585 1.00 4.34 H new ATOM 0 HG21 THR A 58 2.506 -1.328 -7.796 1.00 1.90 H new ATOM 0 HG22 THR A 58 1.915 0.037 -6.820 1.00 1.90 H new ATOM 0 HG23 THR A 58 0.915 -0.611 -8.142 1.00 1.90 H new ATOM 958 N ASP A 59 -0.473 2.687 -9.112 1.00 2.52 N ATOM 959 CA ASP A 59 -1.818 2.747 -9.661 1.00 3.82 C ATOM 960 C ASP A 59 -2.258 4.170 -9.378 1.00 4.20 C ATOM 961 O ASP A 59 -2.050 4.611 -8.256 1.00 5.03 O ATOM 962 CB ASP A 59 -2.696 1.709 -8.942 1.00 5.49 C ATOM 963 CG ASP A 59 -4.093 1.570 -9.499 1.00 6.86 C ATOM 964 OD1 ASP A 59 -4.529 2.413 -10.306 1.00 6.83 O ATOM 965 OD2 ASP A 59 -4.755 0.583 -9.107 1.00 8.29 O ATOM 0 H ASP A 59 -0.315 3.341 -8.345 1.00 2.52 H new ATOM 0 HA ASP A 59 -1.884 2.518 -10.725 1.00 3.82 H new ATOM 0 HB2 ASP A 59 -2.202 0.739 -8.991 1.00 5.49 H new ATOM 0 HB3 ASP A 59 -2.765 1.979 -7.888 1.00 5.49 H new ATOM 970 N SER A 60 -2.740 4.909 -10.374 1.00 4.30 N ATOM 971 CA SER A 60 -2.921 6.337 -10.340 1.00 4.95 C ATOM 972 C SER A 60 -1.570 7.043 -10.392 1.00 3.80 C ATOM 973 O SER A 60 -0.719 6.945 -9.513 1.00 4.49 O ATOM 974 CB SER A 60 -3.910 6.841 -9.284 1.00 6.73 C ATOM 975 OG SER A 60 -3.373 6.953 -7.991 1.00 7.75 O ATOM 0 H SER A 60 -3.025 4.498 -11.263 1.00 4.30 H new ATOM 0 HA SER A 60 -3.448 6.625 -11.250 1.00 4.95 H new ATOM 0 HB2 SER A 60 -4.287 7.816 -9.593 1.00 6.73 H new ATOM 0 HB3 SER A 60 -4.764 6.165 -9.252 1.00 6.73 H new ATOM 0 HG SER A 60 -2.926 6.115 -7.749 1.00 7.75 H new ATOM 981 N GLN A 61 -1.367 7.790 -11.466 1.00 2.81 N ATOM 982 CA GLN A 61 -0.201 8.617 -11.658 1.00 2.83 C ATOM 983 C GLN A 61 -0.101 9.709 -10.578 1.00 2.27 C ATOM 984 O GLN A 61 0.917 10.391 -10.487 1.00 2.58 O ATOM 985 CB GLN A 61 -0.227 9.148 -13.096 1.00 3.86 C ATOM 986 CG GLN A 61 0.974 10.056 -13.320 1.00 5.09 C ATOM 987 CD GLN A 61 1.492 10.030 -14.744 1.00 7.03 C ATOM 988 OE1 GLN A 61 1.244 10.937 -15.531 1.00 7.49 O ATOM 989 NE2 GLN A 61 2.238 8.997 -15.093 1.00 8.53 N ATOM 0 H GLN A 61 -2.027 7.834 -12.242 1.00 2.81 H new ATOM 0 HA GLN A 61 0.713 8.037 -11.534 1.00 2.83 H new ATOM 0 HB2 GLN A 61 -0.207 8.318 -13.802 1.00 3.86 H new ATOM 0 HB3 GLN A 61 -1.151 9.697 -13.276 1.00 3.86 H new ATOM 0 HG2 GLN A 61 0.700 11.078 -13.060 1.00 5.09 H new ATOM 0 HG3 GLN A 61 1.776 9.759 -12.644 1.00 5.09 H new ATOM 0 HE21 GLN A 61 2.430 8.255 -14.419 1.00 8.53 H new ATOM 0 HE22 GLN A 61 2.622 8.941 -16.036 1.00 8.53 H new ATOM 998 N LYS A 62 -1.115 9.851 -9.720 1.00 2.04 N ATOM 999 CA LYS A 62 -1.036 10.637 -8.493 1.00 2.02 C ATOM 1000 C LYS A 62 0.313 10.509 -7.770 1.00 1.65 C ATOM 1001 O LYS A 62 0.775 11.475 -7.167 1.00 2.39 O ATOM 1002 CB LYS A 62 -2.169 10.266 -7.534 1.00 2.49 C ATOM 1003 CG LYS A 62 -3.509 10.814 -8.033 1.00 3.21 C ATOM 1004 CD LYS A 62 -4.543 10.737 -6.905 1.00 3.76 C ATOM 1005 CE LYS A 62 -5.792 11.527 -7.315 1.00 4.52 C ATOM 1006 NZ LYS A 62 -6.745 11.724 -6.207 1.00 5.33 N ATOM 0 H LYS A 62 -2.026 9.415 -9.864 1.00 2.04 H new ATOM 0 HA LYS A 62 -1.137 11.677 -8.802 1.00 2.02 H new ATOM 0 HB2 LYS A 62 -2.228 9.182 -7.437 1.00 2.49 H new ATOM 0 HB3 LYS A 62 -1.956 10.664 -6.542 1.00 2.49 H new ATOM 0 HG2 LYS A 62 -3.392 11.846 -8.364 1.00 3.21 H new ATOM 0 HG3 LYS A 62 -3.851 10.240 -8.894 1.00 3.21 H new ATOM 0 HD2 LYS A 62 -4.804 9.698 -6.705 1.00 3.76 H new ATOM 0 HD3 LYS A 62 -4.126 11.144 -5.984 1.00 3.76 H new ATOM 0 HE2 LYS A 62 -5.488 12.500 -7.701 1.00 4.52 H new ATOM 0 HE3 LYS A 62 -6.294 11.004 -8.129 1.00 4.52 H new ATOM 0 HZ1 LYS A 62 -7.566 12.264 -6.547 1.00 5.33 H new ATOM 0 HZ2 LYS A 62 -7.061 10.799 -5.853 1.00 5.33 H new ATOM 0 HZ3 LYS A 62 -6.280 12.249 -5.439 1.00 5.33 H new ATOM 1020 N ARG A 63 0.939 9.333 -7.781 1.00 1.10 N ATOM 1021 CA ARG A 63 2.280 9.164 -7.235 1.00 1.13 C ATOM 1022 C ARG A 63 3.284 10.089 -7.938 1.00 1.23 C ATOM 1023 O ARG A 63 3.941 10.902 -7.290 1.00 2.03 O ATOM 1024 CB ARG A 63 2.657 7.688 -7.361 1.00 1.53 C ATOM 1025 CG ARG A 63 3.924 7.210 -6.649 1.00 2.07 C ATOM 1026 CD ARG A 63 5.215 7.838 -7.166 1.00 2.38 C ATOM 1027 NE ARG A 63 6.362 6.965 -6.883 1.00 3.06 N ATOM 1028 CZ ARG A 63 7.640 7.357 -6.915 1.00 4.01 C ATOM 1029 NH1 ARG A 63 7.932 8.652 -7.029 1.00 4.77 N ATOM 1030 NH2 ARG A 63 8.605 6.445 -6.851 1.00 4.77 N ATOM 0 H ARG A 63 0.534 8.480 -8.165 1.00 1.10 H new ATOM 0 HA ARG A 63 2.302 9.448 -6.183 1.00 1.13 H new ATOM 0 HB2 ARG A 63 1.821 7.096 -6.989 1.00 1.53 H new ATOM 0 HB3 ARG A 63 2.763 7.459 -8.421 1.00 1.53 H new ATOM 0 HG2 ARG A 63 3.831 7.426 -5.585 1.00 2.07 H new ATOM 0 HG3 ARG A 63 3.996 6.127 -6.750 1.00 2.07 H new ATOM 0 HD2 ARG A 63 5.138 8.010 -8.240 1.00 2.38 H new ATOM 0 HD3 ARG A 63 5.366 8.810 -6.697 1.00 2.38 H new ATOM 0 HE ARG A 63 6.170 5.992 -6.645 1.00 3.06 H new ATOM 0 HH11 ARG A 63 7.182 9.340 -7.091 1.00 4.77 H new ATOM 0 HH12 ARG A 63 8.906 8.955 -7.054 1.00 4.77 H new ATOM 0 HH21 ARG A 63 8.368 5.456 -6.778 1.00 4.77 H new ATOM 0 HH22 ARG A 63 9.583 6.735 -6.875 1.00 4.77 H new ATOM 1044 N ALA A 64 3.451 9.952 -9.255 1.00 1.50 N ATOM 1045 CA ALA A 64 4.428 10.745 -9.991 1.00 1.86 C ATOM 1046 C ALA A 64 4.053 12.224 -9.931 1.00 1.69 C ATOM 1047 O ALA A 64 4.908 13.082 -9.739 1.00 1.73 O ATOM 1048 CB ALA A 64 4.551 10.265 -11.436 1.00 2.62 C ATOM 0 H ALA A 64 2.920 9.298 -9.831 1.00 1.50 H new ATOM 0 HA ALA A 64 5.403 10.616 -9.522 1.00 1.86 H new ATOM 0 HB1 ALA A 64 5.287 10.875 -11.961 1.00 2.62 H new ATOM 0 HB2 ALA A 64 4.869 9.223 -11.447 1.00 2.62 H new ATOM 0 HB3 ALA A 64 3.585 10.355 -11.933 1.00 2.62 H new ATOM 1054 N ALA A 65 2.758 12.517 -10.043 1.00 1.77 N ATOM 1055 CA ALA A 65 2.231 13.856 -9.889 1.00 2.03 C ATOM 1056 C ALA A 65 2.687 14.432 -8.551 1.00 1.89 C ATOM 1057 O ALA A 65 3.176 15.558 -8.490 1.00 2.15 O ATOM 1058 CB ALA A 65 0.704 13.804 -9.952 1.00 2.42 C ATOM 0 H ALA A 65 2.044 11.817 -10.246 1.00 1.77 H new ATOM 0 HA ALA A 65 2.600 14.496 -10.691 1.00 2.03 H new ATOM 0 HB1 ALA A 65 0.301 14.810 -9.837 1.00 2.42 H new ATOM 0 HB2 ALA A 65 0.393 13.397 -10.914 1.00 2.42 H new ATOM 0 HB3 ALA A 65 0.328 13.168 -9.150 1.00 2.42 H new ATOM 1064 N TYR A 66 2.542 13.661 -7.472 1.00 1.75 N ATOM 1065 CA TYR A 66 3.009 14.096 -6.171 1.00 2.12 C ATOM 1066 C TYR A 66 4.514 14.348 -6.192 1.00 2.25 C ATOM 1067 O TYR A 66 4.980 15.322 -5.605 1.00 2.72 O ATOM 1068 CB TYR A 66 2.622 13.117 -5.060 1.00 2.20 C ATOM 1069 CG TYR A 66 3.086 13.594 -3.699 1.00 2.97 C ATOM 1070 CD1 TYR A 66 2.355 14.595 -3.036 1.00 3.81 C ATOM 1071 CD2 TYR A 66 4.350 13.212 -3.208 1.00 3.53 C ATOM 1072 CE1 TYR A 66 2.909 15.258 -1.928 1.00 4.71 C ATOM 1073 CE2 TYR A 66 4.867 13.821 -2.051 1.00 4.41 C ATOM 1074 CZ TYR A 66 4.147 14.844 -1.411 1.00 4.84 C ATOM 1075 OH TYR A 66 4.531 15.258 -0.173 1.00 5.70 O ATOM 0 H TYR A 66 2.106 12.739 -7.481 1.00 1.75 H new ATOM 0 HA TYR A 66 2.509 15.038 -5.945 1.00 2.12 H new ATOM 0 HB2 TYR A 66 1.540 12.989 -5.050 1.00 2.20 H new ATOM 0 HB3 TYR A 66 3.057 12.140 -5.270 1.00 2.20 H new ATOM 0 HD1 TYR A 66 1.365 14.855 -3.379 1.00 3.81 H new ATOM 0 HD2 TYR A 66 4.921 12.452 -3.720 1.00 3.53 H new ATOM 0 HE1 TYR A 66 2.383 16.085 -1.475 1.00 4.71 H new ATOM 0 HE2 TYR A 66 5.819 13.502 -1.653 1.00 4.41 H new ATOM 0 HH TYR A 66 5.412 14.884 0.039 1.00 5.70 H new