USER MOD reduce.3.24.130724 H: found=0, std=0, add=503, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 503 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 14 THR OG1 : rot 180:sc= -0.0477 USER MOD Set 1.2: A 17 MET CE :methyl -165:sc= -2.96 (180deg=-3.48) USER MOD Single : A 13 CYS SG : rot -41:sc= 0.415 USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.186 USER MOD Single : A 27 SER OG : rot -76:sc= 0.549 USER MOD Single : A 28 GLN : amide:sc= 0.153 X(o=0.15,f=0) USER MOD Single : A 29 TYR OH : rot 31:sc= 0.0594 USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 9:sc= -0.319 USER MOD Single : A 59 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 HIS : no HD1:sc= -2.11! K(o=-2.1!,f=-0.69) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -5.460 6.605 0.711 1.00 0.00 N ATOM 60 CA GLY A 7 -4.475 5.543 0.803 1.00 0.00 C ATOM 61 C GLY A 7 -4.852 4.490 1.827 1.00 0.00 C ATOM 62 O GLY A 7 -5.498 4.793 2.830 1.00 0.00 O ATOM 0 HA2 GLY A 7 -4.361 5.072 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.507 5.971 1.065 1.00 0.00 H new ATOM 66 N VAL A 8 -4.449 3.249 1.574 1.00 0.00 N ATOM 67 CA VAL A 8 -4.749 2.147 2.480 1.00 0.00 C ATOM 68 C VAL A 8 -3.484 1.382 2.852 1.00 0.00 C ATOM 69 O VAL A 8 -2.537 1.310 2.068 1.00 0.00 O ATOM 70 CB VAL A 8 -5.765 1.169 1.859 1.00 0.00 C ATOM 71 CG1 VAL A 8 -7.145 1.805 1.792 1.00 0.00 C ATOM 72 CG2 VAL A 8 -5.304 0.729 0.479 1.00 0.00 C ATOM 0 H VAL A 8 -3.913 2.982 0.748 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.182 2.585 3.379 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.829 0.286 2.494 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.850 1.100 1.351 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.475 2.066 2.798 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.101 2.706 1.179 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.033 0.039 0.055 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.210 1.601 -0.168 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.337 0.232 0.560 1.00 0.00 H new ATOM 82 N PHE A 9 -3.477 0.810 4.051 1.00 0.00 N ATOM 83 CA PHE A 9 -2.327 0.049 4.528 1.00 0.00 C ATOM 84 C PHE A 9 -2.554 -1.449 4.347 1.00 0.00 C ATOM 85 O PHE A 9 -3.466 -2.027 4.938 1.00 0.00 O ATOM 86 CB PHE A 9 -2.057 0.360 6.001 1.00 0.00 C ATOM 87 CG PHE A 9 -1.257 1.614 6.212 1.00 0.00 C ATOM 88 CD1 PHE A 9 0.035 1.717 5.724 1.00 0.00 C ATOM 89 CD2 PHE A 9 -1.798 2.689 6.899 1.00 0.00 C ATOM 90 CE1 PHE A 9 0.774 2.869 5.917 1.00 0.00 C ATOM 91 CE2 PHE A 9 -1.063 3.845 7.095 1.00 0.00 C ATOM 92 CZ PHE A 9 0.223 3.934 6.603 1.00 0.00 C ATOM 0 H PHE A 9 -4.254 0.858 4.710 1.00 0.00 H new ATOM 0 HA PHE A 9 -1.459 0.342 3.937 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -3.008 0.453 6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.527 -0.480 6.450 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.470 0.888 5.186 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.804 2.624 7.286 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.781 2.936 5.532 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.495 4.676 7.632 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.798 4.835 6.754 1.00 0.00 H new ATOM 102 N VAL A 10 -1.717 -2.073 3.523 1.00 0.00 N ATOM 103 CA VAL A 10 -1.824 -3.504 3.264 1.00 0.00 C ATOM 104 C VAL A 10 -1.025 -4.309 4.281 1.00 0.00 C ATOM 105 O VAL A 10 0.058 -4.810 3.979 1.00 0.00 O ATOM 106 CB VAL A 10 -1.333 -3.855 1.846 1.00 0.00 C ATOM 107 CG1 VAL A 10 -1.531 -5.337 1.566 1.00 0.00 C ATOM 108 CG2 VAL A 10 -2.052 -3.006 0.808 1.00 0.00 C ATOM 0 H VAL A 10 -0.958 -1.610 3.024 1.00 0.00 H new ATOM 0 HA VAL A 10 -2.879 -3.763 3.350 1.00 0.00 H new ATOM 0 HB VAL A 10 -0.267 -3.637 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.179 -5.568 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -0.966 -5.923 2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.590 -5.584 1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.693 -3.267 -0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.125 -3.190 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -1.854 -1.951 1.000 1.00 0.00 H new ATOM 118 N GLY A 11 -1.566 -4.430 5.490 1.00 0.00 N ATOM 119 CA GLY A 11 -0.890 -5.176 6.535 1.00 0.00 C ATOM 120 C GLY A 11 -0.621 -6.614 6.138 1.00 0.00 C ATOM 121 O GLY A 11 -0.774 -6.984 4.974 1.00 0.00 O ATOM 0 H GLY A 11 -2.461 -4.024 5.764 1.00 0.00 H new ATOM 0 HA2 GLY A 11 0.053 -4.686 6.775 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -1.497 -5.159 7.440 1.00 0.00 H new ATOM 125 N ARG A 12 -0.219 -7.428 7.109 1.00 0.00 N ATOM 126 CA ARG A 12 0.075 -8.834 6.855 1.00 0.00 C ATOM 127 C ARG A 12 0.759 -9.011 5.503 1.00 0.00 C ATOM 128 O ARG A 12 0.391 -9.886 4.719 1.00 0.00 O ATOM 129 CB ARG A 12 -1.211 -9.661 6.900 1.00 0.00 C ATOM 130 CG ARG A 12 -1.857 -9.710 8.275 1.00 0.00 C ATOM 131 CD ARG A 12 -3.186 -10.448 8.240 1.00 0.00 C ATOM 132 NE ARG A 12 -3.010 -11.897 8.293 1.00 0.00 N ATOM 133 CZ ARG A 12 -3.956 -12.765 7.954 1.00 0.00 C ATOM 134 NH1 ARG A 12 -5.139 -12.333 7.540 1.00 0.00 N ATOM 135 NH2 ARG A 12 -3.720 -14.069 8.028 1.00 0.00 N ATOM 0 H ARG A 12 -0.089 -7.138 8.078 1.00 0.00 H new ATOM 0 HA ARG A 12 0.752 -9.184 7.634 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.924 -9.247 6.188 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.990 -10.678 6.575 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.184 -10.203 8.977 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.013 -8.695 8.642 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.801 -10.127 9.081 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.725 -10.181 7.331 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.111 -12.262 8.608 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.324 -11.332 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.864 -13.002 7.280 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.811 -14.406 8.346 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.448 -14.735 7.767 1.00 0.00 H new ATOM 149 N CYS A 13 1.756 -8.173 5.237 1.00 0.00 N ATOM 150 CA CYS A 13 2.491 -8.236 3.979 1.00 0.00 C ATOM 151 C CYS A 13 3.836 -8.930 4.169 1.00 0.00 C ATOM 152 O CYS A 13 4.154 -9.405 5.260 1.00 0.00 O ATOM 153 CB CYS A 13 2.706 -6.828 3.419 1.00 0.00 C ATOM 154 SG CYS A 13 2.192 -6.633 1.697 1.00 0.00 S ATOM 0 H CYS A 13 2.073 -7.443 5.875 1.00 0.00 H new ATOM 0 HA CYS A 13 1.900 -8.816 3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.156 -6.116 4.034 1.00 0.00 H new ATOM 0 HB3 CYS A 13 3.762 -6.572 3.503 1.00 0.00 H new ATOM 0 HG CYS A 13 2.544 -7.684 1.017 1.00 0.00 H new ATOM 160 N THR A 14 4.622 -8.989 3.099 1.00 0.00 N ATOM 161 CA THR A 14 5.931 -9.630 3.147 1.00 0.00 C ATOM 162 C THR A 14 6.960 -8.837 2.348 1.00 0.00 C ATOM 163 O THR A 14 6.630 -8.207 1.345 1.00 0.00 O ATOM 164 CB THR A 14 5.873 -11.069 2.602 1.00 0.00 C ATOM 165 OG1 THR A 14 5.349 -11.068 1.269 1.00 0.00 O ATOM 166 CG2 THR A 14 5.009 -11.950 3.492 1.00 0.00 C ATOM 0 H THR A 14 4.375 -8.601 2.189 1.00 0.00 H new ATOM 0 HA THR A 14 6.231 -9.659 4.195 1.00 0.00 H new ATOM 0 HB THR A 14 6.886 -11.472 2.593 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.317 -11.987 0.929 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.983 -12.962 3.087 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.428 -11.972 4.498 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.997 -11.548 3.529 1.00 0.00 H new ATOM 174 N GLY A 15 8.210 -8.874 2.800 1.00 0.00 N ATOM 175 CA GLY A 15 9.268 -8.156 2.115 1.00 0.00 C ATOM 176 C GLY A 15 9.410 -8.575 0.666 1.00 0.00 C ATOM 177 O GLY A 15 9.473 -7.731 -0.228 1.00 0.00 O ATOM 0 H GLY A 15 8.508 -9.389 3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.066 -7.086 2.162 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.212 -8.325 2.633 1.00 0.00 H new ATOM 181 N ASP A 16 9.461 -9.883 0.431 1.00 0.00 N ATOM 182 CA ASP A 16 9.596 -10.412 -0.920 1.00 0.00 C ATOM 183 C ASP A 16 8.775 -9.592 -1.911 1.00 0.00 C ATOM 184 O ASP A 16 9.300 -9.103 -2.911 1.00 0.00 O ATOM 185 CB ASP A 16 9.155 -11.876 -0.963 1.00 0.00 C ATOM 186 CG ASP A 16 10.327 -12.836 -0.896 1.00 0.00 C ATOM 187 OD1 ASP A 16 11.165 -12.814 -1.820 1.00 0.00 O ATOM 188 OD2 ASP A 16 10.404 -13.608 0.083 1.00 0.00 O ATOM 0 H ASP A 16 9.411 -10.595 1.160 1.00 0.00 H new ATOM 0 HA ASP A 16 10.646 -10.347 -1.205 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.479 -12.073 -0.131 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.593 -12.056 -1.879 1.00 0.00 H new ATOM 193 N MET A 17 7.486 -9.445 -1.625 1.00 0.00 N ATOM 194 CA MET A 17 6.593 -8.684 -2.491 1.00 0.00 C ATOM 195 C MET A 17 7.238 -7.367 -2.912 1.00 0.00 C ATOM 196 O MET A 17 7.959 -6.739 -2.136 1.00 0.00 O ATOM 197 CB MET A 17 5.268 -8.410 -1.778 1.00 0.00 C ATOM 198 CG MET A 17 4.378 -9.637 -1.658 1.00 0.00 C ATOM 199 SD MET A 17 2.809 -9.280 -0.844 1.00 0.00 S ATOM 200 CE MET A 17 2.208 -10.937 -0.527 1.00 0.00 C ATOM 0 H MET A 17 7.036 -9.843 -0.800 1.00 0.00 H new ATOM 0 HA MET A 17 6.401 -9.277 -3.385 1.00 0.00 H new ATOM 0 HB2 MET A 17 5.475 -8.022 -0.781 1.00 0.00 H new ATOM 0 HB3 MET A 17 4.729 -7.631 -2.317 1.00 0.00 H new ATOM 0 HG2 MET A 17 4.184 -10.039 -2.652 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.905 -10.410 -1.099 1.00 0.00 H new ATOM 0 HE1 MET A 17 1.148 -10.898 -0.276 1.00 0.00 H new ATOM 0 HE2 MET A 17 2.348 -11.551 -1.417 1.00 0.00 H new ATOM 0 HE3 MET A 17 2.762 -11.372 0.305 1.00 0.00 H new ATOM 210 N THR A 18 6.974 -6.954 -4.149 1.00 0.00 N ATOM 211 CA THR A 18 7.530 -5.713 -4.674 1.00 0.00 C ATOM 212 C THR A 18 6.425 -4.754 -5.102 1.00 0.00 C ATOM 213 O THR A 18 5.371 -5.179 -5.574 1.00 0.00 O ATOM 214 CB THR A 18 8.459 -5.977 -5.874 1.00 0.00 C ATOM 215 OG1 THR A 18 7.803 -6.826 -6.822 1.00 0.00 O ATOM 216 CG2 THR A 18 9.758 -6.624 -5.420 1.00 0.00 C ATOM 0 H THR A 18 6.379 -7.461 -4.805 1.00 0.00 H new ATOM 0 HA THR A 18 8.109 -5.260 -3.869 1.00 0.00 H new ATOM 0 HB THR A 18 8.693 -5.021 -6.343 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.399 -6.988 -7.583 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.398 -6.801 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.269 -5.963 -4.720 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.540 -7.573 -4.930 1.00 0.00 H new ATOM 224 N GLU A 19 6.674 -3.459 -4.934 1.00 0.00 N ATOM 225 CA GLU A 19 5.699 -2.439 -5.304 1.00 0.00 C ATOM 226 C GLU A 19 5.026 -2.787 -6.629 1.00 0.00 C ATOM 227 O GLU A 19 3.838 -2.525 -6.822 1.00 0.00 O ATOM 228 CB GLU A 19 6.373 -1.070 -5.405 1.00 0.00 C ATOM 229 CG GLU A 19 6.871 -0.537 -4.072 1.00 0.00 C ATOM 230 CD GLU A 19 8.327 -0.117 -4.120 1.00 0.00 C ATOM 231 OE1 GLU A 19 9.130 -0.829 -4.758 1.00 0.00 O ATOM 232 OE2 GLU A 19 8.663 0.924 -3.517 1.00 0.00 O ATOM 0 H GLU A 19 7.542 -3.091 -4.544 1.00 0.00 H new ATOM 0 HA GLU A 19 4.936 -2.402 -4.527 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.213 -1.138 -6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.667 -0.357 -5.831 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.260 0.315 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 19 6.743 -1.303 -3.308 1.00 0.00 H new ATOM 239 N ASP A 20 5.793 -3.376 -7.539 1.00 0.00 N ATOM 240 CA ASP A 20 5.272 -3.759 -8.846 1.00 0.00 C ATOM 241 C ASP A 20 4.212 -4.847 -8.711 1.00 0.00 C ATOM 242 O ASP A 20 3.147 -4.769 -9.325 1.00 0.00 O ATOM 243 CB ASP A 20 6.408 -4.246 -9.749 1.00 0.00 C ATOM 244 CG ASP A 20 7.377 -3.138 -10.108 1.00 0.00 C ATOM 245 OD1 ASP A 20 7.987 -2.560 -9.184 1.00 0.00 O ATOM 246 OD2 ASP A 20 7.525 -2.846 -11.314 1.00 0.00 O ATOM 0 H ASP A 20 6.778 -3.599 -7.396 1.00 0.00 H new ATOM 0 HA ASP A 20 4.810 -2.881 -9.297 1.00 0.00 H new ATOM 0 HB2 ASP A 20 6.948 -5.049 -9.247 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.987 -4.667 -10.662 1.00 0.00 H new ATOM 251 N GLU A 21 4.510 -5.860 -7.903 1.00 0.00 N ATOM 252 CA GLU A 21 3.581 -6.965 -7.689 1.00 0.00 C ATOM 253 C GLU A 21 2.213 -6.448 -7.256 1.00 0.00 C ATOM 254 O GLU A 21 1.215 -6.637 -7.953 1.00 0.00 O ATOM 255 CB GLU A 21 4.133 -7.926 -6.636 1.00 0.00 C ATOM 256 CG GLU A 21 5.400 -8.645 -7.071 1.00 0.00 C ATOM 257 CD GLU A 21 5.121 -10.018 -7.650 1.00 0.00 C ATOM 258 OE1 GLU A 21 4.277 -10.742 -7.080 1.00 0.00 O ATOM 259 OE2 GLU A 21 5.748 -10.369 -8.671 1.00 0.00 O ATOM 0 H GLU A 21 5.386 -5.939 -7.386 1.00 0.00 H new ATOM 0 HA GLU A 21 3.466 -7.499 -8.632 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.337 -7.370 -5.721 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.370 -8.666 -6.396 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.920 -8.040 -7.814 1.00 0.00 H new ATOM 0 HG3 GLU A 21 6.069 -8.744 -6.216 1.00 0.00 H new ATOM 266 N LEU A 22 2.172 -5.796 -6.099 1.00 0.00 N ATOM 267 CA LEU A 22 0.926 -5.252 -5.570 1.00 0.00 C ATOM 268 C LEU A 22 0.313 -4.250 -6.543 1.00 0.00 C ATOM 269 O LEU A 22 -0.891 -4.275 -6.798 1.00 0.00 O ATOM 270 CB LEU A 22 1.173 -4.582 -4.217 1.00 0.00 C ATOM 271 CG LEU A 22 1.811 -5.459 -3.140 1.00 0.00 C ATOM 272 CD1 LEU A 22 2.524 -4.601 -2.107 1.00 0.00 C ATOM 273 CD2 LEU A 22 0.761 -6.337 -2.476 1.00 0.00 C ATOM 0 H LEU A 22 2.988 -5.631 -5.509 1.00 0.00 H new ATOM 0 HA LEU A 22 0.225 -6.076 -5.437 1.00 0.00 H new ATOM 0 HB2 LEU A 22 1.812 -3.714 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.220 -4.212 -3.838 1.00 0.00 H new ATOM 0 HG LEU A 22 2.548 -6.107 -3.615 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.972 -5.242 -1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 22 3.304 -4.017 -2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.808 -3.928 -1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 22 1.233 -6.955 -1.712 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.000 -5.708 -2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.297 -6.978 -3.225 1.00 0.00 H new ATOM 285 N ARG A 23 1.151 -3.370 -7.084 1.00 0.00 N ATOM 286 CA ARG A 23 0.691 -2.361 -8.030 1.00 0.00 C ATOM 287 C ARG A 23 -0.038 -3.007 -9.204 1.00 0.00 C ATOM 288 O ARG A 23 -0.957 -2.419 -9.775 1.00 0.00 O ATOM 289 CB ARG A 23 1.874 -1.535 -8.542 1.00 0.00 C ATOM 290 CG ARG A 23 1.486 -0.493 -9.577 1.00 0.00 C ATOM 291 CD ARG A 23 2.231 0.814 -9.359 1.00 0.00 C ATOM 292 NE ARG A 23 2.684 1.403 -10.616 1.00 0.00 N ATOM 293 CZ ARG A 23 3.539 0.808 -11.440 1.00 0.00 C ATOM 294 NH1 ARG A 23 4.030 -0.387 -11.142 1.00 0.00 N ATOM 295 NH2 ARG A 23 3.904 1.407 -12.566 1.00 0.00 N ATOM 0 H ARG A 23 2.150 -3.336 -6.883 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.006 -1.703 -7.511 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.351 -1.037 -7.698 1.00 0.00 H new ATOM 0 HB3 ARG A 23 2.615 -2.207 -8.975 1.00 0.00 H new ATOM 0 HG2 ARG A 23 1.701 -0.873 -10.576 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.412 -0.313 -9.529 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.581 1.520 -8.842 1.00 0.00 H new ATOM 0 HD3 ARG A 23 3.090 0.638 -8.711 1.00 0.00 H new ATOM 0 HE ARG A 23 2.324 2.322 -10.875 1.00 0.00 H new ATOM 0 HH11 ARG A 23 3.751 -0.852 -10.278 1.00 0.00 H new ATOM 0 HH12 ARG A 23 4.686 -0.841 -11.777 1.00 0.00 H new ATOM 0 HH21 ARG A 23 3.528 2.326 -12.800 1.00 0.00 H new ATOM 0 HH22 ARG A 23 4.561 0.949 -13.198 1.00 0.00 H new ATOM 309 N GLU A 24 0.377 -4.219 -9.558 1.00 0.00 N ATOM 310 CA GLU A 24 -0.236 -4.943 -10.664 1.00 0.00 C ATOM 311 C GLU A 24 -1.441 -5.750 -10.186 1.00 0.00 C ATOM 312 O GLU A 24 -2.258 -6.201 -10.988 1.00 0.00 O ATOM 313 CB GLU A 24 0.784 -5.874 -11.323 1.00 0.00 C ATOM 314 CG GLU A 24 1.258 -5.391 -12.684 1.00 0.00 C ATOM 315 CD GLU A 24 2.385 -4.381 -12.585 1.00 0.00 C ATOM 316 OE1 GLU A 24 3.489 -4.765 -12.147 1.00 0.00 O ATOM 317 OE2 GLU A 24 2.162 -3.207 -12.947 1.00 0.00 O ATOM 0 H GLU A 24 1.135 -4.720 -9.095 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.577 -4.212 -11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.646 -5.980 -10.664 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.342 -6.865 -11.432 1.00 0.00 H new ATOM 0 HG2 GLU A 24 1.592 -6.246 -13.273 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.420 -4.944 -13.219 1.00 0.00 H new ATOM 324 N PHE A 25 -1.543 -5.928 -8.873 1.00 0.00 N ATOM 325 CA PHE A 25 -2.645 -6.681 -8.286 1.00 0.00 C ATOM 326 C PHE A 25 -3.846 -5.776 -8.031 1.00 0.00 C ATOM 327 O PHE A 25 -4.996 -6.203 -8.148 1.00 0.00 O ATOM 328 CB PHE A 25 -2.201 -7.339 -6.978 1.00 0.00 C ATOM 329 CG PHE A 25 -3.339 -7.896 -6.172 1.00 0.00 C ATOM 330 CD1 PHE A 25 -4.067 -8.982 -6.633 1.00 0.00 C ATOM 331 CD2 PHE A 25 -3.682 -7.335 -4.952 1.00 0.00 C ATOM 332 CE1 PHE A 25 -5.115 -9.495 -5.893 1.00 0.00 C ATOM 333 CE2 PHE A 25 -4.729 -7.845 -4.207 1.00 0.00 C ATOM 334 CZ PHE A 25 -5.446 -8.927 -4.679 1.00 0.00 C ATOM 0 H PHE A 25 -0.875 -5.561 -8.195 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.940 -7.457 -8.993 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.499 -8.142 -7.204 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.664 -6.606 -6.376 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.812 -9.432 -7.581 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.124 -6.489 -4.579 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.675 -10.340 -6.264 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -4.986 -7.398 -3.258 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.264 -9.328 -4.099 1.00 0.00 H new ATOM 344 N PHE A 26 -3.573 -4.523 -7.682 1.00 0.00 N ATOM 345 CA PHE A 26 -4.631 -3.557 -7.409 1.00 0.00 C ATOM 346 C PHE A 26 -5.023 -2.806 -8.677 1.00 0.00 C ATOM 347 O PHE A 26 -5.973 -2.023 -8.680 1.00 0.00 O ATOM 348 CB PHE A 26 -4.179 -2.565 -6.335 1.00 0.00 C ATOM 349 CG PHE A 26 -4.123 -3.158 -4.956 1.00 0.00 C ATOM 350 CD1 PHE A 26 -5.269 -3.647 -4.350 1.00 0.00 C ATOM 351 CD2 PHE A 26 -2.923 -3.228 -4.266 1.00 0.00 C ATOM 352 CE1 PHE A 26 -5.221 -4.194 -3.082 1.00 0.00 C ATOM 353 CE2 PHE A 26 -2.869 -3.774 -2.998 1.00 0.00 C ATOM 354 CZ PHE A 26 -4.019 -4.256 -2.404 1.00 0.00 C ATOM 0 H PHE A 26 -2.628 -4.153 -7.582 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.502 -4.103 -7.047 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.193 -2.182 -6.597 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.860 -1.714 -6.328 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.212 -3.600 -4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -2.020 -2.852 -4.724 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -6.122 -4.572 -2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.927 -3.824 -2.471 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.979 -4.680 -1.412 1.00 0.00 H new ATOM 364 N SER A 27 -4.284 -3.052 -9.755 1.00 0.00 N ATOM 365 CA SER A 27 -4.551 -2.396 -11.030 1.00 0.00 C ATOM 366 C SER A 27 -5.868 -2.885 -11.627 1.00 0.00 C ATOM 367 O SER A 27 -6.550 -2.148 -12.339 1.00 0.00 O ATOM 368 CB SER A 27 -3.406 -2.656 -12.011 1.00 0.00 C ATOM 369 OG SER A 27 -3.381 -4.013 -12.418 1.00 0.00 O ATOM 0 H SER A 27 -3.497 -3.700 -9.771 1.00 0.00 H new ATOM 0 HA SER A 27 -4.629 -1.324 -10.850 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.518 -2.013 -12.884 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.456 -2.396 -11.544 1.00 0.00 H new ATOM 0 HG SER A 27 -3.003 -4.563 -11.700 1.00 0.00 H new ATOM 375 N GLN A 28 -6.217 -4.133 -11.330 1.00 0.00 N ATOM 376 CA GLN A 28 -7.451 -4.720 -11.838 1.00 0.00 C ATOM 377 C GLN A 28 -8.667 -4.128 -11.132 1.00 0.00 C ATOM 378 O GLN A 28 -9.711 -3.914 -11.748 1.00 0.00 O ATOM 379 CB GLN A 28 -7.431 -6.239 -11.656 1.00 0.00 C ATOM 380 CG GLN A 28 -7.959 -6.697 -10.307 1.00 0.00 C ATOM 381 CD GLN A 28 -7.790 -8.189 -10.090 1.00 0.00 C ATOM 382 OE1 GLN A 28 -8.481 -8.999 -10.708 1.00 0.00 O ATOM 383 NE2 GLN A 28 -6.869 -8.558 -9.208 1.00 0.00 N ATOM 0 H GLN A 28 -5.664 -4.756 -10.741 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.522 -4.489 -12.901 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -8.026 -6.699 -12.445 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -6.409 -6.598 -11.778 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -7.439 -6.157 -9.515 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -9.015 -6.439 -10.228 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -6.319 -7.852 -8.719 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -6.711 -9.548 -9.019 1.00 0.00 H new ATOM 392 N TYR A 29 -8.524 -3.868 -9.838 1.00 0.00 N ATOM 393 CA TYR A 29 -9.612 -3.303 -9.047 1.00 0.00 C ATOM 394 C TYR A 29 -9.962 -1.899 -9.527 1.00 0.00 C ATOM 395 O TYR A 29 -11.118 -1.601 -9.821 1.00 0.00 O ATOM 396 CB TYR A 29 -9.229 -3.268 -7.566 1.00 0.00 C ATOM 397 CG TYR A 29 -9.098 -4.639 -6.942 1.00 0.00 C ATOM 398 CD1 TYR A 29 -7.975 -5.424 -7.171 1.00 0.00 C ATOM 399 CD2 TYR A 29 -10.097 -5.149 -6.123 1.00 0.00 C ATOM 400 CE1 TYR A 29 -7.851 -6.677 -6.604 1.00 0.00 C ATOM 401 CE2 TYR A 29 -9.981 -6.400 -5.549 1.00 0.00 C ATOM 402 CZ TYR A 29 -8.857 -7.161 -5.792 1.00 0.00 C ATOM 403 OH TYR A 29 -8.739 -8.408 -5.224 1.00 0.00 O ATOM 0 H TYR A 29 -7.666 -4.039 -9.314 1.00 0.00 H new ATOM 0 HA TYR A 29 -10.488 -3.939 -9.174 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.284 -2.736 -7.456 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -9.980 -2.699 -7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.185 -5.048 -7.804 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -10.980 -4.557 -5.932 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.972 -7.275 -6.795 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -10.767 -6.780 -4.913 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.793 -8.606 -5.064 1.00 0.00 H new ATOM 413 N GLY A 30 -8.952 -1.037 -9.604 1.00 0.00 N ATOM 414 CA GLY A 30 -9.172 0.326 -10.049 1.00 0.00 C ATOM 415 C GLY A 30 -7.900 0.988 -10.542 1.00 0.00 C ATOM 416 O GLY A 30 -6.880 0.324 -10.732 1.00 0.00 O ATOM 0 H GLY A 30 -7.985 -1.259 -9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.913 0.329 -10.849 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.587 0.910 -9.228 1.00 0.00 H new ATOM 420 N ASP A 31 -7.959 2.299 -10.748 1.00 0.00 N ATOM 421 CA ASP A 31 -6.803 3.051 -11.222 1.00 0.00 C ATOM 422 C ASP A 31 -5.850 3.362 -10.072 1.00 0.00 C ATOM 423 O ASP A 31 -5.873 4.457 -9.511 1.00 0.00 O ATOM 424 CB ASP A 31 -7.253 4.350 -11.894 1.00 0.00 C ATOM 425 CG ASP A 31 -7.550 4.166 -13.368 1.00 0.00 C ATOM 426 OD1 ASP A 31 -6.775 3.459 -14.046 1.00 0.00 O ATOM 427 OD2 ASP A 31 -8.557 4.729 -13.846 1.00 0.00 O ATOM 0 H ASP A 31 -8.795 2.863 -10.594 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.275 2.438 -11.952 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.144 4.726 -11.391 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.476 5.105 -11.774 1.00 0.00 H new ATOM 432 N VAL A 32 -5.011 2.390 -9.726 1.00 0.00 N ATOM 433 CA VAL A 32 -4.049 2.559 -8.644 1.00 0.00 C ATOM 434 C VAL A 32 -2.998 3.604 -9.002 1.00 0.00 C ATOM 435 O VAL A 32 -2.027 3.309 -9.697 1.00 0.00 O ATOM 436 CB VAL A 32 -3.344 1.232 -8.306 1.00 0.00 C ATOM 437 CG1 VAL A 32 -2.674 0.654 -9.543 1.00 0.00 C ATOM 438 CG2 VAL A 32 -2.334 1.435 -7.188 1.00 0.00 C ATOM 0 H VAL A 32 -4.979 1.477 -10.180 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.610 2.895 -7.772 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.094 0.520 -7.962 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.181 -0.283 -9.285 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.425 0.470 -10.311 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.935 1.361 -9.920 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.846 0.487 -6.962 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.586 2.163 -7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.845 1.801 -6.298 1.00 0.00 H new ATOM 448 N MET A 33 -3.199 4.827 -8.520 1.00 0.00 N ATOM 449 CA MET A 33 -2.266 5.915 -8.788 1.00 0.00 C ATOM 450 C MET A 33 -0.823 5.433 -8.682 1.00 0.00 C ATOM 451 O MET A 33 -0.082 5.441 -9.665 1.00 0.00 O ATOM 452 CB MET A 33 -2.503 7.070 -7.812 1.00 0.00 C ATOM 453 CG MET A 33 -3.397 8.165 -8.373 1.00 0.00 C ATOM 454 SD MET A 33 -2.498 9.327 -9.418 1.00 0.00 S ATOM 455 CE MET A 33 -3.280 10.872 -8.957 1.00 0.00 C ATOM 0 H MET A 33 -3.998 5.089 -7.943 1.00 0.00 H new ATOM 0 HA MET A 33 -2.439 6.266 -9.805 1.00 0.00 H new ATOM 0 HB2 MET A 33 -2.952 6.678 -6.899 1.00 0.00 H new ATOM 0 HB3 MET A 33 -1.542 7.503 -7.534 1.00 0.00 H new ATOM 0 HG2 MET A 33 -4.202 7.711 -8.950 1.00 0.00 H new ATOM 0 HG3 MET A 33 -3.862 8.707 -7.549 1.00 0.00 H new ATOM 0 HE1 MET A 33 -2.831 11.690 -9.521 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.346 10.821 -9.179 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.140 11.047 -7.890 1.00 0.00 H new ATOM 465 N ASP A 34 -0.430 5.016 -7.483 1.00 0.00 N ATOM 466 CA ASP A 34 0.925 4.530 -7.249 1.00 0.00 C ATOM 467 C ASP A 34 0.992 3.700 -5.971 1.00 0.00 C ATOM 468 O ASP A 34 0.016 3.610 -5.225 1.00 0.00 O ATOM 469 CB ASP A 34 1.903 5.702 -7.162 1.00 0.00 C ATOM 470 CG ASP A 34 3.194 5.438 -7.910 1.00 0.00 C ATOM 471 OD1 ASP A 34 4.066 4.734 -7.358 1.00 0.00 O ATOM 472 OD2 ASP A 34 3.333 5.932 -9.048 1.00 0.00 O ATOM 0 H ASP A 34 -1.030 5.005 -6.658 1.00 0.00 H new ATOM 0 HA ASP A 34 1.206 3.894 -8.089 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.429 6.597 -7.566 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.129 5.906 -6.115 1.00 0.00 H new ATOM 477 N VAL A 35 2.149 3.093 -5.724 1.00 0.00 N ATOM 478 CA VAL A 35 2.343 2.272 -4.536 1.00 0.00 C ATOM 479 C VAL A 35 3.696 2.548 -3.891 1.00 0.00 C ATOM 480 O VAL A 35 4.743 2.332 -4.503 1.00 0.00 O ATOM 481 CB VAL A 35 2.242 0.771 -4.871 1.00 0.00 C ATOM 482 CG1 VAL A 35 2.446 -0.070 -3.619 1.00 0.00 C ATOM 483 CG2 VAL A 35 0.903 0.458 -5.520 1.00 0.00 C ATOM 0 H VAL A 35 2.966 3.155 -6.332 1.00 0.00 H new ATOM 0 HA VAL A 35 1.551 2.536 -3.835 1.00 0.00 H new ATOM 0 HB VAL A 35 3.031 0.522 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.371 -1.127 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 35 3.432 0.133 -3.201 1.00 0.00 H new ATOM 0 HG13 VAL A 35 1.681 0.180 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.850 -0.606 -5.749 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.097 0.723 -4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.801 1.033 -6.440 1.00 0.00 H new ATOM 493 N PHE A 36 3.668 3.025 -2.652 1.00 0.00 N ATOM 494 CA PHE A 36 4.893 3.333 -1.923 1.00 0.00 C ATOM 495 C PHE A 36 5.066 2.397 -0.729 1.00 0.00 C ATOM 496 O PHE A 36 4.108 1.769 -0.278 1.00 0.00 O ATOM 497 CB PHE A 36 4.879 4.787 -1.447 1.00 0.00 C ATOM 498 CG PHE A 36 5.965 5.107 -0.462 1.00 0.00 C ATOM 499 CD1 PHE A 36 7.295 5.108 -0.853 1.00 0.00 C ATOM 500 CD2 PHE A 36 5.659 5.405 0.856 1.00 0.00 C ATOM 501 CE1 PHE A 36 8.298 5.402 0.051 1.00 0.00 C ATOM 502 CE2 PHE A 36 6.658 5.701 1.765 1.00 0.00 C ATOM 503 CZ PHE A 36 7.979 5.697 1.362 1.00 0.00 C ATOM 0 H PHE A 36 2.810 3.207 -2.131 1.00 0.00 H new ATOM 0 HA PHE A 36 5.734 3.189 -2.601 1.00 0.00 H new ATOM 0 HB2 PHE A 36 4.978 5.444 -2.311 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.912 5.002 -0.992 1.00 0.00 H new ATOM 0 HD1 PHE A 36 7.550 4.876 -1.876 1.00 0.00 H new ATOM 0 HD2 PHE A 36 4.628 5.406 1.177 1.00 0.00 H new ATOM 0 HE1 PHE A 36 9.330 5.401 -0.267 1.00 0.00 H new ATOM 0 HE2 PHE A 36 6.406 5.935 2.789 1.00 0.00 H new ATOM 0 HZ PHE A 36 8.761 5.924 2.071 1.00 0.00 H new ATOM 513 N ILE A 37 6.292 2.310 -0.226 1.00 0.00 N ATOM 514 CA ILE A 37 6.589 1.452 0.914 1.00 0.00 C ATOM 515 C ILE A 37 7.367 2.211 1.984 1.00 0.00 C ATOM 516 O ILE A 37 8.589 2.343 1.923 1.00 0.00 O ATOM 517 CB ILE A 37 7.398 0.212 0.490 1.00 0.00 C ATOM 518 CG1 ILE A 37 6.576 -0.659 -0.461 1.00 0.00 C ATOM 519 CG2 ILE A 37 7.824 -0.586 1.713 1.00 0.00 C ATOM 520 CD1 ILE A 37 7.331 -1.860 -0.986 1.00 0.00 C ATOM 0 H ILE A 37 7.095 2.823 -0.589 1.00 0.00 H new ATOM 0 HA ILE A 37 5.632 1.128 1.324 1.00 0.00 H new ATOM 0 HB ILE A 37 8.295 0.543 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.680 -1.001 0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.246 -0.051 -1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.395 -1.459 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.443 0.038 2.357 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.940 -0.910 2.262 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.686 -2.432 -1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.213 -1.525 -1.532 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.638 -2.490 -0.151 1.00 0.00 H new ATOM 532 N PRO A 38 6.642 2.720 2.993 1.00 0.00 N ATOM 533 CA PRO A 38 7.243 3.472 4.098 1.00 0.00 C ATOM 534 C PRO A 38 8.077 2.586 5.016 1.00 0.00 C ATOM 535 O PRO A 38 7.561 1.656 5.637 1.00 0.00 O ATOM 536 CB PRO A 38 6.031 4.029 4.849 1.00 0.00 C ATOM 537 CG PRO A 38 4.922 3.086 4.529 1.00 0.00 C ATOM 538 CD PRO A 38 5.181 2.600 3.130 1.00 0.00 C ATOM 0 HA PRO A 38 7.931 4.239 3.742 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.216 4.073 5.922 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.795 5.042 4.524 1.00 0.00 H new ATOM 0 HG2 PRO A 38 4.902 2.254 5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.955 3.584 4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 38 4.848 1.571 2.994 1.00 0.00 H new ATOM 0 HD3 PRO A 38 4.657 3.206 2.391 1.00 0.00 H new ATOM 546 N LYS A 39 9.371 2.878 5.098 1.00 0.00 N ATOM 547 CA LYS A 39 10.278 2.109 5.942 1.00 0.00 C ATOM 548 C LYS A 39 10.314 2.675 7.358 1.00 0.00 C ATOM 549 O LYS A 39 10.073 3.861 7.585 1.00 0.00 O ATOM 550 CB LYS A 39 11.687 2.109 5.344 1.00 0.00 C ATOM 551 CG LYS A 39 11.786 1.373 4.019 1.00 0.00 C ATOM 552 CD LYS A 39 11.903 -0.128 4.224 1.00 0.00 C ATOM 553 CE LYS A 39 12.601 -0.797 3.049 1.00 0.00 C ATOM 554 NZ LYS A 39 11.883 -2.023 2.602 1.00 0.00 N ATOM 0 H LYS A 39 9.815 3.643 4.590 1.00 0.00 H new ATOM 0 HA LYS A 39 9.910 1.084 5.989 1.00 0.00 H new ATOM 0 HB2 LYS A 39 12.012 3.140 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 39 12.375 1.652 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.906 1.591 3.414 1.00 0.00 H new ATOM 0 HG3 LYS A 39 12.652 1.734 3.465 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.457 -0.329 5.141 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.909 -0.558 4.351 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.670 -0.094 2.219 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.621 -1.057 3.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.390 -2.449 1.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.839 -2.705 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.918 -1.772 2.307 1.00 0.00 H new ATOM 568 N PRO A 40 10.625 1.809 8.334 1.00 0.00 N ATOM 569 CA PRO A 40 10.914 0.395 8.076 1.00 0.00 C ATOM 570 C PRO A 40 9.673 -0.381 7.648 1.00 0.00 C ATOM 571 O PRO A 40 8.586 -0.181 8.189 1.00 0.00 O ATOM 572 CB PRO A 40 11.424 -0.115 9.426 1.00 0.00 C ATOM 573 CG PRO A 40 10.814 0.798 10.432 1.00 0.00 C ATOM 574 CD PRO A 40 10.718 2.144 9.765 1.00 0.00 C ATOM 0 HA PRO A 40 11.625 0.267 7.260 1.00 0.00 H new ATOM 0 HB2 PRO A 40 11.125 -1.149 9.597 1.00 0.00 H new ATOM 0 HB3 PRO A 40 12.513 -0.086 9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.830 0.442 10.736 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.426 0.851 11.332 1.00 0.00 H new ATOM 0 HD2 PRO A 40 9.844 2.700 10.105 1.00 0.00 H new ATOM 0 HD3 PRO A 40 11.591 2.761 9.977 1.00 0.00 H new ATOM 582 N PHE A 41 9.843 -1.269 6.673 1.00 0.00 N ATOM 583 CA PHE A 41 8.737 -2.075 6.172 1.00 0.00 C ATOM 584 C PHE A 41 8.331 -3.136 7.192 1.00 0.00 C ATOM 585 O PHE A 41 9.065 -4.093 7.433 1.00 0.00 O ATOM 586 CB PHE A 41 9.121 -2.743 4.851 1.00 0.00 C ATOM 587 CG PHE A 41 8.274 -3.937 4.513 1.00 0.00 C ATOM 588 CD1 PHE A 41 7.022 -3.775 3.943 1.00 0.00 C ATOM 589 CD2 PHE A 41 8.731 -5.221 4.767 1.00 0.00 C ATOM 590 CE1 PHE A 41 6.241 -4.872 3.631 1.00 0.00 C ATOM 591 CE2 PHE A 41 7.954 -6.321 4.457 1.00 0.00 C ATOM 592 CZ PHE A 41 6.707 -6.146 3.889 1.00 0.00 C ATOM 0 H PHE A 41 10.737 -1.448 6.215 1.00 0.00 H new ATOM 0 HA PHE A 41 7.887 -1.414 6.003 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.041 -2.012 4.047 1.00 0.00 H new ATOM 0 HB3 PHE A 41 10.166 -3.051 4.899 1.00 0.00 H new ATOM 0 HD1 PHE A 41 6.652 -2.781 3.740 1.00 0.00 H new ATOM 0 HD2 PHE A 41 9.705 -5.363 5.212 1.00 0.00 H new ATOM 0 HE1 PHE A 41 5.267 -4.733 3.186 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.321 -7.316 4.659 1.00 0.00 H new ATOM 0 HZ PHE A 41 6.098 -7.004 3.647 1.00 0.00 H new ATOM 602 N ARG A 42 7.157 -2.956 7.788 1.00 0.00 N ATOM 603 CA ARG A 42 6.653 -3.897 8.783 1.00 0.00 C ATOM 604 C ARG A 42 5.420 -4.629 8.264 1.00 0.00 C ATOM 605 O ARG A 42 4.288 -4.237 8.545 1.00 0.00 O ATOM 606 CB ARG A 42 6.315 -3.163 10.082 1.00 0.00 C ATOM 607 CG ARG A 42 7.382 -3.302 11.156 1.00 0.00 C ATOM 608 CD ARG A 42 7.166 -2.311 12.288 1.00 0.00 C ATOM 609 NE ARG A 42 6.233 -2.818 13.289 1.00 0.00 N ATOM 610 CZ ARG A 42 4.913 -2.721 13.180 1.00 0.00 C ATOM 611 NH1 ARG A 42 4.374 -2.140 12.117 1.00 0.00 N ATOM 612 NH2 ARG A 42 4.130 -3.208 14.134 1.00 0.00 N ATOM 0 H ARG A 42 6.537 -2.168 7.600 1.00 0.00 H new ATOM 0 HA ARG A 42 7.433 -4.632 8.980 1.00 0.00 H new ATOM 0 HB2 ARG A 42 6.167 -2.105 9.864 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.370 -3.544 10.469 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.370 -4.317 11.553 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.366 -3.143 10.715 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.122 -2.089 12.763 1.00 0.00 H new ATOM 0 HD3 ARG A 42 6.787 -1.373 11.881 1.00 0.00 H new ATOM 0 HE ARG A 42 6.616 -3.272 14.118 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.973 -1.767 11.381 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.360 -2.067 12.035 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.542 -3.657 14.952 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.116 -3.133 14.050 1.00 0.00 H new ATOM 626 N ALA A 43 5.647 -5.695 7.503 1.00 0.00 N ATOM 627 CA ALA A 43 4.556 -6.483 6.946 1.00 0.00 C ATOM 628 C ALA A 43 3.366 -5.598 6.589 1.00 0.00 C ATOM 629 O ALA A 43 2.214 -5.965 6.823 1.00 0.00 O ATOM 630 CB ALA A 43 4.133 -7.568 7.926 1.00 0.00 C ATOM 0 H ALA A 43 6.578 -6.032 7.258 1.00 0.00 H new ATOM 0 HA ALA A 43 4.913 -6.955 6.031 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.317 -8.149 7.496 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.979 -8.225 8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.800 -7.108 8.856 1.00 0.00 H new ATOM 636 N PHE A 44 3.653 -4.431 6.022 1.00 0.00 N ATOM 637 CA PHE A 44 2.606 -3.492 5.634 1.00 0.00 C ATOM 638 C PHE A 44 3.130 -2.484 4.615 1.00 0.00 C ATOM 639 O PHE A 44 4.261 -2.010 4.720 1.00 0.00 O ATOM 640 CB PHE A 44 2.068 -2.759 6.865 1.00 0.00 C ATOM 641 CG PHE A 44 2.770 -1.460 7.143 1.00 0.00 C ATOM 642 CD1 PHE A 44 4.144 -1.424 7.316 1.00 0.00 C ATOM 643 CD2 PHE A 44 2.056 -0.276 7.231 1.00 0.00 C ATOM 644 CE1 PHE A 44 4.794 -0.231 7.573 1.00 0.00 C ATOM 645 CE2 PHE A 44 2.700 0.919 7.487 1.00 0.00 C ATOM 646 CZ PHE A 44 4.070 0.942 7.659 1.00 0.00 C ATOM 0 H PHE A 44 4.601 -4.113 5.821 1.00 0.00 H new ATOM 0 HA PHE A 44 1.796 -4.058 5.174 1.00 0.00 H new ATOM 0 HB2 PHE A 44 1.004 -2.566 6.727 1.00 0.00 H new ATOM 0 HB3 PHE A 44 2.164 -3.408 7.735 1.00 0.00 H new ATOM 0 HD1 PHE A 44 4.714 -2.339 7.249 1.00 0.00 H new ATOM 0 HD2 PHE A 44 0.984 -0.287 7.098 1.00 0.00 H new ATOM 0 HE1 PHE A 44 5.866 -0.216 7.706 1.00 0.00 H new ATOM 0 HE2 PHE A 44 2.132 1.835 7.553 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.574 1.876 7.860 1.00 0.00 H new ATOM 656 N ALA A 45 2.298 -2.162 3.630 1.00 0.00 N ATOM 657 CA ALA A 45 2.675 -1.209 2.593 1.00 0.00 C ATOM 658 C ALA A 45 1.568 -0.189 2.354 1.00 0.00 C ATOM 659 O ALA A 45 0.411 -0.420 2.708 1.00 0.00 O ATOM 660 CB ALA A 45 3.010 -1.941 1.302 1.00 0.00 C ATOM 0 H ALA A 45 1.359 -2.547 3.528 1.00 0.00 H new ATOM 0 HA ALA A 45 3.560 -0.671 2.933 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.290 -1.218 0.536 1.00 0.00 H new ATOM 0 HB2 ALA A 45 3.841 -2.625 1.476 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.140 -2.506 0.967 1.00 0.00 H new ATOM 666 N PHE A 46 1.929 0.940 1.754 1.00 0.00 N ATOM 667 CA PHE A 46 0.965 1.997 1.469 1.00 0.00 C ATOM 668 C PHE A 46 0.628 2.040 -0.019 1.00 0.00 C ATOM 669 O PHE A 46 1.513 1.949 -0.869 1.00 0.00 O ATOM 670 CB PHE A 46 1.514 3.351 1.919 1.00 0.00 C ATOM 671 CG PHE A 46 0.533 4.478 1.763 1.00 0.00 C ATOM 672 CD1 PHE A 46 -0.579 4.564 2.584 1.00 0.00 C ATOM 673 CD2 PHE A 46 0.723 5.450 0.794 1.00 0.00 C ATOM 674 CE1 PHE A 46 -1.485 5.599 2.442 1.00 0.00 C ATOM 675 CE2 PHE A 46 -0.178 6.488 0.649 1.00 0.00 C ATOM 676 CZ PHE A 46 -1.284 6.563 1.473 1.00 0.00 C ATOM 0 H PHE A 46 2.882 1.147 1.455 1.00 0.00 H new ATOM 0 HA PHE A 46 0.052 1.781 2.023 1.00 0.00 H new ATOM 0 HB2 PHE A 46 1.814 3.283 2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.412 3.579 1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.740 3.814 3.344 1.00 0.00 H new ATOM 0 HD2 PHE A 46 1.585 5.396 0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -2.349 5.654 3.088 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.017 7.241 -0.109 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.990 7.373 1.360 1.00 0.00 H new ATOM 686 N VAL A 47 -0.659 2.178 -0.325 1.00 0.00 N ATOM 687 CA VAL A 47 -1.113 2.234 -1.708 1.00 0.00 C ATOM 688 C VAL A 47 -2.091 3.384 -1.919 1.00 0.00 C ATOM 689 O VAL A 47 -2.942 3.654 -1.072 1.00 0.00 O ATOM 690 CB VAL A 47 -1.789 0.916 -2.131 1.00 0.00 C ATOM 691 CG1 VAL A 47 -2.106 0.931 -3.619 1.00 0.00 C ATOM 692 CG2 VAL A 47 -0.906 -0.272 -1.778 1.00 0.00 C ATOM 0 H VAL A 47 -1.405 2.253 0.367 1.00 0.00 H new ATOM 0 HA VAL A 47 -0.229 2.395 -2.325 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.727 0.818 -1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.583 -0.008 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -2.779 1.760 -3.839 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.183 1.052 -4.186 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.399 -1.195 -2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 47 0.049 -0.182 -2.295 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -0.735 -0.291 -0.702 1.00 0.00 H new ATOM 702 N THR A 48 -1.965 4.060 -3.058 1.00 0.00 N ATOM 703 CA THR A 48 -2.837 5.182 -3.381 1.00 0.00 C ATOM 704 C THR A 48 -3.662 4.896 -4.630 1.00 0.00 C ATOM 705 O THR A 48 -3.158 4.334 -5.603 1.00 0.00 O ATOM 706 CB THR A 48 -2.031 6.477 -3.597 1.00 0.00 C ATOM 707 OG1 THR A 48 -1.341 6.831 -2.392 1.00 0.00 O ATOM 708 CG2 THR A 48 -2.943 7.618 -4.019 1.00 0.00 C ATOM 0 H THR A 48 -1.267 3.849 -3.771 1.00 0.00 H new ATOM 0 HA THR A 48 -3.505 5.317 -2.531 1.00 0.00 H new ATOM 0 HB THR A 48 -1.306 6.300 -4.392 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.830 7.654 -2.538 1.00 0.00 H new ATOM 0 HG21 THR A 48 -2.351 8.522 -4.166 1.00 0.00 H new ATOM 0 HG22 THR A 48 -3.444 7.357 -4.951 1.00 0.00 H new ATOM 0 HG23 THR A 48 -3.688 7.794 -3.243 1.00 0.00 H new ATOM 716 N PHE A 49 -4.932 5.285 -4.598 1.00 0.00 N ATOM 717 CA PHE A 49 -5.826 5.069 -5.728 1.00 0.00 C ATOM 718 C PHE A 49 -6.282 6.400 -6.322 1.00 0.00 C ATOM 719 O PHE A 49 -6.471 7.380 -5.604 1.00 0.00 O ATOM 720 CB PHE A 49 -7.043 4.249 -5.295 1.00 0.00 C ATOM 721 CG PHE A 49 -6.738 2.793 -5.085 1.00 0.00 C ATOM 722 CD1 PHE A 49 -6.471 1.965 -6.162 1.00 0.00 C ATOM 723 CD2 PHE A 49 -6.721 2.253 -3.809 1.00 0.00 C ATOM 724 CE1 PHE A 49 -6.190 0.624 -5.971 1.00 0.00 C ATOM 725 CE2 PHE A 49 -6.441 0.914 -3.611 1.00 0.00 C ATOM 726 CZ PHE A 49 -6.176 0.098 -4.694 1.00 0.00 C ATOM 0 H PHE A 49 -5.365 5.752 -3.801 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.278 4.517 -6.492 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.442 4.666 -4.370 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.823 4.344 -6.050 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.482 2.371 -7.163 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.929 2.886 -2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.982 -0.011 -6.819 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.429 0.506 -2.611 1.00 0.00 H new ATOM 0 HZ PHE A 49 -5.958 -0.949 -4.542 1.00 0.00 H new ATOM 736 N ALA A 50 -6.457 6.424 -7.640 1.00 0.00 N ATOM 737 CA ALA A 50 -6.890 7.631 -8.331 1.00 0.00 C ATOM 738 C ALA A 50 -8.218 8.134 -7.775 1.00 0.00 C ATOM 739 O ALA A 50 -8.498 9.333 -7.801 1.00 0.00 O ATOM 740 CB ALA A 50 -7.008 7.371 -9.825 1.00 0.00 C ATOM 0 H ALA A 50 -6.305 5.620 -8.250 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.139 8.403 -8.166 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.332 8.282 -10.328 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.039 7.064 -10.219 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.737 6.580 -10.000 1.00 0.00 H new ATOM 746 N ASP A 51 -9.031 7.213 -7.271 1.00 0.00 N ATOM 747 CA ASP A 51 -10.329 7.563 -6.708 1.00 0.00 C ATOM 748 C ASP A 51 -10.418 7.143 -5.244 1.00 0.00 C ATOM 749 O ASP A 51 -9.851 6.125 -4.845 1.00 0.00 O ATOM 750 CB ASP A 51 -11.453 6.904 -7.509 1.00 0.00 C ATOM 751 CG ASP A 51 -12.501 7.900 -7.965 1.00 0.00 C ATOM 752 OD1 ASP A 51 -13.218 8.444 -7.099 1.00 0.00 O ATOM 753 OD2 ASP A 51 -12.605 8.136 -9.187 1.00 0.00 O ATOM 0 H ASP A 51 -8.814 6.217 -7.241 1.00 0.00 H new ATOM 0 HA ASP A 51 -10.440 8.646 -6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.029 6.403 -8.379 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -11.928 6.136 -6.899 1.00 0.00 H new ATOM 758 N ASP A 52 -11.131 7.933 -4.449 1.00 0.00 N ATOM 759 CA ASP A 52 -11.294 7.642 -3.030 1.00 0.00 C ATOM 760 C ASP A 52 -12.289 6.505 -2.817 1.00 0.00 C ATOM 761 O ASP A 52 -12.281 5.848 -1.776 1.00 0.00 O ATOM 762 CB ASP A 52 -11.763 8.892 -2.282 1.00 0.00 C ATOM 763 CG ASP A 52 -12.964 9.543 -2.939 1.00 0.00 C ATOM 764 OD1 ASP A 52 -12.790 10.167 -4.007 1.00 0.00 O ATOM 765 OD2 ASP A 52 -14.078 9.429 -2.385 1.00 0.00 O ATOM 0 H ASP A 52 -11.605 8.780 -4.763 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.326 7.332 -2.636 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.014 8.625 -1.256 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.945 9.611 -2.233 1.00 0.00 H new ATOM 770 N GLN A 53 -13.142 6.279 -3.811 1.00 0.00 N ATOM 771 CA GLN A 53 -14.143 5.223 -3.732 1.00 0.00 C ATOM 772 C GLN A 53 -13.489 3.847 -3.805 1.00 0.00 C ATOM 773 O GLN A 53 -13.950 2.895 -3.172 1.00 0.00 O ATOM 774 CB GLN A 53 -15.166 5.375 -4.859 1.00 0.00 C ATOM 775 CG GLN A 53 -14.544 5.394 -6.246 1.00 0.00 C ATOM 776 CD GLN A 53 -15.579 5.515 -7.348 1.00 0.00 C ATOM 777 OE1 GLN A 53 -16.081 4.512 -7.856 1.00 0.00 O ATOM 778 NE2 GLN A 53 -15.904 6.746 -7.723 1.00 0.00 N ATOM 0 H GLN A 53 -13.160 6.813 -4.680 1.00 0.00 H new ATOM 0 HA GLN A 53 -14.654 5.312 -2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -15.882 4.555 -4.802 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -15.726 6.298 -4.708 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -13.846 6.228 -6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -13.966 4.481 -6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -15.463 7.549 -7.275 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -16.595 6.889 -8.460 1.00 0.00 H new ATOM 787 N ILE A 54 -12.415 3.748 -4.581 1.00 0.00 N ATOM 788 CA ILE A 54 -11.698 2.489 -4.736 1.00 0.00 C ATOM 789 C ILE A 54 -11.087 2.038 -3.413 1.00 0.00 C ATOM 790 O ILE A 54 -11.122 0.856 -3.073 1.00 0.00 O ATOM 791 CB ILE A 54 -10.583 2.601 -5.792 1.00 0.00 C ATOM 792 CG1 ILE A 54 -11.170 3.019 -7.142 1.00 0.00 C ATOM 793 CG2 ILE A 54 -9.837 1.282 -5.918 1.00 0.00 C ATOM 794 CD1 ILE A 54 -10.133 3.518 -8.124 1.00 0.00 C ATOM 0 H ILE A 54 -12.022 4.525 -5.112 1.00 0.00 H new ATOM 0 HA ILE A 54 -12.427 1.750 -5.068 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.875 3.366 -5.472 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -11.694 2.169 -7.580 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -11.911 3.802 -6.980 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.052 1.378 -6.668 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.391 1.023 -4.958 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -10.532 0.498 -6.218 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -10.621 3.796 -9.058 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -9.625 4.388 -7.707 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -9.405 2.730 -8.316 1.00 0.00 H new ATOM 806 N ALA A 55 -10.527 2.988 -2.672 1.00 0.00 N ATOM 807 CA ALA A 55 -9.912 2.690 -1.385 1.00 0.00 C ATOM 808 C ALA A 55 -10.963 2.308 -0.348 1.00 0.00 C ATOM 809 O ALA A 55 -10.878 1.249 0.272 1.00 0.00 O ATOM 810 CB ALA A 55 -9.099 3.882 -0.900 1.00 0.00 C ATOM 0 H ALA A 55 -10.487 3.971 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.245 1.838 -1.518 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.645 3.646 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.317 4.108 -1.624 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.752 4.748 -0.790 1.00 0.00 H new ATOM 816 N GLN A 56 -11.953 3.177 -0.167 1.00 0.00 N ATOM 817 CA GLN A 56 -13.019 2.930 0.795 1.00 0.00 C ATOM 818 C GLN A 56 -13.764 1.641 0.463 1.00 0.00 C ATOM 819 O GLN A 56 -14.232 0.935 1.357 1.00 0.00 O ATOM 820 CB GLN A 56 -13.997 4.106 0.819 1.00 0.00 C ATOM 821 CG GLN A 56 -13.791 5.046 1.995 1.00 0.00 C ATOM 822 CD GLN A 56 -13.496 6.468 1.561 1.00 0.00 C ATOM 823 OE1 GLN A 56 -14.331 7.123 0.936 1.00 0.00 O ATOM 824 NE2 GLN A 56 -12.306 6.954 1.891 1.00 0.00 N ATOM 0 H GLN A 56 -12.038 4.058 -0.674 1.00 0.00 H new ATOM 0 HA GLN A 56 -12.566 2.823 1.781 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -13.896 4.670 -0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -15.016 3.720 0.848 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -14.683 5.039 2.621 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -12.968 4.679 2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -11.645 6.376 2.409 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.053 7.906 1.626 1.00 0.00 H new ATOM 833 N SER A 57 -13.870 1.340 -0.827 1.00 0.00 N ATOM 834 CA SER A 57 -14.561 0.138 -1.277 1.00 0.00 C ATOM 835 C SER A 57 -13.749 -1.112 -0.950 1.00 0.00 C ATOM 836 O SER A 57 -14.293 -2.212 -0.845 1.00 0.00 O ATOM 837 CB SER A 57 -14.824 0.209 -2.783 1.00 0.00 C ATOM 838 OG SER A 57 -13.625 0.443 -3.500 1.00 0.00 O ATOM 0 H SER A 57 -13.486 1.912 -1.579 1.00 0.00 H new ATOM 0 HA SER A 57 -15.514 0.079 -0.751 1.00 0.00 H new ATOM 0 HB2 SER A 57 -15.277 -0.723 -3.120 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.538 1.005 -2.993 1.00 0.00 H new ATOM 0 HG SER A 57 -12.860 0.372 -2.891 1.00 0.00 H new ATOM 844 N LEU A 58 -12.442 -0.933 -0.789 1.00 0.00 N ATOM 845 CA LEU A 58 -11.551 -2.046 -0.473 1.00 0.00 C ATOM 846 C LEU A 58 -11.357 -2.176 1.034 1.00 0.00 C ATOM 847 O LEU A 58 -11.118 -3.270 1.547 1.00 0.00 O ATOM 848 CB LEU A 58 -10.199 -1.852 -1.160 1.00 0.00 C ATOM 849 CG LEU A 58 -10.027 -2.543 -2.512 1.00 0.00 C ATOM 850 CD1 LEU A 58 -8.676 -2.200 -3.121 1.00 0.00 C ATOM 851 CD2 LEU A 58 -10.179 -4.051 -2.365 1.00 0.00 C ATOM 0 H LEU A 58 -11.976 -0.030 -0.872 1.00 0.00 H new ATOM 0 HA LEU A 58 -12.009 -2.964 -0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -10.034 -0.783 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -9.419 -2.211 -0.489 1.00 0.00 H new ATOM 0 HG LEU A 58 -10.807 -2.182 -3.183 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.573 -2.702 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.605 -1.122 -3.264 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.881 -2.530 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -10.053 -4.526 -3.338 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -9.422 -4.428 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -11.171 -4.280 -1.975 1.00 0.00 H new ATOM 863 N CYS A 59 -11.461 -1.054 1.737 1.00 0.00 N ATOM 864 CA CYS A 59 -11.297 -1.043 3.187 1.00 0.00 C ATOM 865 C CYS A 59 -12.285 -1.995 3.853 1.00 0.00 C ATOM 866 O CYS A 59 -13.495 -1.777 3.815 1.00 0.00 O ATOM 867 CB CYS A 59 -11.489 0.374 3.731 1.00 0.00 C ATOM 868 SG CYS A 59 -11.306 0.506 5.525 1.00 0.00 S ATOM 0 H CYS A 59 -11.658 -0.141 1.328 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.286 -1.379 3.417 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -10.767 1.036 3.253 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -12.481 0.728 3.451 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.484 1.741 5.890 1.00 0.00 H new ATOM 874 N GLY A 60 -11.759 -3.054 4.463 1.00 0.00 N ATOM 875 CA GLY A 60 -12.608 -4.025 5.126 1.00 0.00 C ATOM 876 C GLY A 60 -12.779 -5.295 4.316 1.00 0.00 C ATOM 877 O GLY A 60 -13.562 -6.170 4.683 1.00 0.00 O ATOM 0 H GLY A 60 -10.760 -3.256 4.509 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -12.181 -4.272 6.098 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -13.586 -3.581 5.311 1.00 0.00 H new ATOM 881 N GLU A 61 -12.046 -5.395 3.212 1.00 0.00 N ATOM 882 CA GLU A 61 -12.124 -6.567 2.348 1.00 0.00 C ATOM 883 C GLU A 61 -10.852 -7.404 2.451 1.00 0.00 C ATOM 884 O GLU A 61 -9.745 -6.867 2.500 1.00 0.00 O ATOM 885 CB GLU A 61 -12.351 -6.142 0.896 1.00 0.00 C ATOM 886 CG GLU A 61 -13.602 -5.303 0.696 1.00 0.00 C ATOM 887 CD GLU A 61 -14.213 -5.485 -0.680 1.00 0.00 C ATOM 888 OE1 GLU A 61 -13.453 -5.736 -1.639 1.00 0.00 O ATOM 889 OE2 GLU A 61 -15.451 -5.376 -0.797 1.00 0.00 O ATOM 0 H GLU A 61 -11.392 -4.679 2.895 1.00 0.00 H new ATOM 0 HA GLU A 61 -12.966 -7.175 2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -11.485 -5.576 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -12.418 -7.033 0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -14.338 -5.569 1.454 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -13.357 -4.251 0.844 1.00 0.00 H new ATOM 896 N ASP A 62 -11.019 -8.721 2.485 1.00 0.00 N ATOM 897 CA ASP A 62 -9.886 -9.634 2.583 1.00 0.00 C ATOM 898 C ASP A 62 -9.448 -10.105 1.199 1.00 0.00 C ATOM 899 O ASP A 62 -10.184 -10.813 0.511 1.00 0.00 O ATOM 900 CB ASP A 62 -10.246 -10.838 3.455 1.00 0.00 C ATOM 901 CG ASP A 62 -11.676 -11.299 3.242 1.00 0.00 C ATOM 902 OD1 ASP A 62 -12.096 -11.408 2.071 1.00 0.00 O ATOM 903 OD2 ASP A 62 -12.372 -11.551 4.247 1.00 0.00 O ATOM 0 H ASP A 62 -11.929 -9.181 2.446 1.00 0.00 H new ATOM 0 HA ASP A 62 -9.057 -9.097 3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -9.565 -11.660 3.234 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.103 -10.579 4.504 1.00 0.00 H new ATOM 908 N LEU A 63 -8.246 -9.707 0.798 1.00 0.00 N ATOM 909 CA LEU A 63 -7.709 -10.087 -0.504 1.00 0.00 C ATOM 910 C LEU A 63 -6.533 -11.047 -0.349 1.00 0.00 C ATOM 911 O LEU A 63 -5.811 -11.003 0.648 1.00 0.00 O ATOM 912 CB LEU A 63 -7.270 -8.845 -1.279 1.00 0.00 C ATOM 913 CG LEU A 63 -8.201 -7.634 -1.192 1.00 0.00 C ATOM 914 CD1 LEU A 63 -7.532 -6.402 -1.780 1.00 0.00 C ATOM 915 CD2 LEU A 63 -9.515 -7.920 -1.902 1.00 0.00 C ATOM 0 H LEU A 63 -7.625 -9.121 1.356 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.497 -10.594 -1.060 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.285 -8.547 -0.920 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.158 -9.117 -2.329 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.414 -7.439 -0.141 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -8.210 -5.551 -1.709 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.618 -6.185 -1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.288 -6.585 -2.826 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -10.165 -7.048 -1.830 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -9.321 -8.142 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -10.003 -8.775 -1.434 1.00 0.00 H new ATOM 927 N ILE A 64 -6.345 -11.909 -1.342 1.00 0.00 N ATOM 928 CA ILE A 64 -5.254 -12.875 -1.317 1.00 0.00 C ATOM 929 C ILE A 64 -4.175 -12.513 -2.331 1.00 0.00 C ATOM 930 O ILE A 64 -4.451 -12.372 -3.523 1.00 0.00 O ATOM 931 CB ILE A 64 -5.758 -14.302 -1.608 1.00 0.00 C ATOM 932 CG1 ILE A 64 -6.805 -14.717 -0.573 1.00 0.00 C ATOM 933 CG2 ILE A 64 -4.596 -15.283 -1.617 1.00 0.00 C ATOM 934 CD1 ILE A 64 -6.220 -15.024 0.788 1.00 0.00 C ATOM 0 H ILE A 64 -6.934 -11.958 -2.174 1.00 0.00 H new ATOM 0 HA ILE A 64 -4.830 -12.845 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 64 -6.224 -14.313 -2.593 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.540 -13.919 -0.472 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -7.336 -15.596 -0.938 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.968 -16.286 -1.824 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -3.882 -14.995 -2.389 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.103 -15.272 -0.645 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.019 -15.311 1.471 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -5.506 -15.843 0.701 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -5.713 -14.140 1.174 1.00 0.00 H new ATOM 946 N ILE A 65 -2.945 -12.365 -1.851 1.00 0.00 N ATOM 947 CA ILE A 65 -1.823 -12.022 -2.716 1.00 0.00 C ATOM 948 C ILE A 65 -0.735 -13.089 -2.656 1.00 0.00 C ATOM 949 O ILE A 65 -0.003 -13.189 -1.672 1.00 0.00 O ATOM 950 CB ILE A 65 -1.213 -10.661 -2.334 1.00 0.00 C ATOM 951 CG1 ILE A 65 -2.311 -9.601 -2.214 1.00 0.00 C ATOM 952 CG2 ILE A 65 -0.172 -10.239 -3.361 1.00 0.00 C ATOM 953 CD1 ILE A 65 -1.823 -8.289 -1.639 1.00 0.00 C ATOM 0 H ILE A 65 -2.700 -12.477 -0.867 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.215 -11.963 -3.731 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.721 -10.759 -1.366 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.739 -9.420 -3.200 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.112 -9.989 -1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.250 -9.275 -3.077 1.00 0.00 H new ATOM 0 HG22 ILE A 65 0.622 -10.985 -3.402 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -0.641 -10.155 -4.341 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -2.653 -7.585 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.421 -8.457 -0.640 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -1.042 -7.879 -2.280 1.00 0.00 H new ATOM 965 N LYS A 66 -0.635 -13.884 -3.717 1.00 0.00 N ATOM 966 CA LYS A 66 0.365 -14.943 -3.787 1.00 0.00 C ATOM 967 C LYS A 66 0.037 -16.067 -2.810 1.00 0.00 C ATOM 968 O LYS A 66 0.850 -16.963 -2.584 1.00 0.00 O ATOM 969 CB LYS A 66 1.756 -14.379 -3.485 1.00 0.00 C ATOM 970 CG LYS A 66 2.079 -13.111 -4.255 1.00 0.00 C ATOM 971 CD LYS A 66 3.470 -12.597 -3.922 1.00 0.00 C ATOM 972 CE LYS A 66 4.551 -13.468 -4.543 1.00 0.00 C ATOM 973 NZ LYS A 66 5.878 -12.794 -4.537 1.00 0.00 N ATOM 0 H LYS A 66 -1.234 -13.815 -4.540 1.00 0.00 H new ATOM 0 HA LYS A 66 0.356 -15.351 -4.798 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.832 -14.175 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 66 2.504 -15.136 -3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.008 -13.306 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 66 1.341 -12.344 -4.021 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.576 -11.573 -4.281 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.600 -12.571 -2.840 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.619 -14.408 -3.996 1.00 0.00 H new ATOM 0 HE3 LYS A 66 4.274 -13.715 -5.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.587 -13.420 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 5.820 -11.909 -5.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.155 -12.581 -3.557 1.00 0.00 H new ATOM 987 N GLY A 67 -1.161 -16.015 -2.235 1.00 0.00 N ATOM 988 CA GLY A 67 -1.575 -17.035 -1.291 1.00 0.00 C ATOM 989 C GLY A 67 -1.847 -16.472 0.090 1.00 0.00 C ATOM 990 O GLY A 67 -2.700 -16.981 0.819 1.00 0.00 O ATOM 0 H GLY A 67 -1.852 -15.284 -2.407 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.474 -17.526 -1.663 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -0.800 -17.798 -1.222 1.00 0.00 H new ATOM 994 N ILE A 68 -1.119 -15.421 0.452 1.00 0.00 N ATOM 995 CA ILE A 68 -1.286 -14.789 1.756 1.00 0.00 C ATOM 996 C ILE A 68 -2.508 -13.877 1.771 1.00 0.00 C ATOM 997 O ILE A 68 -2.915 -13.349 0.736 1.00 0.00 O ATOM 998 CB ILE A 68 -0.042 -13.971 2.147 1.00 0.00 C ATOM 999 CG1 ILE A 68 0.067 -12.718 1.275 1.00 0.00 C ATOM 1000 CG2 ILE A 68 1.213 -14.820 2.021 1.00 0.00 C ATOM 1001 CD1 ILE A 68 -0.276 -11.440 2.008 1.00 0.00 C ATOM 0 H ILE A 68 -0.408 -14.989 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 68 -1.426 -15.590 2.481 1.00 0.00 H new ATOM 0 HB ILE A 68 -0.143 -13.660 3.187 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.083 -12.643 0.886 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.596 -12.824 0.416 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.083 -14.227 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.135 -15.684 2.681 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.321 -15.159 0.991 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.177 -10.593 1.329 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -1.301 -11.494 2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 68 0.403 -11.310 2.851 1.00 0.00 H new ATOM 1013 N SER A 69 -3.087 -13.693 2.954 1.00 0.00 N ATOM 1014 CA SER A 69 -4.263 -12.845 3.105 1.00 0.00 C ATOM 1015 C SER A 69 -3.904 -11.538 3.804 1.00 0.00 C ATOM 1016 O SER A 69 -3.287 -11.539 4.869 1.00 0.00 O ATOM 1017 CB SER A 69 -5.349 -13.579 3.895 1.00 0.00 C ATOM 1018 OG SER A 69 -6.471 -12.743 4.118 1.00 0.00 O ATOM 0 H SER A 69 -2.761 -14.120 3.821 1.00 0.00 H new ATOM 0 HA SER A 69 -4.643 -12.612 2.110 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.659 -14.471 3.351 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.945 -13.913 4.851 1.00 0.00 H new ATOM 0 HG SER A 69 -7.151 -13.236 4.623 1.00 0.00 H new ATOM 1024 N VAL A 70 -4.296 -10.422 3.197 1.00 0.00 N ATOM 1025 CA VAL A 70 -4.018 -9.107 3.761 1.00 0.00 C ATOM 1026 C VAL A 70 -5.309 -8.372 4.103 1.00 0.00 C ATOM 1027 O VAL A 70 -6.344 -8.583 3.471 1.00 0.00 O ATOM 1028 CB VAL A 70 -3.191 -8.244 2.789 1.00 0.00 C ATOM 1029 CG1 VAL A 70 -1.878 -8.932 2.449 1.00 0.00 C ATOM 1030 CG2 VAL A 70 -3.989 -7.947 1.529 1.00 0.00 C ATOM 0 H VAL A 70 -4.807 -10.403 2.315 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.443 -9.268 4.673 1.00 0.00 H new ATOM 0 HB VAL A 70 -2.961 -7.297 3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.307 -8.308 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.302 -9.088 3.361 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -2.082 -9.895 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.389 -7.336 0.854 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.251 -8.883 1.035 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.899 -7.409 1.793 1.00 0.00 H new ATOM 1040 N HIS A 71 -5.241 -7.505 5.109 1.00 0.00 N ATOM 1041 CA HIS A 71 -6.404 -6.737 5.536 1.00 0.00 C ATOM 1042 C HIS A 71 -6.273 -5.275 5.118 1.00 0.00 C ATOM 1043 O HIS A 71 -5.435 -4.542 5.645 1.00 0.00 O ATOM 1044 CB HIS A 71 -6.576 -6.832 7.053 1.00 0.00 C ATOM 1045 CG HIS A 71 -7.604 -5.889 7.599 1.00 0.00 C ATOM 1046 ND1 HIS A 71 -8.760 -6.313 8.220 1.00 0.00 N ATOM 1047 CD2 HIS A 71 -7.643 -4.536 7.617 1.00 0.00 C ATOM 1048 CE1 HIS A 71 -9.466 -5.261 8.594 1.00 0.00 C ATOM 1049 NE2 HIS A 71 -8.810 -4.171 8.241 1.00 0.00 N ATOM 0 H HIS A 71 -4.392 -7.317 5.643 1.00 0.00 H new ATOM 0 HA HIS A 71 -7.285 -7.158 5.051 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -6.855 -7.852 7.316 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.618 -6.630 7.532 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -6.895 -3.868 7.215 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -10.418 -5.288 9.102 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -9.120 -3.213 8.405 1.00 0.00 H new ATOM 1057 N ILE A 72 -7.104 -4.858 4.171 1.00 0.00 N ATOM 1058 CA ILE A 72 -7.081 -3.485 3.683 1.00 0.00 C ATOM 1059 C ILE A 72 -7.735 -2.535 4.682 1.00 0.00 C ATOM 1060 O ILE A 72 -8.889 -2.721 5.065 1.00 0.00 O ATOM 1061 CB ILE A 72 -7.797 -3.356 2.325 1.00 0.00 C ATOM 1062 CG1 ILE A 72 -7.309 -4.440 1.363 1.00 0.00 C ATOM 1063 CG2 ILE A 72 -7.567 -1.973 1.735 1.00 0.00 C ATOM 1064 CD1 ILE A 72 -5.865 -4.272 0.943 1.00 0.00 C ATOM 0 H ILE A 72 -7.803 -5.452 3.725 1.00 0.00 H new ATOM 0 HA ILE A 72 -6.033 -3.213 3.558 1.00 0.00 H new ATOM 0 HB ILE A 72 -8.868 -3.490 2.480 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -7.430 -5.415 1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -7.940 -4.436 0.474 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.079 -1.897 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -7.958 -1.217 2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -6.499 -1.812 1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.588 -5.076 0.261 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -5.741 -3.312 0.441 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -5.224 -4.306 1.824 1.00 0.00 H new ATOM 1076 N SER A 73 -6.989 -1.517 5.098 1.00 0.00 N ATOM 1077 CA SER A 73 -7.495 -0.539 6.054 1.00 0.00 C ATOM 1078 C SER A 73 -7.082 0.874 5.655 1.00 0.00 C ATOM 1079 O SER A 73 -6.286 1.065 4.736 1.00 0.00 O ATOM 1080 CB SER A 73 -6.981 -0.856 7.460 1.00 0.00 C ATOM 1081 OG SER A 73 -5.570 -0.974 7.472 1.00 0.00 O ATOM 0 H SER A 73 -6.032 -1.348 4.788 1.00 0.00 H new ATOM 0 HA SER A 73 -8.584 -0.594 6.052 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.289 -0.070 8.149 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.430 -1.784 7.814 1.00 0.00 H new ATOM 0 HG SER A 73 -5.266 -1.175 8.382 1.00 0.00 H new