USER MOD reduce.3.24.130724 H: found=0, std=0, add=514, rem=0, adj=19 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 Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 1.01 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -137:sc= -0.0327 (180deg=-0.281) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0256) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= -0.0264 (180deg=-0.0897) USER MOD Single : A 30 MET CE :methyl -173:sc= -0.252 (180deg=-0.577) USER MOD Single : A 31 LYS NZ :NH3+ 146:sc= 0.624 (180deg=0.00475) USER MOD Single : A 32 TYR OH : rot 82:sc= 2.01 USER MOD Single : A 33 HIS : no HE2:sc= 1.24 K(o=1.2,f=-3.9!) USER MOD Single : A 37 ASN : amide:sc= -0.425 X(o=-0.42,f=-0.26) USER MOD Single : A 38 GLN : amide:sc= 0.677 K(o=0.68,f=-0.21) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -168:sc= 1.33 (180deg=1.17) USER MOD Single : A 48 LYS NZ :NH3+ 143:sc= 1.25 (180deg=-0.521) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 0:sc= 0.686 USER MOD Single : A 58 THR OG1 : rot -77:sc= 0.409 USER MOD Single : A 60 SER OG : rot 110:sc= 0.0716 USER MOD Single : A 61 GLN : amide:sc= -0.71 K(o=-0.71,f=-1.9!) USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= 0.531 (180deg=0.144) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 5 4.410 9.191 2.362 1.00 2.39 N ATOM 53 CA ASP A 5 3.130 8.511 2.449 1.00 1.62 C ATOM 54 C ASP A 5 3.047 7.442 1.359 1.00 1.62 C ATOM 55 O ASP A 5 3.747 7.520 0.348 1.00 3.19 O ATOM 56 CB ASP A 5 1.983 9.524 2.333 1.00 3.16 C ATOM 57 CG ASP A 5 0.621 8.909 2.558 1.00 4.80 C ATOM 58 OD1 ASP A 5 0.541 7.839 3.195 1.00 5.18 O ATOM 59 OD2 ASP A 5 -0.369 9.562 2.176 1.00 6.31 O ATOM 0 HA ASP A 5 3.039 8.021 3.418 1.00 1.62 H new ATOM 0 HB2 ASP A 5 2.138 10.323 3.058 1.00 3.16 H new ATOM 0 HB3 ASP A 5 2.009 9.981 1.344 1.00 3.16 H new ATOM 64 N TYR A 6 2.236 6.416 1.597 1.00 1.06 N ATOM 65 CA TYR A 6 1.995 5.248 0.762 1.00 0.93 C ATOM 66 C TYR A 6 3.165 4.275 0.887 1.00 0.81 C ATOM 67 O TYR A 6 3.010 3.100 1.220 1.00 1.08 O ATOM 68 CB TYR A 6 1.710 5.639 -0.701 1.00 1.06 C ATOM 69 CG TYR A 6 0.783 6.831 -0.873 1.00 1.46 C ATOM 70 CD1 TYR A 6 -0.541 6.770 -0.401 1.00 2.05 C ATOM 71 CD2 TYR A 6 1.260 8.023 -1.455 1.00 2.89 C ATOM 72 CE1 TYR A 6 -1.399 7.869 -0.567 1.00 2.54 C ATOM 73 CE2 TYR A 6 0.420 9.146 -1.557 1.00 3.40 C ATOM 74 CZ TYR A 6 -0.911 9.065 -1.118 1.00 2.75 C ATOM 75 OH TYR A 6 -1.747 10.136 -1.242 1.00 3.45 O ATOM 0 H TYR A 6 1.684 6.379 2.454 1.00 1.06 H new ATOM 0 HA TYR A 6 1.096 4.744 1.116 1.00 0.93 H new ATOM 0 HB2 TYR A 6 2.657 5.859 -1.195 1.00 1.06 H new ATOM 0 HB3 TYR A 6 1.275 4.781 -1.213 1.00 1.06 H new ATOM 0 HD1 TYR A 6 -0.898 5.877 0.090 1.00 2.05 H new ATOM 0 HD2 TYR A 6 2.274 8.074 -1.824 1.00 2.89 H new ATOM 0 HE1 TYR A 6 -2.435 7.794 -0.271 1.00 2.54 H new ATOM 0 HE2 TYR A 6 0.798 10.069 -1.972 1.00 3.40 H new ATOM 0 HH TYR A 6 -1.259 10.887 -1.640 1.00 3.45 H new ATOM 85 N TYR A 7 4.363 4.787 0.658 1.00 0.83 N ATOM 86 CA TYR A 7 5.579 3.995 0.627 1.00 0.84 C ATOM 87 C TYR A 7 5.998 3.582 2.034 1.00 0.91 C ATOM 88 O TYR A 7 6.557 2.496 2.208 1.00 1.14 O ATOM 89 CB TYR A 7 6.684 4.756 -0.099 1.00 1.08 C ATOM 90 CG TYR A 7 6.417 4.974 -1.575 1.00 2.00 C ATOM 91 CD1 TYR A 7 6.385 3.870 -2.448 1.00 3.11 C ATOM 92 CD2 TYR A 7 6.312 6.278 -2.095 1.00 3.03 C ATOM 93 CE1 TYR A 7 6.354 4.073 -3.837 1.00 4.29 C ATOM 94 CE2 TYR A 7 6.316 6.480 -3.486 1.00 4.03 C ATOM 95 CZ TYR A 7 6.348 5.377 -4.353 1.00 4.45 C ATOM 96 OH TYR A 7 6.487 5.556 -5.693 1.00 5.67 O ATOM 0 H TYR A 7 4.519 5.780 0.486 1.00 0.83 H new ATOM 0 HA TYR A 7 5.388 3.077 0.072 1.00 0.84 H new ATOM 0 HB2 TYR A 7 6.820 5.725 0.382 1.00 1.08 H new ATOM 0 HB3 TYR A 7 7.621 4.210 0.013 1.00 1.08 H new ATOM 0 HD1 TYR A 7 6.384 2.866 -2.049 1.00 3.11 H new ATOM 0 HD2 TYR A 7 6.229 7.122 -1.426 1.00 3.03 H new ATOM 0 HE1 TYR A 7 6.335 3.226 -4.507 1.00 4.29 H new ATOM 0 HE2 TYR A 7 6.294 7.483 -3.887 1.00 4.03 H new ATOM 0 HH TYR A 7 6.462 6.514 -5.899 1.00 5.67 H new ATOM 106 N GLU A 8 5.728 4.409 3.046 1.00 0.98 N ATOM 107 CA GLU A 8 5.877 4.017 4.434 1.00 1.08 C ATOM 108 C GLU A 8 4.822 2.961 4.760 1.00 0.98 C ATOM 109 O GLU A 8 5.112 1.920 5.345 1.00 1.10 O ATOM 110 CB GLU A 8 5.733 5.262 5.325 1.00 1.42 C ATOM 111 CG GLU A 8 6.920 5.449 6.277 1.00 1.85 C ATOM 112 CD GLU A 8 6.951 4.454 7.419 1.00 1.91 C ATOM 113 OE1 GLU A 8 6.162 3.491 7.415 1.00 3.27 O ATOM 114 OE2 GLU A 8 7.757 4.690 8.342 1.00 2.11 O ATOM 0 H GLU A 8 5.401 5.367 2.918 1.00 0.98 H new ATOM 0 HA GLU A 8 6.861 3.586 4.617 1.00 1.08 H new ATOM 0 HB2 GLU A 8 5.636 6.146 4.694 1.00 1.42 H new ATOM 0 HB3 GLU A 8 4.815 5.183 5.907 1.00 1.42 H new ATOM 0 HG2 GLU A 8 7.846 5.364 5.709 1.00 1.85 H new ATOM 0 HG3 GLU A 8 6.889 6.458 6.688 1.00 1.85 H new ATOM 121 N ILE A 9 3.585 3.225 4.343 1.00 0.93 N ATOM 122 CA ILE A 9 2.453 2.374 4.638 1.00 0.90 C ATOM 123 C ILE A 9 2.759 0.946 4.187 1.00 0.96 C ATOM 124 O ILE A 9 2.675 0.021 4.994 1.00 1.10 O ATOM 125 CB ILE A 9 1.164 2.975 4.054 1.00 0.90 C ATOM 126 CG1 ILE A 9 0.899 4.328 4.743 1.00 1.06 C ATOM 127 CG2 ILE A 9 -0.012 2.017 4.264 1.00 0.92 C ATOM 128 CD1 ILE A 9 -0.318 5.061 4.185 1.00 1.09 C ATOM 0 H ILE A 9 3.347 4.046 3.786 1.00 0.93 H new ATOM 0 HA ILE A 9 2.277 2.319 5.712 1.00 0.90 H new ATOM 0 HB ILE A 9 1.277 3.129 2.981 1.00 0.90 H new ATOM 0 HG12 ILE A 9 0.757 4.162 5.811 1.00 1.06 H new ATOM 0 HG13 ILE A 9 1.779 4.962 4.633 1.00 1.06 H new ATOM 0 HG21 ILE A 9 -0.918 2.456 3.846 1.00 0.92 H new ATOM 0 HG22 ILE A 9 0.196 1.070 3.766 1.00 0.92 H new ATOM 0 HG23 ILE A 9 -0.153 1.842 5.331 1.00 0.92 H new ATOM 0 HD11 ILE A 9 -0.448 6.005 4.714 1.00 1.09 H new ATOM 0 HD12 ILE A 9 -0.169 5.257 3.123 1.00 1.09 H new ATOM 0 HD13 ILE A 9 -1.207 4.445 4.319 1.00 1.09 H new ATOM 140 N LEU A 10 3.175 0.759 2.933 1.00 0.97 N ATOM 141 CA LEU A 10 3.657 -0.542 2.492 1.00 1.13 C ATOM 142 C LEU A 10 4.950 -0.892 3.231 1.00 1.22 C ATOM 143 O LEU A 10 5.124 -2.017 3.704 1.00 1.40 O ATOM 144 CB LEU A 10 3.825 -0.588 0.970 1.00 1.31 C ATOM 145 CG LEU A 10 2.500 -0.941 0.276 1.00 1.10 C ATOM 146 CD1 LEU A 10 1.605 0.281 0.158 1.00 1.83 C ATOM 147 CD2 LEU A 10 2.752 -1.464 -1.132 1.00 2.34 C ATOM 0 H LEU A 10 3.187 1.485 2.216 1.00 0.97 H new ATOM 0 HA LEU A 10 2.913 -1.299 2.740 1.00 1.13 H new ATOM 0 HB2 LEU A 10 4.181 0.378 0.611 1.00 1.31 H new ATOM 0 HB3 LEU A 10 4.584 -1.325 0.707 1.00 1.31 H new ATOM 0 HG LEU A 10 2.015 -1.704 0.885 1.00 1.10 H new ATOM 0 HD11 LEU A 10 0.674 0.004 -0.337 1.00 1.83 H new ATOM 0 HD12 LEU A 10 1.386 0.669 1.153 1.00 1.83 H new ATOM 0 HD13 LEU A 10 2.112 1.048 -0.427 1.00 1.83 H new ATOM 0 HD21 LEU A 10 1.801 -1.708 -1.605 1.00 2.34 H new ATOM 0 HD22 LEU A 10 3.263 -0.700 -1.718 1.00 2.34 H new ATOM 0 HD23 LEU A 10 3.372 -2.359 -1.082 1.00 2.34 H new ATOM 159 N GLY A 11 5.870 0.058 3.350 1.00 1.25 N ATOM 160 CA GLY A 11 7.067 -0.120 4.147 1.00 1.38 C ATOM 161 C GLY A 11 8.041 -0.818 3.232 1.00 1.29 C ATOM 162 O GLY A 11 8.454 -1.949 3.479 1.00 1.33 O ATOM 0 H GLY A 11 5.803 0.969 2.896 1.00 1.25 H new ATOM 0 HA2 GLY A 11 7.461 0.838 4.487 1.00 1.38 H new ATOM 0 HA3 GLY A 11 6.864 -0.716 5.037 1.00 1.38 H new ATOM 166 N VAL A 12 8.306 -0.164 2.109 1.00 1.34 N ATOM 167 CA VAL A 12 9.135 -0.667 1.040 1.00 1.27 C ATOM 168 C VAL A 12 10.292 0.306 0.862 1.00 1.30 C ATOM 169 O VAL A 12 10.187 1.475 1.228 1.00 1.54 O ATOM 170 CB VAL A 12 8.270 -0.860 -0.210 1.00 1.34 C ATOM 171 CG1 VAL A 12 7.442 0.363 -0.583 1.00 1.36 C ATOM 172 CG2 VAL A 12 9.100 -1.279 -1.410 1.00 1.49 C ATOM 0 H VAL A 12 7.932 0.765 1.918 1.00 1.34 H new ATOM 0 HA VAL A 12 9.565 -1.645 1.258 1.00 1.27 H new ATOM 0 HB VAL A 12 7.577 -1.657 0.058 1.00 1.34 H new ATOM 0 HG11 VAL A 12 6.857 0.148 -1.477 1.00 1.36 H new ATOM 0 HG12 VAL A 12 6.770 0.612 0.238 1.00 1.36 H new ATOM 0 HG13 VAL A 12 8.105 1.206 -0.777 1.00 1.36 H new ATOM 0 HG21 VAL A 12 8.450 -1.406 -2.276 1.00 1.49 H new ATOM 0 HG22 VAL A 12 9.844 -0.511 -1.624 1.00 1.49 H new ATOM 0 HG23 VAL A 12 9.603 -2.221 -1.193 1.00 1.49 H new ATOM 182 N SER A 13 11.413 -0.186 0.355 1.00 1.25 N ATOM 183 CA SER A 13 12.639 0.569 0.306 1.00 1.52 C ATOM 184 C SER A 13 12.455 1.703 -0.702 1.00 1.94 C ATOM 185 O SER A 13 11.958 1.465 -1.803 1.00 2.46 O ATOM 186 CB SER A 13 13.762 -0.395 -0.086 1.00 1.78 C ATOM 187 OG SER A 13 14.664 -0.537 1.000 1.00 2.44 O ATOM 0 H SER A 13 11.489 -1.126 -0.034 1.00 1.25 H new ATOM 0 HA SER A 13 12.898 1.017 1.265 1.00 1.52 H new ATOM 0 HB2 SER A 13 13.345 -1.365 -0.356 1.00 1.78 H new ATOM 0 HB3 SER A 13 14.289 -0.019 -0.963 1.00 1.78 H new ATOM 0 HG SER A 13 15.382 -1.155 0.750 1.00 2.44 H new ATOM 193 N LYS A 14 12.845 2.919 -0.316 1.00 1.94 N ATOM 194 CA LYS A 14 12.601 4.146 -1.038 1.00 2.35 C ATOM 195 C LYS A 14 11.167 4.196 -1.563 1.00 1.71 C ATOM 196 O LYS A 14 10.226 4.401 -0.802 1.00 2.26 O ATOM 197 CB LYS A 14 13.635 4.319 -2.164 1.00 3.72 C ATOM 198 CG LYS A 14 15.038 4.653 -1.660 1.00 4.72 C ATOM 199 CD LYS A 14 16.062 4.733 -2.801 1.00 6.29 C ATOM 200 CE LYS A 14 15.534 5.281 -4.134 1.00 7.20 C ATOM 201 NZ LYS A 14 15.059 6.679 -4.067 1.00 7.53 N ATOM 0 H LYS A 14 13.363 3.070 0.550 1.00 1.94 H new ATOM 0 HA LYS A 14 12.717 4.985 -0.352 1.00 2.35 H new ATOM 0 HB2 LYS A 14 13.678 3.401 -2.751 1.00 3.72 H new ATOM 0 HB3 LYS A 14 13.301 5.111 -2.834 1.00 3.72 H new ATOM 0 HG2 LYS A 14 15.014 5.604 -1.129 1.00 4.72 H new ATOM 0 HG3 LYS A 14 15.354 3.895 -0.943 1.00 4.72 H new ATOM 0 HD2 LYS A 14 16.893 5.359 -2.476 1.00 6.29 H new ATOM 0 HD3 LYS A 14 16.464 3.735 -2.974 1.00 6.29 H new ATOM 0 HE2 LYS A 14 16.325 5.213 -4.881 1.00 7.20 H new ATOM 0 HE3 LYS A 14 14.716 4.647 -4.477 1.00 7.20 H new ATOM 0 HZ1 LYS A 14 14.167 6.768 -4.594 1.00 7.53 H new ATOM 0 HZ2 LYS A 14 14.903 6.945 -3.074 1.00 7.53 H new ATOM 0 HZ3 LYS A 14 15.773 7.309 -4.486 1.00 7.53 H new ATOM 215 N THR A 15 11.006 4.015 -2.865 1.00 1.69 N ATOM 216 CA THR A 15 9.839 4.450 -3.594 1.00 2.02 C ATOM 217 C THR A 15 9.694 3.508 -4.787 1.00 2.05 C ATOM 218 O THR A 15 9.639 3.930 -5.944 1.00 2.66 O ATOM 219 CB THR A 15 10.082 5.918 -3.981 1.00 2.76 C ATOM 220 OG1 THR A 15 11.417 6.080 -4.436 1.00 2.85 O ATOM 221 CG2 THR A 15 9.933 6.838 -2.766 1.00 3.19 C ATOM 0 H THR A 15 11.701 3.551 -3.450 1.00 1.69 H new ATOM 0 HA THR A 15 8.907 4.411 -3.030 1.00 2.02 H new ATOM 0 HB THR A 15 9.354 6.173 -4.751 1.00 2.76 H new ATOM 0 HG1 THR A 15 11.567 7.016 -4.683 1.00 2.85 H new ATOM 0 HG21 THR A 15 10.110 7.870 -3.067 1.00 3.19 H new ATOM 0 HG22 THR A 15 8.925 6.746 -2.361 1.00 3.19 H new ATOM 0 HG23 THR A 15 10.658 6.554 -2.003 1.00 3.19 H new ATOM 229 N ALA A 16 9.747 2.212 -4.480 1.00 1.71 N ATOM 230 CA ALA A 16 9.938 1.158 -5.457 1.00 1.86 C ATOM 231 C ALA A 16 8.797 1.051 -6.478 1.00 1.88 C ATOM 232 O ALA A 16 7.686 1.543 -6.268 1.00 1.84 O ATOM 233 CB ALA A 16 10.122 -0.163 -4.710 1.00 1.94 C ATOM 0 H ALA A 16 9.656 1.866 -3.525 1.00 1.71 H new ATOM 0 HA ALA A 16 10.825 1.401 -6.042 1.00 1.86 H new ATOM 0 HB1 ALA A 16 10.267 -0.970 -5.428 1.00 1.94 H new ATOM 0 HB2 ALA A 16 10.994 -0.095 -4.059 1.00 1.94 H new ATOM 0 HB3 ALA A 16 9.236 -0.368 -4.109 1.00 1.94 H new ATOM 239 N GLU A 17 9.100 0.361 -7.578 1.00 2.13 N ATOM 240 CA GLU A 17 8.178 -0.119 -8.571 1.00 2.20 C ATOM 241 C GLU A 17 7.287 -1.196 -7.955 1.00 1.74 C ATOM 242 O GLU A 17 7.625 -1.816 -6.937 1.00 1.40 O ATOM 243 CB GLU A 17 9.048 -0.727 -9.680 1.00 2.47 C ATOM 244 CG GLU A 17 8.286 -1.138 -10.927 1.00 2.84 C ATOM 245 CD GLU A 17 9.205 -1.795 -11.921 1.00 2.54 C ATOM 246 OE1 GLU A 17 10.124 -1.101 -12.406 1.00 3.18 O ATOM 247 OE2 GLU A 17 9.048 -3.013 -12.161 1.00 2.91 O ATOM 0 H GLU A 17 10.064 0.114 -7.800 1.00 2.13 H new ATOM 0 HA GLU A 17 7.534 0.672 -8.954 1.00 2.20 H new ATOM 0 HB2 GLU A 17 9.814 -0.004 -9.960 1.00 2.47 H new ATOM 0 HB3 GLU A 17 9.564 -1.600 -9.281 1.00 2.47 H new ATOM 0 HG2 GLU A 17 7.483 -1.824 -10.658 1.00 2.84 H new ATOM 0 HG3 GLU A 17 7.820 -0.263 -11.379 1.00 2.84 H new ATOM 254 N GLU A 18 6.218 -1.518 -8.681 1.00 1.89 N ATOM 255 CA GLU A 18 5.223 -2.496 -8.310 1.00 1.82 C ATOM 256 C GLU A 18 5.876 -3.842 -7.985 1.00 1.42 C ATOM 257 O GLU A 18 5.334 -4.624 -7.213 1.00 1.46 O ATOM 258 CB GLU A 18 4.175 -2.685 -9.395 1.00 2.30 C ATOM 259 CG GLU A 18 3.694 -1.369 -10.001 1.00 2.37 C ATOM 260 CD GLU A 18 3.718 -0.166 -9.082 1.00 2.83 C ATOM 261 OE1 GLU A 18 2.866 -0.082 -8.180 1.00 4.26 O ATOM 262 OE2 GLU A 18 4.634 0.654 -9.318 1.00 3.48 O ATOM 0 H GLU A 18 6.022 -1.080 -9.581 1.00 1.89 H new ATOM 0 HA GLU A 18 4.723 -2.113 -7.420 1.00 1.82 H new ATOM 0 HB2 GLU A 18 4.588 -3.312 -10.185 1.00 2.30 H new ATOM 0 HB3 GLU A 18 3.321 -3.219 -8.978 1.00 2.30 H new ATOM 0 HG2 GLU A 18 4.309 -1.147 -10.873 1.00 2.37 H new ATOM 0 HG3 GLU A 18 2.674 -1.508 -10.358 1.00 2.37 H new ATOM 269 N ARG A 19 7.037 -4.118 -8.578 1.00 1.20 N ATOM 270 CA ARG A 19 7.725 -5.375 -8.377 1.00 1.12 C ATOM 271 C ARG A 19 8.052 -5.597 -6.912 1.00 0.98 C ATOM 272 O ARG A 19 7.737 -6.657 -6.361 1.00 1.05 O ATOM 273 CB ARG A 19 8.995 -5.456 -9.242 1.00 1.24 C ATOM 274 CG ARG A 19 9.274 -6.887 -9.725 1.00 1.47 C ATOM 275 CD ARG A 19 8.062 -7.347 -10.540 1.00 2.32 C ATOM 276 NE ARG A 19 8.327 -8.371 -11.557 1.00 2.86 N ATOM 277 CZ ARG A 19 9.014 -8.232 -12.703 1.00 3.41 C ATOM 278 NH1 ARG A 19 9.710 -7.124 -12.965 1.00 3.97 N ATOM 279 NH2 ARG A 19 9.009 -9.235 -13.578 1.00 4.28 N ATOM 0 H ARG A 19 7.518 -3.475 -9.207 1.00 1.20 H new ATOM 0 HA ARG A 19 7.052 -6.172 -8.692 1.00 1.12 H new ATOM 0 HB2 ARG A 19 8.889 -4.797 -10.104 1.00 1.24 H new ATOM 0 HB3 ARG A 19 9.848 -5.095 -8.668 1.00 1.24 H new ATOM 0 HG2 ARG A 19 10.178 -6.916 -10.334 1.00 1.47 H new ATOM 0 HG3 ARG A 19 9.439 -7.552 -8.877 1.00 1.47 H new ATOM 0 HD2 ARG A 19 7.310 -7.732 -9.851 1.00 2.32 H new ATOM 0 HD3 ARG A 19 7.628 -6.477 -11.032 1.00 2.32 H new ATOM 0 HE ARG A 19 7.944 -9.298 -11.372 1.00 2.86 H new ATOM 0 HH11 ARG A 19 9.728 -6.361 -12.288 1.00 3.97 H new ATOM 0 HH12 ARG A 19 10.224 -7.040 -13.842 1.00 3.97 H new ATOM 0 HH21 ARG A 19 8.490 -10.089 -13.372 1.00 4.28 H new ATOM 0 HH22 ARG A 19 9.524 -9.150 -14.454 1.00 4.28 H new ATOM 293 N GLU A 20 8.736 -4.645 -6.275 1.00 0.90 N ATOM 294 CA GLU A 20 9.089 -4.839 -4.881 1.00 0.84 C ATOM 295 C GLU A 20 7.874 -4.487 -4.019 1.00 0.76 C ATOM 296 O GLU A 20 7.656 -5.077 -2.957 1.00 0.74 O ATOM 297 CB GLU A 20 10.336 -4.034 -4.500 1.00 0.93 C ATOM 298 CG GLU A 20 10.762 -4.395 -3.073 1.00 0.96 C ATOM 299 CD GLU A 20 12.153 -3.939 -2.686 1.00 1.41 C ATOM 300 OE1 GLU A 20 12.594 -2.853 -3.106 1.00 2.53 O ATOM 301 OE2 GLU A 20 12.793 -4.699 -1.924 1.00 2.16 O ATOM 0 H GLU A 20 9.044 -3.765 -6.689 1.00 0.90 H new ATOM 0 HA GLU A 20 9.351 -5.882 -4.706 1.00 0.84 H new ATOM 0 HB2 GLU A 20 11.146 -4.247 -5.197 1.00 0.93 H new ATOM 0 HB3 GLU A 20 10.128 -2.966 -4.569 1.00 0.93 H new ATOM 0 HG2 GLU A 20 10.046 -3.960 -2.375 1.00 0.96 H new ATOM 0 HG3 GLU A 20 10.705 -5.477 -2.956 1.00 0.96 H new ATOM 308 N ILE A 21 7.037 -3.567 -4.499 1.00 0.81 N ATOM 309 CA ILE A 21 5.793 -3.213 -3.833 1.00 0.77 C ATOM 310 C ILE A 21 4.970 -4.468 -3.578 1.00 0.78 C ATOM 311 O ILE A 21 4.422 -4.635 -2.496 1.00 0.77 O ATOM 312 CB ILE A 21 5.038 -2.261 -4.761 1.00 1.00 C ATOM 313 CG1 ILE A 21 5.659 -0.861 -4.769 1.00 1.05 C ATOM 314 CG2 ILE A 21 3.509 -2.237 -4.622 1.00 1.27 C ATOM 315 CD1 ILE A 21 5.223 -0.095 -3.538 1.00 1.14 C ATOM 0 H ILE A 21 7.207 -3.049 -5.361 1.00 0.81 H new ATOM 0 HA ILE A 21 5.985 -2.736 -2.872 1.00 0.77 H new ATOM 0 HB ILE A 21 5.176 -2.699 -5.749 1.00 1.00 H new ATOM 0 HG12 ILE A 21 6.746 -0.936 -4.795 1.00 1.05 H new ATOM 0 HG13 ILE A 21 5.355 -0.324 -5.668 1.00 1.05 H new ATOM 0 HG21 ILE A 21 3.090 -1.524 -5.332 1.00 1.27 H new ATOM 0 HG22 ILE A 21 3.109 -3.230 -4.826 1.00 1.27 H new ATOM 0 HG23 ILE A 21 3.240 -1.939 -3.608 1.00 1.27 H new ATOM 0 HD11 ILE A 21 5.669 0.899 -3.551 1.00 1.14 H new ATOM 0 HD12 ILE A 21 4.137 -0.005 -3.531 1.00 1.14 H new ATOM 0 HD13 ILE A 21 5.549 -0.627 -2.644 1.00 1.14 H new ATOM 327 N ARG A 22 4.906 -5.365 -4.560 1.00 0.92 N ATOM 328 CA ARG A 22 4.174 -6.607 -4.428 1.00 1.07 C ATOM 329 C ARG A 22 4.646 -7.363 -3.195 1.00 0.99 C ATOM 330 O ARG A 22 3.827 -7.900 -2.450 1.00 1.08 O ATOM 331 CB ARG A 22 4.336 -7.481 -5.681 1.00 1.38 C ATOM 332 CG ARG A 22 2.960 -7.964 -6.133 1.00 1.68 C ATOM 333 CD ARG A 22 2.241 -6.864 -6.920 1.00 1.62 C ATOM 334 NE ARG A 22 0.778 -6.874 -6.778 1.00 2.31 N ATOM 335 CZ ARG A 22 -0.097 -7.882 -6.922 1.00 3.27 C ATOM 336 NH1 ARG A 22 0.284 -9.154 -6.976 1.00 4.52 N ATOM 337 NH2 ARG A 22 -1.393 -7.597 -7.019 1.00 3.74 N ATOM 0 H ARG A 22 5.362 -5.245 -5.465 1.00 0.92 H new ATOM 0 HA ARG A 22 3.116 -6.368 -4.317 1.00 1.07 H new ATOM 0 HB2 ARG A 22 4.815 -6.912 -6.477 1.00 1.38 H new ATOM 0 HB3 ARG A 22 4.981 -8.332 -5.465 1.00 1.38 H new ATOM 0 HG2 ARG A 22 3.065 -8.854 -6.753 1.00 1.68 H new ATOM 0 HG3 ARG A 22 2.364 -8.248 -5.266 1.00 1.68 H new ATOM 0 HD2 ARG A 22 2.619 -5.895 -6.594 1.00 1.62 H new ATOM 0 HD3 ARG A 22 2.492 -6.966 -7.976 1.00 1.62 H new ATOM 0 HE ARG A 22 0.363 -5.975 -6.532 1.00 2.31 H new ATOM 0 HH11 ARG A 22 1.273 -9.393 -6.907 1.00 4.52 H new ATOM 0 HH12 ARG A 22 -0.413 -9.891 -7.086 1.00 4.52 H new ATOM 0 HH21 ARG A 22 -1.706 -6.627 -6.983 1.00 3.74 H new ATOM 0 HH22 ARG A 22 -2.074 -8.349 -7.129 1.00 3.74 H new ATOM 351 N LYS A 23 5.961 -7.415 -2.970 1.00 0.90 N ATOM 352 CA LYS A 23 6.488 -8.005 -1.772 1.00 0.93 C ATOM 353 C LYS A 23 5.960 -7.265 -0.549 1.00 0.83 C ATOM 354 O LYS A 23 5.370 -7.913 0.305 1.00 0.89 O ATOM 355 CB LYS A 23 8.019 -8.102 -1.773 1.00 0.94 C ATOM 356 CG LYS A 23 8.523 -9.482 -2.197 1.00 1.66 C ATOM 357 CD LYS A 23 8.183 -9.768 -3.663 1.00 1.19 C ATOM 358 CE LYS A 23 9.082 -10.887 -4.210 1.00 1.80 C ATOM 359 NZ LYS A 23 10.432 -10.388 -4.537 1.00 2.84 N ATOM 0 H LYS A 23 6.667 -7.052 -3.611 1.00 0.90 H new ATOM 0 HA LYS A 23 6.136 -9.036 -1.732 1.00 0.93 H new ATOM 0 HB2 LYS A 23 8.426 -7.348 -2.447 1.00 0.94 H new ATOM 0 HB3 LYS A 23 8.394 -7.874 -0.775 1.00 0.94 H new ATOM 0 HG2 LYS A 23 9.602 -9.538 -2.053 1.00 1.66 H new ATOM 0 HG3 LYS A 23 8.076 -10.247 -1.561 1.00 1.66 H new ATOM 0 HD2 LYS A 23 7.136 -10.058 -3.751 1.00 1.19 H new ATOM 0 HD3 LYS A 23 8.314 -8.864 -4.257 1.00 1.19 H new ATOM 0 HE2 LYS A 23 9.158 -11.687 -3.473 1.00 1.80 H new ATOM 0 HE3 LYS A 23 8.627 -11.317 -5.102 1.00 1.80 H new ATOM 0 HZ1 LYS A 23 10.962 -11.126 -5.042 1.00 2.84 H new ATOM 0 HZ2 LYS A 23 10.354 -9.544 -5.140 1.00 2.84 H new ATOM 0 HZ3 LYS A 23 10.933 -10.141 -3.660 1.00 2.84 H new ATOM 373 N ALA A 24 6.146 -5.949 -0.426 1.00 0.76 N ATOM 374 CA ALA A 24 5.686 -5.277 0.782 1.00 0.73 C ATOM 375 C ALA A 24 4.202 -5.556 1.043 1.00 0.72 C ATOM 376 O ALA A 24 3.798 -5.878 2.161 1.00 0.84 O ATOM 377 CB ALA A 24 5.966 -3.786 0.666 1.00 0.74 C ATOM 0 H ALA A 24 6.594 -5.351 -1.120 1.00 0.76 H new ATOM 0 HA ALA A 24 6.233 -5.670 1.639 1.00 0.73 H new ATOM 0 HB1 ALA A 24 5.623 -3.280 1.568 1.00 0.74 H new ATOM 0 HB2 ALA A 24 7.037 -3.625 0.545 1.00 0.74 H new ATOM 0 HB3 ALA A 24 5.439 -3.383 -0.199 1.00 0.74 H new ATOM 383 N TYR A 25 3.401 -5.498 -0.016 1.00 0.68 N ATOM 384 CA TYR A 25 1.988 -5.808 0.019 1.00 0.72 C ATOM 385 C TYR A 25 1.760 -7.222 0.560 1.00 0.85 C ATOM 386 O TYR A 25 0.988 -7.397 1.502 1.00 0.88 O ATOM 387 CB TYR A 25 1.394 -5.596 -1.386 1.00 0.83 C ATOM 388 CG TYR A 25 -0.114 -5.469 -1.418 1.00 0.76 C ATOM 389 CD1 TYR A 25 -0.717 -4.337 -0.847 1.00 2.05 C ATOM 390 CD2 TYR A 25 -0.917 -6.459 -2.014 1.00 1.54 C ATOM 391 CE1 TYR A 25 -2.112 -4.286 -0.688 1.00 2.49 C ATOM 392 CE2 TYR A 25 -2.317 -6.367 -1.924 1.00 1.46 C ATOM 393 CZ TYR A 25 -2.908 -5.332 -1.181 1.00 1.54 C ATOM 394 OH TYR A 25 -4.254 -5.333 -0.955 1.00 2.08 O ATOM 0 H TYR A 25 3.731 -5.227 -0.942 1.00 0.68 H new ATOM 0 HA TYR A 25 1.469 -5.137 0.704 1.00 0.72 H new ATOM 0 HB2 TYR A 25 1.831 -4.696 -1.819 1.00 0.83 H new ATOM 0 HB3 TYR A 25 1.689 -6.431 -2.021 1.00 0.83 H new ATOM 0 HD1 TYR A 25 -0.107 -3.504 -0.529 1.00 2.05 H new ATOM 0 HD2 TYR A 25 -0.460 -7.285 -2.538 1.00 1.54 H new ATOM 0 HE1 TYR A 25 -2.570 -3.445 -0.188 1.00 2.49 H new ATOM 0 HE2 TYR A 25 -2.939 -7.093 -2.427 1.00 1.46 H new ATOM 0 HH TYR A 25 -4.654 -6.128 -1.365 1.00 2.08 H new ATOM 404 N LYS A 26 2.414 -8.238 -0.014 1.00 0.99 N ATOM 405 CA LYS A 26 2.264 -9.623 0.408 1.00 1.18 C ATOM 406 C LYS A 26 2.724 -9.826 1.853 1.00 1.22 C ATOM 407 O LYS A 26 2.177 -10.650 2.583 1.00 1.45 O ATOM 408 CB LYS A 26 2.924 -10.609 -0.584 1.00 1.29 C ATOM 409 CG LYS A 26 4.355 -11.050 -0.238 1.00 2.80 C ATOM 410 CD LYS A 26 4.906 -12.116 -1.198 1.00 3.56 C ATOM 411 CE LYS A 26 4.172 -13.466 -1.128 1.00 3.69 C ATOM 412 NZ LYS A 26 4.080 -14.019 0.242 1.00 5.07 N ATOM 0 H LYS A 26 3.065 -8.115 -0.789 1.00 0.99 H new ATOM 0 HA LYS A 26 1.199 -9.855 0.391 1.00 1.18 H new ATOM 0 HB2 LYS A 26 2.297 -11.498 -0.654 1.00 1.29 H new ATOM 0 HB3 LYS A 26 2.935 -10.148 -1.572 1.00 1.29 H new ATOM 0 HG2 LYS A 26 5.011 -10.180 -0.256 1.00 2.80 H new ATOM 0 HG3 LYS A 26 4.372 -11.442 0.779 1.00 2.80 H new ATOM 0 HD2 LYS A 26 4.848 -11.736 -2.218 1.00 3.56 H new ATOM 0 HD3 LYS A 26 5.961 -12.277 -0.978 1.00 3.56 H new ATOM 0 HE2 LYS A 26 3.166 -13.345 -1.530 1.00 3.69 H new ATOM 0 HE3 LYS A 26 4.687 -14.184 -1.767 1.00 3.69 H new ATOM 0 HZ1 LYS A 26 3.666 -14.972 0.204 1.00 5.07 H new ATOM 0 HZ2 LYS A 26 5.031 -14.070 0.660 1.00 5.07 H new ATOM 0 HZ3 LYS A 26 3.478 -13.403 0.825 1.00 5.07 H new ATOM 426 N ARG A 27 3.780 -9.124 2.259 1.00 1.13 N ATOM 427 CA ARG A 27 4.289 -9.214 3.612 1.00 1.26 C ATOM 428 C ARG A 27 3.199 -8.712 4.546 1.00 1.12 C ATOM 429 O ARG A 27 2.694 -9.474 5.363 1.00 1.06 O ATOM 430 CB ARG A 27 5.603 -8.439 3.760 1.00 1.34 C ATOM 431 CG ARG A 27 6.705 -9.108 2.930 1.00 1.82 C ATOM 432 CD ARG A 27 7.980 -8.263 2.928 1.00 2.52 C ATOM 433 NE ARG A 27 8.858 -8.647 4.042 1.00 2.93 N ATOM 434 CZ ARG A 27 9.766 -9.634 3.988 1.00 4.03 C ATOM 435 NH1 ARG A 27 9.864 -10.373 2.880 1.00 4.89 N ATOM 436 NH2 ARG A 27 10.555 -9.871 5.028 1.00 4.85 N ATOM 0 H ARG A 27 4.299 -8.483 1.659 1.00 1.13 H new ATOM 0 HA ARG A 27 4.531 -10.245 3.869 1.00 1.26 H new ATOM 0 HB2 ARG A 27 5.465 -7.408 3.433 1.00 1.34 H new ATOM 0 HB3 ARG A 27 5.897 -8.404 4.809 1.00 1.34 H new ATOM 0 HG2 ARG A 27 6.921 -10.097 3.335 1.00 1.82 H new ATOM 0 HG3 ARG A 27 6.358 -9.251 1.907 1.00 1.82 H new ATOM 0 HD2 ARG A 27 8.506 -8.392 1.982 1.00 2.52 H new ATOM 0 HD3 ARG A 27 7.723 -7.207 3.008 1.00 2.52 H new ATOM 0 HE ARG A 27 8.772 -8.128 4.916 1.00 2.93 H new ATOM 0 HH11 ARG A 27 9.252 -10.185 2.086 1.00 4.89 H new ATOM 0 HH12 ARG A 27 10.551 -11.126 2.828 1.00 4.89 H new ATOM 0 HH21 ARG A 27 10.472 -9.303 5.871 1.00 4.85 H new ATOM 0 HH22 ARG A 27 11.244 -10.622 4.985 1.00 4.85 H new ATOM 450 N LEU A 28 2.771 -7.462 4.391 1.00 1.05 N ATOM 451 CA LEU A 28 1.703 -6.923 5.218 1.00 0.89 C ATOM 452 C LEU A 28 0.445 -7.788 5.126 1.00 0.84 C ATOM 453 O LEU A 28 -0.287 -7.900 6.106 1.00 0.85 O ATOM 454 CB LEU A 28 1.404 -5.491 4.789 1.00 0.85 C ATOM 455 CG LEU A 28 2.341 -4.465 5.430 1.00 1.06 C ATOM 456 CD1 LEU A 28 2.433 -3.249 4.517 1.00 1.61 C ATOM 457 CD2 LEU A 28 1.781 -3.999 6.776 1.00 1.49 C ATOM 0 H LEU A 28 3.147 -6.809 3.704 1.00 1.05 H new ATOM 0 HA LEU A 28 2.028 -6.927 6.258 1.00 0.89 H new ATOM 0 HB2 LEU A 28 1.483 -5.419 3.704 1.00 0.85 H new ATOM 0 HB3 LEU A 28 0.374 -5.247 5.050 1.00 0.85 H new ATOM 0 HG LEU A 28 3.318 -4.925 5.578 1.00 1.06 H new ATOM 0 HD11 LEU A 28 3.098 -2.509 4.962 1.00 1.61 H new ATOM 0 HD12 LEU A 28 2.825 -3.552 3.546 1.00 1.61 H new ATOM 0 HD13 LEU A 28 1.442 -2.815 4.389 1.00 1.61 H new ATOM 0 HD21 LEU A 28 2.459 -3.270 7.219 1.00 1.49 H new ATOM 0 HD22 LEU A 28 0.804 -3.541 6.624 1.00 1.49 H new ATOM 0 HD23 LEU A 28 1.681 -4.854 7.444 1.00 1.49 H new ATOM 469 N ALA A 29 0.181 -8.421 3.982 1.00 0.99 N ATOM 470 CA ALA A 29 -0.980 -9.286 3.840 1.00 1.16 C ATOM 471 C ALA A 29 -1.015 -10.367 4.909 1.00 1.28 C ATOM 472 O ALA A 29 -2.092 -10.791 5.301 1.00 1.23 O ATOM 473 CB ALA A 29 -1.028 -9.937 2.462 1.00 1.53 C ATOM 0 H ALA A 29 0.758 -8.348 3.144 1.00 0.99 H new ATOM 0 HA ALA A 29 -1.855 -8.647 3.961 1.00 1.16 H new ATOM 0 HB1 ALA A 29 -1.908 -10.576 2.392 1.00 1.53 H new ATOM 0 HB2 ALA A 29 -1.079 -9.163 1.696 1.00 1.53 H new ATOM 0 HB3 ALA A 29 -0.131 -10.538 2.312 1.00 1.53 H new ATOM 479 N MET A 30 0.142 -10.804 5.407 1.00 1.70 N ATOM 480 CA MET A 30 0.185 -11.750 6.512 1.00 2.03 C ATOM 481 C MET A 30 -0.715 -11.291 7.669 1.00 1.75 C ATOM 482 O MET A 30 -1.322 -12.118 8.344 1.00 1.85 O ATOM 483 CB MET A 30 1.635 -12.017 6.947 1.00 3.20 C ATOM 484 CG MET A 30 2.189 -11.024 7.978 1.00 4.93 C ATOM 485 SD MET A 30 3.919 -11.244 8.467 1.00 6.55 S ATOM 486 CE MET A 30 4.834 -10.849 6.963 1.00 6.63 C ATOM 0 H MET A 30 1.057 -10.516 5.061 1.00 1.70 H new ATOM 0 HA MET A 30 -0.218 -12.704 6.171 1.00 2.03 H new ATOM 0 HB2 MET A 30 1.696 -13.023 7.363 1.00 3.20 H new ATOM 0 HB3 MET A 30 2.274 -11.998 6.064 1.00 3.20 H new ATOM 0 HG2 MET A 30 2.074 -10.017 7.577 1.00 4.93 H new ATOM 0 HG3 MET A 30 1.571 -11.083 8.874 1.00 4.93 H new ATOM 0 HE1 MET A 30 5.891 -11.070 7.111 1.00 6.63 H new ATOM 0 HE2 MET A 30 4.451 -11.447 6.136 1.00 6.63 H new ATOM 0 HE3 MET A 30 4.714 -9.791 6.732 1.00 6.63 H new ATOM 496 N LYS A 31 -0.789 -9.981 7.914 1.00 1.97 N ATOM 497 CA LYS A 31 -1.628 -9.370 8.912 1.00 2.75 C ATOM 498 C LYS A 31 -3.056 -9.265 8.370 1.00 2.84 C ATOM 499 O LYS A 31 -3.952 -9.932 8.881 1.00 3.65 O ATOM 500 CB LYS A 31 -1.032 -8.003 9.280 1.00 3.08 C ATOM 501 CG LYS A 31 -0.105 -8.122 10.498 1.00 3.02 C ATOM 502 CD LYS A 31 1.009 -7.072 10.426 1.00 2.72 C ATOM 503 CE LYS A 31 2.097 -7.446 9.406 1.00 2.42 C ATOM 504 NZ LYS A 31 3.085 -8.395 9.968 1.00 3.25 N ATOM 0 H LYS A 31 -0.237 -9.300 7.393 1.00 1.97 H new ATOM 0 HA LYS A 31 -1.671 -9.971 9.820 1.00 2.75 H new ATOM 0 HB2 LYS A 31 -0.476 -7.604 8.432 1.00 3.08 H new ATOM 0 HB3 LYS A 31 -1.834 -7.298 9.496 1.00 3.08 H new ATOM 0 HG2 LYS A 31 -0.680 -7.990 11.415 1.00 3.02 H new ATOM 0 HG3 LYS A 31 0.330 -9.121 10.536 1.00 3.02 H new ATOM 0 HD2 LYS A 31 0.579 -6.107 10.158 1.00 2.72 H new ATOM 0 HD3 LYS A 31 1.461 -6.957 11.411 1.00 2.72 H new ATOM 0 HE2 LYS A 31 1.631 -7.888 8.525 1.00 2.42 H new ATOM 0 HE3 LYS A 31 2.610 -6.543 9.076 1.00 2.42 H new ATOM 0 HZ1 LYS A 31 3.411 -9.040 9.220 1.00 3.25 H new ATOM 0 HZ2 LYS A 31 3.897 -7.867 10.348 1.00 3.25 H new ATOM 0 HZ3 LYS A 31 2.642 -8.945 10.731 1.00 3.25 H new ATOM 518 N TYR A 32 -3.267 -8.452 7.326 1.00 2.50 N ATOM 519 CA TYR A 32 -4.610 -8.101 6.848 1.00 3.31 C ATOM 520 C TYR A 32 -5.257 -9.209 6.002 1.00 3.28 C ATOM 521 O TYR A 32 -6.256 -8.984 5.315 1.00 4.11 O ATOM 522 CB TYR A 32 -4.590 -6.740 6.131 1.00 3.65 C ATOM 523 CG TYR A 32 -3.854 -6.691 4.802 1.00 4.03 C ATOM 524 CD1 TYR A 32 -4.512 -7.027 3.604 1.00 5.45 C ATOM 525 CD2 TYR A 32 -2.530 -6.229 4.747 1.00 4.04 C ATOM 526 CE1 TYR A 32 -3.815 -7.026 2.384 1.00 6.43 C ATOM 527 CE2 TYR A 32 -1.867 -6.135 3.508 1.00 5.22 C ATOM 528 CZ TYR A 32 -2.474 -6.625 2.349 1.00 6.23 C ATOM 529 OH TYR A 32 -1.746 -6.772 1.210 1.00 7.60 O ATOM 0 H TYR A 32 -2.513 -8.021 6.791 1.00 2.50 H new ATOM 0 HA TYR A 32 -5.252 -8.005 7.724 1.00 3.31 H new ATOM 0 HB2 TYR A 32 -5.620 -6.426 5.964 1.00 3.65 H new ATOM 0 HB3 TYR A 32 -4.138 -6.007 6.800 1.00 3.65 H new ATOM 0 HD1 TYR A 32 -5.560 -7.287 3.623 1.00 5.45 H new ATOM 0 HD2 TYR A 32 -2.019 -5.945 5.655 1.00 4.04 H new ATOM 0 HE1 TYR A 32 -4.312 -7.334 1.476 1.00 6.43 H new ATOM 0 HE2 TYR A 32 -0.888 -5.683 3.454 1.00 5.22 H new ATOM 0 HH TYR A 32 -1.925 -6.020 0.608 1.00 7.60 H new ATOM 539 N HIS A 33 -4.672 -10.402 6.025 1.00 2.54 N ATOM 540 CA HIS A 33 -5.181 -11.615 5.413 1.00 2.45 C ATOM 541 C HIS A 33 -6.682 -11.756 5.705 1.00 2.94 C ATOM 542 O HIS A 33 -7.112 -11.475 6.824 1.00 3.23 O ATOM 543 CB HIS A 33 -4.409 -12.809 6.001 1.00 2.08 C ATOM 544 CG HIS A 33 -4.013 -13.862 5.007 1.00 2.52 C ATOM 545 ND1 HIS A 33 -4.292 -15.205 5.108 1.00 3.09 N ATOM 546 CD2 HIS A 33 -3.134 -13.693 3.972 1.00 3.63 C ATOM 547 CE1 HIS A 33 -3.631 -15.828 4.117 1.00 3.85 C ATOM 548 NE2 HIS A 33 -2.874 -14.955 3.425 1.00 4.23 N ATOM 0 H HIS A 33 -3.781 -10.552 6.498 1.00 2.54 H new ATOM 0 HA HIS A 33 -5.045 -11.580 4.332 1.00 2.45 H new ATOM 0 HB2 HIS A 33 -3.509 -12.435 6.489 1.00 2.08 H new ATOM 0 HB3 HIS A 33 -5.022 -13.273 6.774 1.00 2.08 H new ATOM 0 HD1 HIS A 33 -4.890 -15.647 5.806 1.00 3.09 H new ATOM 0 HD2 HIS A 33 -2.716 -12.755 3.637 1.00 3.63 H new ATOM 0 HE1 HIS A 33 -3.698 -16.885 3.905 1.00 3.85 H new ATOM 556 N PRO A 34 -7.502 -12.222 4.751 1.00 3.45 N ATOM 557 CA PRO A 34 -8.919 -12.445 4.978 1.00 4.01 C ATOM 558 C PRO A 34 -9.073 -13.778 5.709 1.00 3.63 C ATOM 559 O PRO A 34 -9.714 -14.708 5.212 1.00 4.27 O ATOM 560 CB PRO A 34 -9.517 -12.483 3.572 1.00 4.96 C ATOM 561 CG PRO A 34 -8.413 -13.168 2.768 1.00 4.88 C ATOM 562 CD PRO A 34 -7.124 -12.652 3.414 1.00 3.94 C ATOM 0 HA PRO A 34 -9.412 -11.687 5.587 1.00 4.01 H new ATOM 0 HB2 PRO A 34 -10.451 -13.045 3.542 1.00 4.96 H new ATOM 0 HB3 PRO A 34 -9.734 -11.484 3.195 1.00 4.96 H new ATOM 0 HG2 PRO A 34 -8.486 -14.254 2.831 1.00 4.88 H new ATOM 0 HG3 PRO A 34 -8.465 -12.906 1.711 1.00 4.88 H new ATOM 0 HD2 PRO A 34 -6.365 -13.433 3.453 1.00 3.94 H new ATOM 0 HD3 PRO A 34 -6.702 -11.826 2.841 1.00 3.94 H new ATOM 570 N ASP A 35 -8.426 -13.920 6.867 1.00 3.18 N ATOM 571 CA ASP A 35 -8.312 -15.205 7.528 1.00 3.37 C ATOM 572 C ASP A 35 -9.547 -15.417 8.382 1.00 3.24 C ATOM 573 O ASP A 35 -9.513 -15.275 9.604 1.00 3.71 O ATOM 574 CB ASP A 35 -6.985 -15.351 8.282 1.00 3.67 C ATOM 575 CG ASP A 35 -6.387 -16.692 7.945 1.00 4.48 C ATOM 576 OD1 ASP A 35 -6.872 -17.715 8.467 1.00 4.66 O ATOM 577 OD2 ASP A 35 -5.551 -16.733 7.016 1.00 5.68 O ATOM 0 H ASP A 35 -7.973 -13.152 7.362 1.00 3.18 H new ATOM 0 HA ASP A 35 -8.278 -16.007 6.791 1.00 3.37 H new ATOM 0 HB2 ASP A 35 -6.301 -14.550 8.002 1.00 3.67 H new ATOM 0 HB3 ASP A 35 -7.149 -15.269 9.356 1.00 3.67 H new ATOM 582 N ARG A 36 -10.653 -15.710 7.700 1.00 3.53 N ATOM 583 CA ARG A 36 -11.993 -15.622 8.254 1.00 3.65 C ATOM 584 C ARG A 36 -12.159 -14.324 9.058 1.00 3.48 C ATOM 585 O ARG A 36 -12.696 -14.352 10.157 1.00 3.63 O ATOM 586 CB ARG A 36 -12.447 -16.922 8.959 1.00 3.89 C ATOM 587 CG ARG A 36 -11.462 -17.690 9.870 1.00 3.96 C ATOM 588 CD ARG A 36 -10.321 -18.474 9.184 1.00 5.01 C ATOM 589 NE ARG A 36 -10.709 -18.961 7.851 1.00 6.27 N ATOM 590 CZ ARG A 36 -10.016 -18.779 6.715 1.00 7.56 C ATOM 591 NH1 ARG A 36 -8.710 -18.515 6.734 1.00 7.93 N ATOM 592 NH2 ARG A 36 -10.660 -18.841 5.548 1.00 8.99 N ATOM 0 H ARG A 36 -10.637 -16.021 6.729 1.00 3.53 H new ATOM 0 HA ARG A 36 -12.707 -15.546 7.434 1.00 3.65 H new ATOM 0 HB2 ARG A 36 -13.322 -16.676 9.561 1.00 3.89 H new ATOM 0 HB3 ARG A 36 -12.778 -17.613 8.184 1.00 3.89 H new ATOM 0 HG2 ARG A 36 -11.012 -16.974 10.558 1.00 3.96 H new ATOM 0 HG3 ARG A 36 -12.038 -18.392 10.472 1.00 3.96 H new ATOM 0 HD2 ARG A 36 -9.444 -17.833 9.094 1.00 5.01 H new ATOM 0 HD3 ARG A 36 -10.035 -19.320 9.810 1.00 5.01 H new ATOM 0 HE ARG A 36 -11.582 -19.484 7.784 1.00 6.27 H new ATOM 0 HH11 ARG A 36 -8.216 -18.447 7.624 1.00 7.93 H new ATOM 0 HH12 ARG A 36 -8.204 -18.380 5.859 1.00 7.93 H new ATOM 0 HH21 ARG A 36 -11.663 -19.024 5.528 1.00 8.99 H new ATOM 0 HH22 ARG A 36 -10.149 -18.705 4.676 1.00 8.99 H new ATOM 606 N ASN A 37 -11.673 -13.211 8.482 1.00 3.62 N ATOM 607 CA ASN A 37 -11.858 -11.826 8.924 1.00 3.80 C ATOM 608 C ASN A 37 -11.926 -11.703 10.441 1.00 2.99 C ATOM 609 O ASN A 37 -12.998 -11.531 11.020 1.00 3.28 O ATOM 610 CB ASN A 37 -12.965 -11.080 8.175 1.00 4.82 C ATOM 611 CG ASN A 37 -14.379 -11.576 8.473 1.00 6.19 C ATOM 612 OD1 ASN A 37 -15.201 -10.850 9.027 1.00 6.82 O ATOM 613 ND2 ASN A 37 -14.726 -12.771 8.014 1.00 7.36 N ATOM 0 H ASN A 37 -11.102 -13.263 7.638 1.00 3.62 H new ATOM 0 HA ASN A 37 -10.952 -11.294 8.635 1.00 3.80 H new ATOM 0 HB2 ASN A 37 -12.905 -10.021 8.425 1.00 4.82 H new ATOM 0 HB3 ASN A 37 -12.782 -11.165 7.104 1.00 4.82 H new ATOM 0 HD21 ASN A 37 -15.686 -13.098 8.119 1.00 7.36 H new ATOM 0 HD22 ASN A 37 -14.033 -13.363 7.556 1.00 7.36 H new ATOM 620 N GLN A 38 -10.754 -11.826 11.050 1.00 3.69 N ATOM 621 CA GLN A 38 -10.530 -12.045 12.468 1.00 4.78 C ATOM 622 C GLN A 38 -11.252 -11.012 13.348 1.00 4.25 C ATOM 623 O GLN A 38 -11.761 -10.001 12.873 1.00 4.13 O ATOM 624 CB GLN A 38 -9.009 -11.956 12.696 1.00 6.82 C ATOM 625 CG GLN A 38 -8.290 -13.275 12.387 1.00 8.17 C ATOM 626 CD GLN A 38 -8.858 -14.451 13.170 1.00 8.49 C ATOM 627 OE1 GLN A 38 -8.896 -14.421 14.394 1.00 8.68 O ATOM 628 NE2 GLN A 38 -9.344 -15.475 12.482 1.00 9.03 N ATOM 0 H GLN A 38 -9.878 -11.771 10.530 1.00 3.69 H new ATOM 0 HA GLN A 38 -10.932 -13.018 12.751 1.00 4.78 H new ATOM 0 HB2 GLN A 38 -8.597 -11.166 12.069 1.00 6.82 H new ATOM 0 HB3 GLN A 38 -8.816 -11.675 13.731 1.00 6.82 H new ATOM 0 HG2 GLN A 38 -8.365 -13.484 11.320 1.00 8.17 H new ATOM 0 HG3 GLN A 38 -7.230 -13.169 12.617 1.00 8.17 H new ATOM 0 HE21 GLN A 38 -9.298 -15.472 11.463 1.00 9.03 H new ATOM 0 HE22 GLN A 38 -9.763 -16.265 12.972 1.00 9.03 H new ATOM 637 N GLY A 39 -11.240 -11.251 14.662 1.00 5.00 N ATOM 638 CA GLY A 39 -11.792 -10.335 15.653 1.00 4.96 C ATOM 639 C GLY A 39 -11.319 -8.897 15.428 1.00 4.34 C ATOM 640 O GLY A 39 -12.085 -7.951 15.607 1.00 4.20 O ATOM 0 H GLY A 39 -10.841 -12.097 15.068 1.00 5.00 H new ATOM 0 HA2 GLY A 39 -12.881 -10.369 15.612 1.00 4.96 H new ATOM 0 HA3 GLY A 39 -11.500 -10.661 16.651 1.00 4.96 H new ATOM 644 N ASP A 40 -10.050 -8.737 15.040 1.00 4.11 N ATOM 645 CA ASP A 40 -9.518 -7.484 14.549 1.00 3.61 C ATOM 646 C ASP A 40 -10.371 -6.983 13.378 1.00 3.35 C ATOM 647 O ASP A 40 -10.300 -7.529 12.277 1.00 4.34 O ATOM 648 CB ASP A 40 -8.047 -7.659 14.137 1.00 3.67 C ATOM 649 CG ASP A 40 -7.444 -6.350 13.655 1.00 3.48 C ATOM 650 OD1 ASP A 40 -8.214 -5.465 13.243 1.00 3.31 O ATOM 651 OD2 ASP A 40 -6.202 -6.221 13.734 1.00 4.27 O ATOM 0 H ASP A 40 -9.363 -9.490 15.063 1.00 4.11 H new ATOM 0 HA ASP A 40 -9.555 -6.737 15.342 1.00 3.61 H new ATOM 0 HB2 ASP A 40 -7.473 -8.035 14.984 1.00 3.67 H new ATOM 0 HB3 ASP A 40 -7.976 -8.406 13.347 1.00 3.67 H new ATOM 656 N LYS A 41 -11.167 -5.936 13.606 1.00 2.56 N ATOM 657 CA LYS A 41 -11.887 -5.265 12.539 1.00 2.43 C ATOM 658 C LYS A 41 -11.052 -4.175 11.867 1.00 1.87 C ATOM 659 O LYS A 41 -11.305 -3.901 10.690 1.00 1.88 O ATOM 660 CB LYS A 41 -13.221 -4.710 13.042 1.00 2.69 C ATOM 661 CG LYS A 41 -14.253 -5.838 13.187 1.00 4.19 C ATOM 662 CD LYS A 41 -15.670 -5.294 13.428 1.00 4.49 C ATOM 663 CE LYS A 41 -16.239 -4.421 12.290 1.00 4.04 C ATOM 664 NZ LYS A 41 -16.212 -5.066 10.960 1.00 5.16 N ATOM 0 H LYS A 41 -11.325 -5.537 14.531 1.00 2.56 H new ATOM 0 HA LYS A 41 -12.095 -6.015 11.776 1.00 2.43 H new ATOM 0 HB2 LYS A 41 -13.077 -4.216 14.003 1.00 2.69 H new ATOM 0 HB3 LYS A 41 -13.593 -3.956 12.348 1.00 2.69 H new ATOM 0 HG2 LYS A 41 -14.249 -6.452 12.286 1.00 4.19 H new ATOM 0 HG3 LYS A 41 -13.968 -6.486 14.016 1.00 4.19 H new ATOM 0 HD2 LYS A 41 -16.343 -6.136 13.590 1.00 4.49 H new ATOM 0 HD3 LYS A 41 -15.666 -4.708 14.347 1.00 4.49 H new ATOM 0 HE2 LYS A 41 -17.268 -4.155 12.531 1.00 4.04 H new ATOM 0 HE3 LYS A 41 -15.672 -3.491 12.242 1.00 4.04 H new ATOM 0 HZ1 LYS A 41 -16.610 -4.417 10.251 1.00 5.16 H new ATOM 0 HZ2 LYS A 41 -15.230 -5.296 10.706 1.00 5.16 H new ATOM 0 HZ3 LYS A 41 -16.777 -5.939 10.986 1.00 5.16 H new ATOM 678 N GLU A 42 -10.065 -3.568 12.547 1.00 1.61 N ATOM 679 CA GLU A 42 -9.219 -2.618 11.852 1.00 1.40 C ATOM 680 C GLU A 42 -8.528 -3.297 10.675 1.00 1.32 C ATOM 681 O GLU A 42 -8.162 -2.599 9.748 1.00 1.27 O ATOM 682 CB GLU A 42 -8.225 -1.838 12.729 1.00 1.70 C ATOM 683 CG GLU A 42 -7.292 -2.721 13.556 1.00 2.49 C ATOM 684 CD GLU A 42 -6.198 -1.913 14.202 1.00 2.90 C ATOM 685 OE1 GLU A 42 -5.389 -1.330 13.456 1.00 3.76 O ATOM 686 OE2 GLU A 42 -6.153 -1.885 15.452 1.00 3.36 O ATOM 0 H GLU A 42 -9.848 -3.716 13.533 1.00 1.61 H new ATOM 0 HA GLU A 42 -9.893 -1.842 11.489 1.00 1.40 H new ATOM 0 HB2 GLU A 42 -7.623 -1.192 12.090 1.00 1.70 H new ATOM 0 HB3 GLU A 42 -8.784 -1.189 13.403 1.00 1.70 H new ATOM 0 HG2 GLU A 42 -7.866 -3.239 14.325 1.00 2.49 H new ATOM 0 HG3 GLU A 42 -6.852 -3.486 12.917 1.00 2.49 H new ATOM 693 N ALA A 43 -8.400 -4.626 10.666 1.00 1.40 N ATOM 694 CA ALA A 43 -7.921 -5.433 9.560 1.00 1.49 C ATOM 695 C ALA A 43 -8.451 -4.921 8.225 1.00 1.27 C ATOM 696 O ALA A 43 -7.707 -4.843 7.249 1.00 1.31 O ATOM 697 CB ALA A 43 -8.355 -6.890 9.761 1.00 1.77 C ATOM 0 H ALA A 43 -8.643 -5.192 11.479 1.00 1.40 H new ATOM 0 HA ALA A 43 -6.833 -5.367 9.540 1.00 1.49 H new ATOM 0 HB1 ALA A 43 -7.994 -7.495 8.929 1.00 1.77 H new ATOM 0 HB2 ALA A 43 -7.937 -7.269 10.694 1.00 1.77 H new ATOM 0 HB3 ALA A 43 -9.443 -6.943 9.803 1.00 1.77 H new ATOM 703 N GLU A 44 -9.741 -4.578 8.181 1.00 1.12 N ATOM 704 CA GLU A 44 -10.323 -4.017 6.969 1.00 1.02 C ATOM 705 C GLU A 44 -9.631 -2.696 6.648 1.00 0.79 C ATOM 706 O GLU A 44 -9.039 -2.538 5.588 1.00 0.70 O ATOM 707 CB GLU A 44 -11.847 -3.854 7.090 1.00 1.18 C ATOM 708 CG GLU A 44 -12.453 -3.367 5.763 1.00 1.63 C ATOM 709 CD GLU A 44 -13.966 -3.293 5.789 1.00 2.16 C ATOM 710 OE1 GLU A 44 -14.581 -4.323 6.137 1.00 2.67 O ATOM 711 OE2 GLU A 44 -14.514 -2.247 5.372 1.00 3.18 O ATOM 0 H GLU A 44 -10.391 -4.679 8.961 1.00 1.12 H new ATOM 0 HA GLU A 44 -10.160 -4.709 6.143 1.00 1.02 H new ATOM 0 HB2 GLU A 44 -12.297 -4.805 7.373 1.00 1.18 H new ATOM 0 HB3 GLU A 44 -12.079 -3.143 7.883 1.00 1.18 H new ATOM 0 HG2 GLU A 44 -12.052 -2.381 5.528 1.00 1.63 H new ATOM 0 HG3 GLU A 44 -12.142 -4.037 4.962 1.00 1.63 H new ATOM 718 N ALA A 45 -9.690 -1.738 7.561 1.00 0.80 N ATOM 719 CA ALA A 45 -9.119 -0.420 7.375 1.00 0.76 C ATOM 720 C ALA A 45 -7.608 -0.468 7.129 1.00 0.67 C ATOM 721 O ALA A 45 -7.038 0.411 6.487 1.00 0.64 O ATOM 722 CB ALA A 45 -9.427 0.408 8.618 1.00 0.90 C ATOM 0 H ALA A 45 -10.145 -1.861 8.466 1.00 0.80 H new ATOM 0 HA ALA A 45 -9.562 0.032 6.487 1.00 0.76 H new ATOM 0 HB1 ALA A 45 -9.007 1.407 8.503 1.00 0.90 H new ATOM 0 HB2 ALA A 45 -10.507 0.481 8.748 1.00 0.90 H new ATOM 0 HB3 ALA A 45 -8.988 -0.072 9.493 1.00 0.90 H new ATOM 728 N LYS A 46 -6.950 -1.490 7.654 1.00 0.83 N ATOM 729 CA LYS A 46 -5.547 -1.764 7.445 1.00 0.90 C ATOM 730 C LYS A 46 -5.381 -2.165 5.985 1.00 0.80 C ATOM 731 O LYS A 46 -4.614 -1.563 5.242 1.00 0.76 O ATOM 732 CB LYS A 46 -5.077 -2.877 8.400 1.00 1.21 C ATOM 733 CG LYS A 46 -3.634 -2.650 8.859 1.00 1.20 C ATOM 734 CD LYS A 46 -3.571 -1.934 10.217 1.00 1.49 C ATOM 735 CE LYS A 46 -4.252 -0.557 10.243 1.00 2.76 C ATOM 736 NZ LYS A 46 -4.088 0.095 11.556 1.00 3.25 N ATOM 0 H LYS A 46 -7.402 -2.175 8.260 1.00 0.83 H new ATOM 0 HA LYS A 46 -4.934 -0.888 7.658 1.00 0.90 H new ATOM 0 HB2 LYS A 46 -5.735 -2.914 9.269 1.00 1.21 H new ATOM 0 HB3 LYS A 46 -5.153 -3.843 7.901 1.00 1.21 H new ATOM 0 HG2 LYS A 46 -3.120 -3.609 8.930 1.00 1.20 H new ATOM 0 HG3 LYS A 46 -3.104 -2.059 8.112 1.00 1.20 H new ATOM 0 HD2 LYS A 46 -4.036 -2.570 10.971 1.00 1.49 H new ATOM 0 HD3 LYS A 46 -2.526 -1.814 10.502 1.00 1.49 H new ATOM 0 HE2 LYS A 46 -3.827 0.076 9.464 1.00 2.76 H new ATOM 0 HE3 LYS A 46 -5.313 -0.669 10.020 1.00 2.76 H new ATOM 0 HZ1 LYS A 46 -4.720 0.919 11.616 1.00 3.25 H new ATOM 0 HZ2 LYS A 46 -4.327 -0.580 12.311 1.00 3.25 H new ATOM 0 HZ3 LYS A 46 -3.102 0.406 11.669 1.00 3.25 H new ATOM 750 N PHE A 47 -6.153 -3.157 5.546 1.00 0.84 N ATOM 751 CA PHE A 47 -6.216 -3.482 4.137 1.00 0.83 C ATOM 752 C PHE A 47 -6.514 -2.222 3.325 1.00 0.66 C ATOM 753 O PHE A 47 -5.945 -2.063 2.254 1.00 0.69 O ATOM 754 CB PHE A 47 -7.252 -4.589 3.892 1.00 1.00 C ATOM 755 CG PHE A 47 -7.808 -4.648 2.483 1.00 1.51 C ATOM 756 CD1 PHE A 47 -7.003 -5.082 1.414 1.00 1.91 C ATOM 757 CD2 PHE A 47 -9.138 -4.251 2.244 1.00 3.12 C ATOM 758 CE1 PHE A 47 -7.542 -5.161 0.117 1.00 2.35 C ATOM 759 CE2 PHE A 47 -9.672 -4.325 0.948 1.00 3.87 C ATOM 760 CZ PHE A 47 -8.877 -4.786 -0.113 1.00 3.07 C ATOM 0 H PHE A 47 -6.736 -3.741 6.146 1.00 0.84 H new ATOM 0 HA PHE A 47 -5.251 -3.866 3.807 1.00 0.83 H new ATOM 0 HB2 PHE A 47 -6.796 -5.551 4.127 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -8.080 -4.451 4.587 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -5.973 -5.354 1.589 1.00 1.91 H new ATOM 0 HD2 PHE A 47 -9.748 -3.889 3.059 1.00 3.12 H new ATOM 0 HE1 PHE A 47 -6.930 -5.510 -0.702 1.00 2.35 H new ATOM 0 HE2 PHE A 47 -10.694 -4.027 0.767 1.00 3.87 H new ATOM 0 HZ PHE A 47 -9.292 -4.853 -1.108 1.00 3.07 H new ATOM 770 N LYS A 48 -7.354 -1.311 3.822 1.00 0.58 N ATOM 771 CA LYS A 48 -7.662 -0.096 3.097 1.00 0.60 C ATOM 772 C LYS A 48 -6.433 0.787 2.997 1.00 0.57 C ATOM 773 O LYS A 48 -6.143 1.257 1.908 1.00 0.69 O ATOM 774 CB LYS A 48 -8.847 0.675 3.683 1.00 0.71 C ATOM 775 CG LYS A 48 -10.113 -0.148 3.468 1.00 0.82 C ATOM 776 CD LYS A 48 -11.337 0.506 4.107 1.00 0.98 C ATOM 777 CE LYS A 48 -12.613 -0.115 3.535 1.00 1.46 C ATOM 778 NZ LYS A 48 -13.776 0.145 4.397 1.00 2.13 N ATOM 0 H LYS A 48 -7.827 -1.400 4.721 1.00 0.58 H new ATOM 0 HA LYS A 48 -7.967 -0.399 2.095 1.00 0.60 H new ATOM 0 HB2 LYS A 48 -8.691 0.859 4.746 1.00 0.71 H new ATOM 0 HB3 LYS A 48 -8.941 1.648 3.201 1.00 0.71 H new ATOM 0 HG2 LYS A 48 -10.286 -0.274 2.399 1.00 0.82 H new ATOM 0 HG3 LYS A 48 -9.973 -1.144 3.888 1.00 0.82 H new ATOM 0 HD2 LYS A 48 -11.309 0.372 5.188 1.00 0.98 H new ATOM 0 HD3 LYS A 48 -11.328 1.579 3.918 1.00 0.98 H new ATOM 0 HE2 LYS A 48 -12.800 0.288 2.540 1.00 1.46 H new ATOM 0 HE3 LYS A 48 -12.476 -1.191 3.423 1.00 1.46 H new ATOM 0 HZ1 LYS A 48 -14.616 0.307 3.806 1.00 2.13 H new ATOM 0 HZ2 LYS A 48 -13.940 -0.675 5.015 1.00 2.13 H new ATOM 0 HZ3 LYS A 48 -13.595 0.987 4.980 1.00 2.13 H new ATOM 792 N GLU A 49 -5.697 1.028 4.084 1.00 0.55 N ATOM 793 CA GLU A 49 -4.570 1.933 4.001 1.00 0.59 C ATOM 794 C GLU A 49 -3.534 1.367 3.033 1.00 0.51 C ATOM 795 O GLU A 49 -3.009 2.077 2.171 1.00 0.63 O ATOM 796 CB GLU A 49 -4.024 2.264 5.406 1.00 0.69 C ATOM 797 CG GLU A 49 -3.141 1.213 6.091 1.00 2.07 C ATOM 798 CD GLU A 49 -2.406 1.704 7.323 1.00 2.22 C ATOM 799 OE1 GLU A 49 -2.931 2.594 8.024 1.00 1.79 O ATOM 800 OE2 GLU A 49 -1.302 1.183 7.587 1.00 3.56 O ATOM 0 H GLU A 49 -5.861 0.618 5.003 1.00 0.55 H new ATOM 0 HA GLU A 49 -4.882 2.893 3.591 1.00 0.59 H new ATOM 0 HB2 GLU A 49 -3.451 3.189 5.335 1.00 0.69 H new ATOM 0 HB3 GLU A 49 -4.874 2.465 6.058 1.00 0.69 H new ATOM 0 HG2 GLU A 49 -3.763 0.363 6.371 1.00 2.07 H new ATOM 0 HG3 GLU A 49 -2.409 0.848 5.370 1.00 2.07 H new ATOM 807 N ILE A 50 -3.269 0.068 3.166 1.00 0.40 N ATOM 808 CA ILE A 50 -2.231 -0.592 2.406 1.00 0.42 C ATOM 809 C ILE A 50 -2.687 -0.701 0.947 1.00 0.50 C ATOM 810 O ILE A 50 -1.884 -0.518 0.036 1.00 0.56 O ATOM 811 CB ILE A 50 -1.870 -1.950 3.042 1.00 0.43 C ATOM 812 CG1 ILE A 50 -1.605 -1.870 4.560 1.00 0.44 C ATOM 813 CG2 ILE A 50 -0.588 -2.494 2.397 1.00 0.69 C ATOM 814 CD1 ILE A 50 -1.847 -3.231 5.205 1.00 0.57 C ATOM 0 H ILE A 50 -3.772 -0.548 3.805 1.00 0.40 H new ATOM 0 HA ILE A 50 -1.310 -0.009 2.423 1.00 0.42 H new ATOM 0 HB ILE A 50 -2.733 -2.595 2.873 1.00 0.43 H new ATOM 0 HG12 ILE A 50 -0.579 -1.550 4.742 1.00 0.44 H new ATOM 0 HG13 ILE A 50 -2.257 -1.123 5.012 1.00 0.44 H new ATOM 0 HG21 ILE A 50 -0.333 -3.454 2.847 1.00 0.69 H new ATOM 0 HG22 ILE A 50 -0.747 -2.626 1.327 1.00 0.69 H new ATOM 0 HG23 ILE A 50 0.228 -1.790 2.559 1.00 0.69 H new ATOM 0 HD11 ILE A 50 -1.657 -3.165 6.276 1.00 0.57 H new ATOM 0 HD12 ILE A 50 -2.880 -3.534 5.037 1.00 0.57 H new ATOM 0 HD13 ILE A 50 -1.176 -3.968 4.763 1.00 0.57 H new ATOM 826 N LYS A 51 -3.963 -1.005 0.693 1.00 0.54 N ATOM 827 CA LYS A 51 -4.465 -1.126 -0.660 1.00 0.68 C ATOM 828 C LYS A 51 -4.617 0.241 -1.316 1.00 0.69 C ATOM 829 O LYS A 51 -4.355 0.339 -2.506 1.00 0.78 O ATOM 830 CB LYS A 51 -5.762 -1.940 -0.708 1.00 0.90 C ATOM 831 CG LYS A 51 -6.297 -2.181 -2.133 1.00 1.21 C ATOM 832 CD LYS A 51 -5.304 -2.784 -3.138 1.00 3.13 C ATOM 833 CE LYS A 51 -5.791 -2.671 -4.590 1.00 3.63 C ATOM 834 NZ LYS A 51 -6.887 -3.599 -4.921 1.00 3.74 N ATOM 0 H LYS A 51 -4.662 -1.171 1.417 1.00 0.54 H new ATOM 0 HA LYS A 51 -3.727 -1.679 -1.241 1.00 0.68 H new ATOM 0 HB2 LYS A 51 -5.593 -2.903 -0.227 1.00 0.90 H new ATOM 0 HB3 LYS A 51 -6.525 -1.423 -0.127 1.00 0.90 H new ATOM 0 HG2 LYS A 51 -7.161 -2.842 -2.067 1.00 1.21 H new ATOM 0 HG3 LYS A 51 -6.652 -1.230 -2.531 1.00 1.21 H new ATOM 0 HD2 LYS A 51 -4.343 -2.279 -3.041 1.00 3.13 H new ATOM 0 HD3 LYS A 51 -5.139 -3.834 -2.895 1.00 3.13 H new ATOM 0 HE2 LYS A 51 -6.124 -1.649 -4.774 1.00 3.63 H new ATOM 0 HE3 LYS A 51 -4.953 -2.859 -5.261 1.00 3.63 H new ATOM 0 HZ1 LYS A 51 -7.165 -3.468 -5.915 1.00 3.74 H new ATOM 0 HZ2 LYS A 51 -6.568 -4.578 -4.777 1.00 3.74 H new ATOM 0 HZ3 LYS A 51 -7.703 -3.407 -4.305 1.00 3.74 H new ATOM 848 N GLU A 52 -5.021 1.277 -0.579 1.00 0.70 N ATOM 849 CA GLU A 52 -5.035 2.645 -1.075 1.00 0.81 C ATOM 850 C GLU A 52 -3.618 2.950 -1.542 1.00 0.74 C ATOM 851 O GLU A 52 -3.393 3.284 -2.697 1.00 0.76 O ATOM 852 CB GLU A 52 -5.502 3.593 0.037 1.00 0.94 C ATOM 853 CG GLU A 52 -5.580 5.067 -0.394 1.00 1.24 C ATOM 854 CD GLU A 52 -6.786 5.434 -1.235 1.00 1.52 C ATOM 855 OE1 GLU A 52 -7.751 4.643 -1.293 1.00 2.71 O ATOM 856 OE2 GLU A 52 -6.776 6.545 -1.810 1.00 2.20 O ATOM 0 H GLU A 52 -5.348 1.185 0.383 1.00 0.70 H new ATOM 0 HA GLU A 52 -5.730 2.778 -1.904 1.00 0.81 H new ATOM 0 HB2 GLU A 52 -6.484 3.274 0.385 1.00 0.94 H new ATOM 0 HB3 GLU A 52 -4.821 3.508 0.884 1.00 0.94 H new ATOM 0 HG2 GLU A 52 -5.578 5.690 0.500 1.00 1.24 H new ATOM 0 HG3 GLU A 52 -4.678 5.312 -0.955 1.00 1.24 H new ATOM 863 N ALA A 53 -2.646 2.769 -0.652 1.00 0.69 N ATOM 864 CA ALA A 53 -1.253 2.975 -0.990 1.00 0.72 C ATOM 865 C ALA A 53 -0.855 2.181 -2.237 1.00 0.70 C ATOM 866 O ALA A 53 -0.253 2.728 -3.147 1.00 0.79 O ATOM 867 CB ALA A 53 -0.388 2.627 0.214 1.00 0.78 C ATOM 0 H ALA A 53 -2.806 2.478 0.313 1.00 0.69 H new ATOM 0 HA ALA A 53 -1.095 4.025 -1.237 1.00 0.72 H new ATOM 0 HB1 ALA A 53 0.662 2.781 -0.036 1.00 0.78 H new ATOM 0 HB2 ALA A 53 -0.659 3.267 1.054 1.00 0.78 H new ATOM 0 HB3 ALA A 53 -0.547 1.584 0.487 1.00 0.78 H new ATOM 873 N TYR A 54 -1.185 0.897 -2.311 1.00 0.67 N ATOM 874 CA TYR A 54 -0.845 0.075 -3.465 1.00 0.75 C ATOM 875 C TYR A 54 -1.541 0.582 -4.744 1.00 0.81 C ATOM 876 O TYR A 54 -0.943 0.620 -5.822 1.00 1.00 O ATOM 877 CB TYR A 54 -1.193 -1.378 -3.115 1.00 0.81 C ATOM 878 CG TYR A 54 -1.027 -2.415 -4.205 1.00 0.78 C ATOM 879 CD1 TYR A 54 0.021 -2.334 -5.141 1.00 1.93 C ATOM 880 CD2 TYR A 54 -1.946 -3.477 -4.285 1.00 1.77 C ATOM 881 CE1 TYR A 54 0.059 -3.233 -6.219 1.00 2.03 C ATOM 882 CE2 TYR A 54 -1.949 -4.319 -5.404 1.00 1.92 C ATOM 883 CZ TYR A 54 -1.013 -4.114 -6.424 1.00 1.26 C ATOM 884 OH TYR A 54 -1.020 -4.957 -7.492 1.00 1.67 O ATOM 0 H TYR A 54 -1.692 0.400 -1.579 1.00 0.67 H new ATOM 0 HA TYR A 54 0.220 0.138 -3.688 1.00 0.75 H new ATOM 0 HB2 TYR A 54 -0.576 -1.678 -2.268 1.00 0.81 H new ATOM 0 HB3 TYR A 54 -2.230 -1.405 -2.779 1.00 0.81 H new ATOM 0 HD1 TYR A 54 0.791 -1.585 -5.031 1.00 1.93 H new ATOM 0 HD2 TYR A 54 -2.650 -3.643 -3.483 1.00 1.77 H new ATOM 0 HE1 TYR A 54 0.908 -3.246 -6.886 1.00 2.03 H new ATOM 0 HE2 TYR A 54 -2.669 -5.121 -5.479 1.00 1.92 H new ATOM 0 HH TYR A 54 -0.205 -4.823 -8.020 1.00 1.67 H new ATOM 894 N GLU A 55 -2.811 0.979 -4.651 1.00 0.78 N ATOM 895 CA GLU A 55 -3.569 1.547 -5.725 1.00 0.88 C ATOM 896 C GLU A 55 -2.836 2.797 -6.211 1.00 0.89 C ATOM 897 O GLU A 55 -2.663 2.988 -7.406 1.00 1.09 O ATOM 898 CB GLU A 55 -4.987 1.777 -5.201 1.00 0.97 C ATOM 899 CG GLU A 55 -5.671 2.895 -5.950 1.00 1.11 C ATOM 900 CD GLU A 55 -7.164 2.867 -5.749 1.00 1.47 C ATOM 901 OE1 GLU A 55 -7.586 2.915 -4.577 1.00 1.86 O ATOM 902 OE2 GLU A 55 -7.892 2.699 -6.748 1.00 2.40 O ATOM 0 H GLU A 55 -3.344 0.903 -3.785 1.00 0.78 H new ATOM 0 HA GLU A 55 -3.661 0.902 -6.599 1.00 0.88 H new ATOM 0 HB2 GLU A 55 -5.568 0.860 -5.301 1.00 0.97 H new ATOM 0 HB3 GLU A 55 -4.950 2.017 -4.138 1.00 0.97 H new ATOM 0 HG2 GLU A 55 -5.276 3.854 -5.614 1.00 1.11 H new ATOM 0 HG3 GLU A 55 -5.445 2.813 -7.013 1.00 1.11 H new ATOM 909 N VAL A 56 -2.337 3.604 -5.279 1.00 0.79 N ATOM 910 CA VAL A 56 -1.695 4.875 -5.566 1.00 0.84 C ATOM 911 C VAL A 56 -0.405 4.712 -6.381 1.00 0.84 C ATOM 912 O VAL A 56 0.148 5.692 -6.884 1.00 1.26 O ATOM 913 CB VAL A 56 -1.496 5.629 -4.239 1.00 0.88 C ATOM 914 CG1 VAL A 56 -0.462 6.758 -4.303 1.00 1.02 C ATOM 915 CG2 VAL A 56 -2.849 6.198 -3.806 1.00 0.97 C ATOM 0 H VAL A 56 -2.370 3.384 -4.283 1.00 0.79 H new ATOM 0 HA VAL A 56 -2.339 5.474 -6.210 1.00 0.84 H new ATOM 0 HB VAL A 56 -1.103 4.911 -3.519 1.00 0.88 H new ATOM 0 HG11 VAL A 56 -0.384 7.236 -3.327 1.00 1.02 H new ATOM 0 HG12 VAL A 56 0.508 6.348 -4.584 1.00 1.02 H new ATOM 0 HG13 VAL A 56 -0.773 7.495 -5.044 1.00 1.02 H new ATOM 0 HG21 VAL A 56 -2.733 6.738 -2.866 1.00 0.97 H new ATOM 0 HG22 VAL A 56 -3.219 6.879 -4.572 1.00 0.97 H new ATOM 0 HG23 VAL A 56 -3.560 5.383 -3.671 1.00 0.97 H new ATOM 925 N LEU A 57 0.096 3.491 -6.523 1.00 1.13 N ATOM 926 CA LEU A 57 1.330 3.195 -7.230 1.00 1.38 C ATOM 927 C LEU A 57 1.023 2.441 -8.512 1.00 1.60 C ATOM 928 O LEU A 57 1.638 2.674 -9.552 1.00 2.32 O ATOM 929 CB LEU A 57 2.242 2.435 -6.278 1.00 1.45 C ATOM 930 CG LEU A 57 2.392 3.241 -4.978 1.00 1.42 C ATOM 931 CD1 LEU A 57 3.189 2.415 -3.990 1.00 1.49 C ATOM 932 CD2 LEU A 57 3.009 4.615 -5.201 1.00 1.42 C ATOM 0 H LEU A 57 -0.357 2.662 -6.140 1.00 1.13 H new ATOM 0 HA LEU A 57 1.849 4.103 -7.537 1.00 1.38 H new ATOM 0 HB2 LEU A 57 1.827 1.450 -6.064 1.00 1.45 H new ATOM 0 HB3 LEU A 57 3.218 2.277 -6.737 1.00 1.45 H new ATOM 0 HG LEU A 57 1.400 3.440 -4.573 1.00 1.42 H new ATOM 0 HD11 LEU A 57 3.305 2.972 -3.060 1.00 1.49 H new ATOM 0 HD12 LEU A 57 2.664 1.481 -3.790 1.00 1.49 H new ATOM 0 HD13 LEU A 57 4.172 2.197 -4.408 1.00 1.49 H new ATOM 0 HD21 LEU A 57 3.089 5.137 -4.247 1.00 1.42 H new ATOM 0 HD22 LEU A 57 4.001 4.502 -5.638 1.00 1.42 H new ATOM 0 HD23 LEU A 57 2.378 5.191 -5.878 1.00 1.42 H new ATOM 944 N THR A 58 0.001 1.601 -8.474 1.00 1.75 N ATOM 945 CA THR A 58 -0.515 1.003 -9.684 1.00 2.10 C ATOM 946 C THR A 58 -1.337 2.005 -10.509 1.00 2.56 C ATOM 947 O THR A 58 -1.622 1.730 -11.675 1.00 2.66 O ATOM 948 CB THR A 58 -1.251 -0.288 -9.315 1.00 2.17 C ATOM 949 OG1 THR A 58 -2.248 -0.085 -8.332 1.00 2.41 O ATOM 950 CG2 THR A 58 -0.242 -1.283 -8.739 1.00 1.90 C ATOM 0 H THR A 58 -0.482 1.322 -7.620 1.00 1.75 H new ATOM 0 HA THR A 58 0.300 0.727 -10.354 1.00 2.10 H new ATOM 0 HB THR A 58 -1.728 -0.656 -10.224 1.00 2.17 H new ATOM 0 HG1 THR A 58 -1.826 0.010 -7.453 1.00 2.41 H new ATOM 0 HG21 THR A 58 -0.754 -2.207 -8.472 1.00 1.90 H new ATOM 0 HG22 THR A 58 0.525 -1.495 -9.484 1.00 1.90 H new ATOM 0 HG23 THR A 58 0.223 -0.856 -7.850 1.00 1.90 H new ATOM 958 N ASP A 59 -1.718 3.156 -9.944 1.00 3.07 N ATOM 959 CA ASP A 59 -2.683 4.092 -10.525 1.00 3.90 C ATOM 960 C ASP A 59 -2.587 5.374 -9.699 1.00 4.24 C ATOM 961 O ASP A 59 -1.740 5.433 -8.815 1.00 4.52 O ATOM 962 CB ASP A 59 -4.099 3.489 -10.445 1.00 5.32 C ATOM 963 CG ASP A 59 -5.075 4.087 -11.433 1.00 6.03 C ATOM 964 OD1 ASP A 59 -4.985 5.287 -11.763 1.00 5.86 O ATOM 965 OD2 ASP A 59 -5.942 3.335 -11.920 1.00 7.16 O ATOM 0 H ASP A 59 -1.352 3.470 -9.045 1.00 3.07 H new ATOM 0 HA ASP A 59 -2.474 4.295 -11.575 1.00 3.90 H new ATOM 0 HB2 ASP A 59 -4.036 2.414 -10.616 1.00 5.32 H new ATOM 0 HB3 ASP A 59 -4.487 3.629 -9.436 1.00 5.32 H new ATOM 970 N SER A 60 -3.418 6.388 -9.914 1.00 5.00 N ATOM 971 CA SER A 60 -3.469 7.559 -9.077 1.00 6.06 C ATOM 972 C SER A 60 -2.328 8.512 -9.374 1.00 4.77 C ATOM 973 O SER A 60 -1.151 8.262 -9.118 1.00 4.75 O ATOM 974 CB SER A 60 -3.585 7.300 -7.584 1.00 7.66 C ATOM 975 OG SER A 60 -4.174 8.435 -6.973 1.00 9.14 O ATOM 0 H SER A 60 -4.081 6.410 -10.689 1.00 5.00 H new ATOM 0 HA SER A 60 -4.413 8.030 -9.350 1.00 6.06 H new ATOM 0 HB2 SER A 60 -4.192 6.413 -7.400 1.00 7.66 H new ATOM 0 HB3 SER A 60 -2.601 7.108 -7.156 1.00 7.66 H new ATOM 0 HG SER A 60 -5.080 8.212 -6.673 1.00 9.14 H new ATOM 981 N GLN A 61 -2.729 9.679 -9.834 1.00 4.25 N ATOM 982 CA GLN A 61 -1.904 10.850 -9.827 1.00 3.70 C ATOM 983 C GLN A 61 -1.348 11.126 -8.430 1.00 3.20 C ATOM 984 O GLN A 61 -0.359 11.834 -8.311 1.00 3.17 O ATOM 985 CB GLN A 61 -2.788 12.006 -10.279 1.00 4.45 C ATOM 986 CG GLN A 61 -1.970 13.287 -10.248 1.00 4.39 C ATOM 987 CD GLN A 61 -2.140 14.141 -8.989 1.00 6.01 C ATOM 988 OE1 GLN A 61 -2.903 13.824 -8.078 1.00 6.76 O ATOM 989 NE2 GLN A 61 -1.418 15.245 -8.895 1.00 7.23 N ATOM 0 H GLN A 61 -3.657 9.834 -10.229 1.00 4.25 H new ATOM 0 HA GLN A 61 -1.048 10.719 -10.489 1.00 3.70 H new ATOM 0 HB2 GLN A 61 -3.165 11.823 -11.285 1.00 4.45 H new ATOM 0 HB3 GLN A 61 -3.656 12.096 -9.625 1.00 4.45 H new ATOM 0 HG2 GLN A 61 -0.916 13.028 -10.352 1.00 4.39 H new ATOM 0 HG3 GLN A 61 -2.237 13.891 -11.115 1.00 4.39 H new ATOM 0 HE21 GLN A 61 -0.786 15.507 -9.651 1.00 7.23 H new ATOM 0 HE22 GLN A 61 -1.494 15.835 -8.066 1.00 7.23 H new ATOM 998 N LYS A 62 -1.921 10.566 -7.364 1.00 3.13 N ATOM 999 CA LYS A 62 -1.252 10.614 -6.063 1.00 2.78 C ATOM 1000 C LYS A 62 0.231 10.179 -6.127 1.00 1.97 C ATOM 1001 O LYS A 62 0.996 10.565 -5.248 1.00 2.43 O ATOM 1002 CB LYS A 62 -2.017 9.783 -5.029 1.00 3.27 C ATOM 1003 CG LYS A 62 -3.335 10.425 -4.574 1.00 4.21 C ATOM 1004 CD LYS A 62 -4.156 9.372 -3.814 1.00 4.47 C ATOM 1005 CE LYS A 62 -5.267 10.004 -2.970 1.00 5.61 C ATOM 1006 NZ LYS A 62 -6.324 9.038 -2.599 1.00 5.94 N ATOM 0 H LYS A 62 -2.821 10.087 -7.372 1.00 3.13 H new ATOM 0 HA LYS A 62 -1.255 11.659 -5.752 1.00 2.78 H new ATOM 0 HB2 LYS A 62 -2.228 8.800 -5.450 1.00 3.27 H new ATOM 0 HB3 LYS A 62 -1.380 9.626 -4.159 1.00 3.27 H new ATOM 0 HG2 LYS A 62 -3.136 11.284 -3.933 1.00 4.21 H new ATOM 0 HG3 LYS A 62 -3.894 10.792 -5.435 1.00 4.21 H new ATOM 0 HD2 LYS A 62 -4.596 8.673 -4.526 1.00 4.47 H new ATOM 0 HD3 LYS A 62 -3.495 8.795 -3.168 1.00 4.47 H new ATOM 0 HE2 LYS A 62 -4.833 10.427 -2.064 1.00 5.61 H new ATOM 0 HE3 LYS A 62 -5.714 10.829 -3.525 1.00 5.61 H new ATOM 0 HZ1 LYS A 62 -6.884 9.422 -1.811 1.00 5.94 H new ATOM 0 HZ2 LYS A 62 -6.945 8.872 -3.417 1.00 5.94 H new ATOM 0 HZ3 LYS A 62 -5.887 8.140 -2.308 1.00 5.94 H new ATOM 1020 N ARG A 63 0.666 9.422 -7.145 1.00 1.36 N ATOM 1021 CA ARG A 63 2.100 9.176 -7.325 1.00 1.12 C ATOM 1022 C ARG A 63 2.706 10.414 -7.957 1.00 1.37 C ATOM 1023 O ARG A 63 3.578 11.041 -7.365 1.00 2.05 O ATOM 1024 CB ARG A 63 2.410 7.942 -8.181 1.00 1.61 C ATOM 1025 CG ARG A 63 3.927 7.850 -8.474 1.00 2.41 C ATOM 1026 CD ARG A 63 4.572 6.584 -7.917 1.00 2.39 C ATOM 1027 NE ARG A 63 4.197 5.419 -8.720 1.00 3.59 N ATOM 1028 CZ ARG A 63 4.685 4.176 -8.616 1.00 4.38 C ATOM 1029 NH1 ARG A 63 5.546 3.827 -7.657 1.00 4.62 N ATOM 1030 NH2 ARG A 63 4.283 3.289 -9.507 1.00 5.73 N ATOM 0 H ARG A 63 0.062 8.981 -7.838 1.00 1.36 H new ATOM 0 HA ARG A 63 2.532 8.970 -6.346 1.00 1.12 H new ATOM 0 HB2 ARG A 63 2.079 7.041 -7.664 1.00 1.61 H new ATOM 0 HB3 ARG A 63 1.856 7.994 -9.118 1.00 1.61 H new ATOM 0 HG2 ARG A 63 4.085 7.886 -9.552 1.00 2.41 H new ATOM 0 HG3 ARG A 63 4.426 8.721 -8.049 1.00 2.41 H new ATOM 0 HD2 ARG A 63 5.656 6.694 -7.911 1.00 2.39 H new ATOM 0 HD3 ARG A 63 4.261 6.435 -6.883 1.00 2.39 H new ATOM 0 HE ARG A 63 3.487 5.570 -9.437 1.00 3.59 H new ATOM 0 HH11 ARG A 63 5.853 4.517 -6.972 1.00 4.62 H new ATOM 0 HH12 ARG A 63 5.896 2.870 -7.610 1.00 4.62 H new ATOM 0 HH21 ARG A 63 3.626 3.562 -10.238 1.00 5.73 H new ATOM 0 HH22 ARG A 63 4.630 2.331 -9.465 1.00 5.73 H new ATOM 1044 N ALA A 64 2.261 10.747 -9.169 1.00 1.63 N ATOM 1045 CA ALA A 64 2.861 11.804 -9.970 1.00 1.97 C ATOM 1046 C ALA A 64 2.928 13.109 -9.183 1.00 1.42 C ATOM 1047 O ALA A 64 3.841 13.908 -9.374 1.00 1.55 O ATOM 1048 CB ALA A 64 2.083 11.971 -11.278 1.00 2.89 C ATOM 0 H ALA A 64 1.471 10.287 -9.621 1.00 1.63 H new ATOM 0 HA ALA A 64 3.885 11.525 -10.218 1.00 1.97 H new ATOM 0 HB1 ALA A 64 2.537 12.764 -11.873 1.00 2.89 H new ATOM 0 HB2 ALA A 64 2.109 11.037 -11.839 1.00 2.89 H new ATOM 0 HB3 ALA A 64 1.048 12.232 -11.055 1.00 2.89 H new ATOM 1054 N ALA A 65 1.993 13.304 -8.261 1.00 1.40 N ATOM 1055 CA ALA A 65 1.981 14.388 -7.310 1.00 1.68 C ATOM 1056 C ALA A 65 3.288 14.433 -6.531 1.00 1.60 C ATOM 1057 O ALA A 65 3.999 15.443 -6.510 1.00 1.81 O ATOM 1058 CB ALA A 65 0.813 14.174 -6.339 1.00 2.59 C ATOM 0 H ALA A 65 1.193 12.680 -8.159 1.00 1.40 H new ATOM 0 HA ALA A 65 1.865 15.332 -7.842 1.00 1.68 H new ATOM 0 HB1 ALA A 65 0.790 14.986 -5.613 1.00 2.59 H new ATOM 0 HB2 ALA A 65 -0.124 14.158 -6.895 1.00 2.59 H new ATOM 0 HB3 ALA A 65 0.942 13.225 -5.818 1.00 2.59 H new ATOM 1064 N TYR A 66 3.588 13.328 -5.857 1.00 1.82 N ATOM 1065 CA TYR A 66 4.779 13.228 -5.053 1.00 2.57 C ATOM 1066 C TYR A 66 5.992 13.320 -5.978 1.00 2.72 C ATOM 1067 O TYR A 66 6.924 14.077 -5.714 1.00 3.45 O ATOM 1068 CB TYR A 66 4.776 11.919 -4.240 1.00 2.90 C ATOM 1069 CG TYR A 66 6.000 11.761 -3.359 1.00 4.18 C ATOM 1070 CD1 TYR A 66 7.227 11.385 -3.940 1.00 6.07 C ATOM 1071 CD2 TYR A 66 5.987 12.287 -2.054 1.00 4.19 C ATOM 1072 CE1 TYR A 66 8.431 11.795 -3.346 1.00 7.36 C ATOM 1073 CE2 TYR A 66 7.195 12.671 -1.446 1.00 5.40 C ATOM 1074 CZ TYR A 66 8.403 12.522 -2.145 1.00 6.82 C ATOM 1075 OH TYR A 66 9.521 13.151 -1.692 1.00 8.14 O ATOM 0 H TYR A 66 3.011 12.487 -5.859 1.00 1.82 H new ATOM 0 HA TYR A 66 4.819 14.044 -4.332 1.00 2.57 H new ATOM 0 HB2 TYR A 66 3.882 11.887 -3.618 1.00 2.90 H new ATOM 0 HB3 TYR A 66 4.718 11.073 -4.925 1.00 2.90 H new ATOM 0 HD1 TYR A 66 7.241 10.785 -4.838 1.00 6.07 H new ATOM 0 HD2 TYR A 66 5.053 12.395 -1.522 1.00 4.19 H new ATOM 0 HE1 TYR A 66 9.375 11.552 -3.811 1.00 7.36 H new ATOM 0 HE2 TYR A 66 7.194 13.079 -0.446 1.00 5.40 H new ATOM 0 HH TYR A 66 9.321 13.607 -0.848 1.00 8.14 H new