USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 508 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 25 TYR OH : rot -26:sc= 0.608 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -146:sc= 0.614 (180deg=-0.297) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -144:sc= 0.668 (180deg=-0.163) USER MOD Single : A 17 SER OG : rot 88:sc= 0.0258 USER MOD Single : A 21 SER OG : rot 40:sc= 0.313 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -117:sc= 0.777 (180deg=0.244) USER MOD Single : A 35 THR OG1 : rot -23:sc= 0.0815 USER MOD Single : A 42 LYS NZ :NH3+ -168:sc=-0.00438 (180deg=-0.142) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 63:sc= 0.168 USER MOD Single : A 46 LYS NZ :NH3+ -177:sc= 0.21 (180deg=0.201) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 123 N MET A 9 19.210 -10.161 2.838 1.00 0.00 N ATOM 124 CA MET A 9 19.282 -11.509 2.233 1.00 0.00 C ATOM 125 C MET A 9 20.521 -12.245 2.749 1.00 0.00 C ATOM 126 O MET A 9 21.583 -11.637 2.942 1.00 0.00 O ATOM 127 CB MET A 9 19.313 -11.427 0.681 1.00 0.00 C ATOM 128 CG MET A 9 17.994 -10.981 0.048 1.00 0.00 C ATOM 129 SD MET A 9 18.031 -10.997 -1.758 1.00 0.00 S ATOM 130 CE MET A 9 16.322 -10.604 -2.137 1.00 0.00 C ATOM 0 HA MET A 9 18.388 -12.062 2.522 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.099 -10.734 0.381 1.00 0.00 H new ATOM 0 HB3 MET A 9 19.581 -12.405 0.282 1.00 0.00 H new ATOM 0 HG2 MET A 9 17.193 -11.634 0.394 1.00 0.00 H new ATOM 0 HG3 MET A 9 17.756 -9.974 0.391 1.00 0.00 H new ATOM 0 HE1 MET A 9 16.186 -10.577 -3.218 1.00 0.00 H new ATOM 0 HE2 MET A 9 15.670 -11.365 -1.708 1.00 0.00 H new ATOM 0 HE3 MET A 9 16.070 -9.631 -1.715 1.00 0.00 H new ATOM 140 N TYR A 10 20.375 -13.562 2.948 1.00 0.00 N ATOM 141 CA TYR A 10 21.439 -14.415 3.489 1.00 0.00 C ATOM 142 C TYR A 10 22.549 -14.606 2.448 1.00 0.00 C ATOM 143 O TYR A 10 22.345 -15.237 1.410 1.00 0.00 O ATOM 144 CB TYR A 10 20.859 -15.772 3.952 1.00 0.00 C ATOM 145 CG TYR A 10 19.953 -15.643 5.182 1.00 0.00 C ATOM 146 CD1 TYR A 10 20.500 -15.612 6.470 1.00 0.00 C ATOM 147 CD2 TYR A 10 18.562 -15.540 5.066 1.00 0.00 C ATOM 148 CE1 TYR A 10 19.701 -15.482 7.587 1.00 0.00 C ATOM 149 CE2 TYR A 10 17.759 -15.407 6.186 1.00 0.00 C ATOM 150 CZ TYR A 10 18.332 -15.383 7.442 1.00 0.00 C ATOM 151 OH TYR A 10 17.531 -15.258 8.560 1.00 0.00 O ATOM 0 H TYR A 10 19.513 -14.066 2.738 1.00 0.00 H new ATOM 0 HA TYR A 10 21.877 -13.926 4.359 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.292 -16.218 3.134 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.679 -16.453 4.180 1.00 0.00 H new ATOM 0 HD1 TYR A 10 21.570 -15.692 6.592 1.00 0.00 H new ATOM 0 HD2 TYR A 10 18.108 -15.565 4.087 1.00 0.00 H new ATOM 0 HE1 TYR A 10 20.145 -15.458 8.571 1.00 0.00 H new ATOM 0 HE2 TYR A 10 16.688 -15.322 6.078 1.00 0.00 H new ATOM 0 HH TYR A 10 16.592 -15.199 8.285 1.00 0.00 H new ATOM 161 N VAL A 11 23.708 -14.011 2.736 1.00 0.00 N ATOM 162 CA VAL A 11 24.892 -14.087 1.884 1.00 0.00 C ATOM 163 C VAL A 11 25.607 -15.438 2.101 1.00 0.00 C ATOM 164 O VAL A 11 25.901 -15.808 3.234 1.00 0.00 O ATOM 165 CB VAL A 11 25.854 -12.883 2.187 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.114 -12.908 1.297 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.106 -11.530 2.053 1.00 0.00 C ATOM 0 H VAL A 11 23.851 -13.456 3.580 1.00 0.00 H new ATOM 0 HA VAL A 11 24.590 -14.023 0.839 1.00 0.00 H new ATOM 0 HB VAL A 11 26.189 -12.990 3.219 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.749 -12.057 1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.664 -13.833 1.471 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.820 -12.852 0.249 1.00 0.00 H new ATOM 0 HG21 VAL A 11 25.793 -10.712 2.268 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.723 -11.425 1.038 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.276 -11.502 2.759 1.00 0.00 H new ATOM 177 N PHE A 12 25.817 -16.189 1.009 1.00 0.00 N ATOM 178 CA PHE A 12 26.564 -17.461 1.013 1.00 0.00 C ATOM 179 C PHE A 12 27.856 -17.285 0.205 1.00 0.00 C ATOM 180 O PHE A 12 27.801 -16.922 -0.971 1.00 0.00 O ATOM 181 CB PHE A 12 25.715 -18.613 0.402 1.00 0.00 C ATOM 182 CG PHE A 12 24.491 -19.023 1.229 1.00 0.00 C ATOM 183 CD1 PHE A 12 23.343 -18.239 1.244 1.00 0.00 C ATOM 184 CD2 PHE A 12 24.492 -20.190 1.996 1.00 0.00 C ATOM 185 CE1 PHE A 12 22.241 -18.604 1.996 1.00 0.00 C ATOM 186 CE2 PHE A 12 23.387 -20.554 2.744 1.00 0.00 C ATOM 187 CZ PHE A 12 22.262 -19.759 2.745 1.00 0.00 C ATOM 0 H PHE A 12 25.470 -15.929 0.086 1.00 0.00 H new ATOM 0 HA PHE A 12 26.799 -17.726 2.044 1.00 0.00 H new ATOM 0 HB2 PHE A 12 25.380 -18.311 -0.590 1.00 0.00 H new ATOM 0 HB3 PHE A 12 26.355 -19.486 0.270 1.00 0.00 H new ATOM 0 HD1 PHE A 12 23.311 -17.331 0.660 1.00 0.00 H new ATOM 0 HD2 PHE A 12 25.370 -20.819 2.005 1.00 0.00 H new ATOM 0 HE1 PHE A 12 21.360 -17.980 1.996 1.00 0.00 H new ATOM 0 HE2 PHE A 12 23.406 -21.462 3.328 1.00 0.00 H new ATOM 0 HZ PHE A 12 21.400 -20.041 3.331 1.00 0.00 H new ATOM 197 N LYS A 13 29.013 -17.526 0.838 1.00 0.00 N ATOM 198 CA LYS A 13 30.316 -17.483 0.164 1.00 0.00 C ATOM 199 C LYS A 13 30.590 -18.838 -0.521 1.00 0.00 C ATOM 200 O LYS A 13 31.271 -19.712 0.022 1.00 0.00 O ATOM 201 CB LYS A 13 31.433 -17.075 1.164 1.00 0.00 C ATOM 202 CG LYS A 13 32.857 -17.044 0.565 1.00 0.00 C ATOM 203 CD LYS A 13 33.920 -16.548 1.570 1.00 0.00 C ATOM 204 CE LYS A 13 35.352 -16.793 1.084 1.00 0.00 C ATOM 205 NZ LYS A 13 35.642 -18.244 0.960 1.00 0.00 N ATOM 0 H LYS A 13 29.071 -17.756 1.830 1.00 0.00 H new ATOM 0 HA LYS A 13 30.306 -16.721 -0.615 1.00 0.00 H new ATOM 0 HB2 LYS A 13 31.201 -16.088 1.564 1.00 0.00 H new ATOM 0 HB3 LYS A 13 31.422 -17.770 2.003 1.00 0.00 H new ATOM 0 HG2 LYS A 13 33.125 -18.044 0.225 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.863 -16.397 -0.312 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.778 -15.482 1.746 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.774 -17.052 2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 13 35.498 -16.308 0.119 1.00 0.00 H new ATOM 0 HE3 LYS A 13 36.057 -16.338 1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 36.629 -18.425 1.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 35.006 -18.780 1.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 35.494 -18.545 -0.025 1.00 0.00 H new ATOM 219 N GLY A 14 29.961 -19.011 -1.694 1.00 0.00 N ATOM 220 CA GLY A 14 30.150 -20.184 -2.533 1.00 0.00 C ATOM 221 C GLY A 14 29.551 -21.447 -1.927 1.00 0.00 C ATOM 222 O GLY A 14 28.361 -21.723 -2.107 1.00 0.00 O ATOM 0 H GLY A 14 29.305 -18.332 -2.081 1.00 0.00 H new ATOM 0 HA2 GLY A 14 29.697 -20.004 -3.508 1.00 0.00 H new ATOM 0 HA3 GLY A 14 31.216 -20.337 -2.700 1.00 0.00 H new ATOM 226 N GLU A 15 30.387 -22.213 -1.209 1.00 0.00 N ATOM 227 CA GLU A 15 30.002 -23.502 -0.607 1.00 0.00 C ATOM 228 C GLU A 15 29.610 -23.341 0.880 1.00 0.00 C ATOM 229 O GLU A 15 29.027 -24.256 1.474 1.00 0.00 O ATOM 230 CB GLU A 15 31.174 -24.511 -0.747 1.00 0.00 C ATOM 231 CG GLU A 15 31.662 -24.751 -2.193 1.00 0.00 C ATOM 232 CD GLU A 15 30.566 -25.277 -3.138 1.00 0.00 C ATOM 233 OE1 GLU A 15 30.236 -26.477 -3.056 1.00 0.00 O ATOM 234 OE2 GLU A 15 30.030 -24.496 -3.963 1.00 0.00 O ATOM 0 H GLU A 15 31.357 -21.955 -1.028 1.00 0.00 H new ATOM 0 HA GLU A 15 29.128 -23.879 -1.138 1.00 0.00 H new ATOM 0 HB2 GLU A 15 32.014 -24.154 -0.151 1.00 0.00 H new ATOM 0 HB3 GLU A 15 30.864 -25.465 -0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 15 32.057 -23.817 -2.593 1.00 0.00 H new ATOM 0 HG3 GLU A 15 32.486 -25.464 -2.175 1.00 0.00 H new ATOM 241 N GLU A 16 29.927 -22.175 1.474 1.00 0.00 N ATOM 242 CA GLU A 16 29.703 -21.902 2.913 1.00 0.00 C ATOM 243 C GLU A 16 28.685 -20.764 3.069 1.00 0.00 C ATOM 244 O GLU A 16 28.540 -19.926 2.173 1.00 0.00 O ATOM 245 CB GLU A 16 31.054 -21.533 3.599 1.00 0.00 C ATOM 246 CG GLU A 16 31.634 -20.156 3.192 1.00 0.00 C ATOM 247 CD GLU A 16 33.120 -19.971 3.549 1.00 0.00 C ATOM 248 OE1 GLU A 16 33.436 -19.785 4.743 1.00 0.00 O ATOM 249 OE2 GLU A 16 33.977 -20.040 2.635 1.00 0.00 O ATOM 0 H GLU A 16 30.346 -21.392 0.972 1.00 0.00 H new ATOM 0 HA GLU A 16 29.305 -22.794 3.396 1.00 0.00 H new ATOM 0 HB2 GLU A 16 30.912 -21.547 4.680 1.00 0.00 H new ATOM 0 HB3 GLU A 16 31.787 -22.304 3.364 1.00 0.00 H new ATOM 0 HG2 GLU A 16 31.510 -20.025 2.117 1.00 0.00 H new ATOM 0 HG3 GLU A 16 31.054 -19.371 3.678 1.00 0.00 H new ATOM 256 N SER A 17 27.971 -20.747 4.203 1.00 0.00 N ATOM 257 CA SER A 17 27.056 -19.655 4.545 1.00 0.00 C ATOM 258 C SER A 17 27.869 -18.544 5.219 1.00 0.00 C ATOM 259 O SER A 17 28.405 -18.744 6.312 1.00 0.00 O ATOM 260 CB SER A 17 25.929 -20.167 5.470 1.00 0.00 C ATOM 261 OG SER A 17 24.914 -19.189 5.636 1.00 0.00 O ATOM 0 H SER A 17 28.013 -21.487 4.904 1.00 0.00 H new ATOM 0 HA SER A 17 26.581 -19.262 3.646 1.00 0.00 H new ATOM 0 HB2 SER A 17 25.496 -21.076 5.051 1.00 0.00 H new ATOM 0 HB3 SER A 17 26.345 -20.431 6.442 1.00 0.00 H new ATOM 0 HG SER A 17 24.247 -19.285 4.924 1.00 0.00 H new ATOM 267 N PHE A 18 27.989 -17.389 4.545 1.00 0.00 N ATOM 268 CA PHE A 18 28.870 -16.301 4.992 1.00 0.00 C ATOM 269 C PHE A 18 28.190 -15.477 6.110 1.00 0.00 C ATOM 270 O PHE A 18 28.714 -15.387 7.224 1.00 0.00 O ATOM 271 CB PHE A 18 29.259 -15.417 3.775 1.00 0.00 C ATOM 272 CG PHE A 18 30.313 -14.359 4.077 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.537 -14.721 4.643 1.00 0.00 C ATOM 274 CD2 PHE A 18 30.085 -13.012 3.814 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.489 -13.769 4.935 1.00 0.00 C ATOM 276 CE2 PHE A 18 31.037 -12.062 4.109 1.00 0.00 C ATOM 277 CZ PHE A 18 32.239 -12.440 4.668 1.00 0.00 C ATOM 0 H PHE A 18 27.483 -17.185 3.683 1.00 0.00 H new ATOM 0 HA PHE A 18 29.784 -16.720 5.414 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.627 -16.061 2.976 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.363 -14.923 3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.740 -15.760 4.855 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.148 -12.707 3.372 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.431 -14.064 5.373 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.842 -11.020 3.902 1.00 0.00 H new ATOM 0 HZ PHE A 18 32.986 -11.694 4.897 1.00 0.00 H new ATOM 287 N GLY A 19 26.996 -14.939 5.811 1.00 0.00 N ATOM 288 CA GLY A 19 26.247 -14.091 6.748 1.00 0.00 C ATOM 289 C GLY A 19 24.945 -13.576 6.142 1.00 0.00 C ATOM 290 O GLY A 19 24.209 -14.345 5.514 1.00 0.00 O ATOM 0 H GLY A 19 26.526 -15.080 4.917 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.026 -14.658 7.652 1.00 0.00 H new ATOM 0 HA3 GLY A 19 26.867 -13.245 7.046 1.00 0.00 H new ATOM 294 N GLU A 20 24.661 -12.274 6.339 1.00 0.00 N ATOM 295 CA GLU A 20 23.465 -11.596 5.791 1.00 0.00 C ATOM 296 C GLU A 20 23.784 -10.110 5.506 1.00 0.00 C ATOM 297 O GLU A 20 24.522 -9.480 6.260 1.00 0.00 O ATOM 298 CB GLU A 20 22.276 -11.731 6.779 1.00 0.00 C ATOM 299 CG GLU A 20 22.539 -11.126 8.176 1.00 0.00 C ATOM 300 CD GLU A 20 21.366 -11.310 9.145 1.00 0.00 C ATOM 301 OE1 GLU A 20 20.374 -10.548 9.048 1.00 0.00 O ATOM 302 OE2 GLU A 20 21.420 -12.222 10.003 1.00 0.00 O ATOM 0 H GLU A 20 25.259 -11.656 6.887 1.00 0.00 H new ATOM 0 HA GLU A 20 23.182 -12.071 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.401 -11.247 6.345 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.032 -12.787 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 20 23.430 -11.587 8.603 1.00 0.00 H new ATOM 0 HG3 GLU A 20 22.751 -10.062 8.070 1.00 0.00 H new ATOM 309 N SER A 21 23.231 -9.564 4.415 1.00 0.00 N ATOM 310 CA SER A 21 23.472 -8.173 3.990 1.00 0.00 C ATOM 311 C SER A 21 22.704 -7.181 4.901 1.00 0.00 C ATOM 312 O SER A 21 21.479 -7.095 4.834 1.00 0.00 O ATOM 313 CB SER A 21 23.044 -8.018 2.509 1.00 0.00 C ATOM 314 OG SER A 21 21.709 -8.457 2.313 1.00 0.00 O ATOM 0 H SER A 21 22.600 -10.075 3.797 1.00 0.00 H new ATOM 0 HA SER A 21 24.533 -7.942 4.081 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.134 -6.974 2.209 1.00 0.00 H new ATOM 0 HB3 SER A 21 23.716 -8.592 1.871 1.00 0.00 H new ATOM 0 HG SER A 21 21.156 -8.169 3.069 1.00 0.00 H new ATOM 320 N ILE A 22 23.436 -6.443 5.758 1.00 0.00 N ATOM 321 CA ILE A 22 22.835 -5.493 6.735 1.00 0.00 C ATOM 322 C ILE A 22 22.859 -4.055 6.163 1.00 0.00 C ATOM 323 O ILE A 22 21.885 -3.300 6.305 1.00 0.00 O ATOM 324 CB ILE A 22 23.565 -5.601 8.148 1.00 0.00 C ATOM 325 CG1 ILE A 22 22.886 -4.735 9.290 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.077 -5.305 8.036 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.348 -3.280 9.427 1.00 0.00 C ATOM 0 H ILE A 22 24.454 -6.482 5.799 1.00 0.00 H new ATOM 0 HA ILE A 22 21.791 -5.759 6.901 1.00 0.00 H new ATOM 0 HB ILE A 22 23.445 -6.640 8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 22 21.809 -4.734 9.120 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.058 -5.236 10.243 1.00 0.00 H new ATOM 0 HG21 ILE A 22 25.538 -5.389 9.020 1.00 0.00 H new ATOM 0 HG22 ILE A 22 25.539 -6.022 7.357 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.223 -4.295 7.652 1.00 0.00 H new ATOM 0 HD11 ILE A 22 22.806 -2.802 10.243 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.417 -3.256 9.638 1.00 0.00 H new ATOM 0 HD13 ILE A 22 23.150 -2.746 8.498 1.00 0.00 H new ATOM 339 N ASP A 23 23.956 -3.707 5.467 1.00 0.00 N ATOM 340 CA ASP A 23 24.213 -2.331 4.986 1.00 0.00 C ATOM 341 C ASP A 23 25.121 -2.372 3.736 1.00 0.00 C ATOM 342 O ASP A 23 25.592 -3.440 3.348 1.00 0.00 O ATOM 343 CB ASP A 23 24.860 -1.505 6.148 1.00 0.00 C ATOM 344 CG ASP A 23 25.047 -0.003 5.845 1.00 0.00 C ATOM 345 OD1 ASP A 23 24.037 0.733 5.818 1.00 0.00 O ATOM 346 OD2 ASP A 23 26.196 0.445 5.633 1.00 0.00 O ATOM 0 H ASP A 23 24.691 -4.369 5.220 1.00 0.00 H new ATOM 0 HA ASP A 23 23.280 -1.848 4.695 1.00 0.00 H new ATOM 0 HB2 ASP A 23 24.239 -1.608 7.038 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.832 -1.938 6.386 1.00 0.00 H new ATOM 351 N VAL A 24 25.317 -1.210 3.088 1.00 0.00 N ATOM 352 CA VAL A 24 26.265 -1.041 1.973 1.00 0.00 C ATOM 353 C VAL A 24 26.682 0.443 1.886 1.00 0.00 C ATOM 354 O VAL A 24 25.824 1.331 1.971 1.00 0.00 O ATOM 355 CB VAL A 24 25.668 -1.553 0.591 1.00 0.00 C ATOM 356 CG1 VAL A 24 24.288 -0.928 0.290 1.00 0.00 C ATOM 357 CG2 VAL A 24 26.660 -1.322 -0.584 1.00 0.00 C ATOM 0 H VAL A 24 24.817 -0.354 3.326 1.00 0.00 H new ATOM 0 HA VAL A 24 27.143 -1.656 2.171 1.00 0.00 H new ATOM 0 HB VAL A 24 25.521 -2.628 0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.918 -1.305 -0.663 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.588 -1.193 1.082 1.00 0.00 H new ATOM 0 HG13 VAL A 24 24.383 0.157 0.238 1.00 0.00 H new ATOM 0 HG21 VAL A 24 26.216 -1.685 -1.511 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.873 -0.257 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 24 27.587 -1.862 -0.389 1.00 0.00 H new ATOM 367 N TYR A 25 27.999 0.710 1.764 1.00 0.00 N ATOM 368 CA TYR A 25 28.534 2.077 1.559 1.00 0.00 C ATOM 369 C TYR A 25 29.617 2.032 0.462 1.00 0.00 C ATOM 370 O TYR A 25 30.486 1.147 0.473 1.00 0.00 O ATOM 371 CB TYR A 25 29.071 2.695 2.893 1.00 0.00 C ATOM 372 CG TYR A 25 30.458 2.216 3.382 1.00 0.00 C ATOM 373 CD1 TYR A 25 30.689 0.890 3.755 1.00 0.00 C ATOM 374 CD2 TYR A 25 31.541 3.102 3.472 1.00 0.00 C ATOM 375 CE1 TYR A 25 31.938 0.472 4.195 1.00 0.00 C ATOM 376 CE2 TYR A 25 32.783 2.682 3.911 1.00 0.00 C ATOM 377 CZ TYR A 25 32.978 1.369 4.271 1.00 0.00 C ATOM 378 OH TYR A 25 34.220 0.957 4.717 1.00 0.00 O ATOM 0 H TYR A 25 28.720 -0.010 1.804 1.00 0.00 H new ATOM 0 HA TYR A 25 27.728 2.733 1.230 1.00 0.00 H new ATOM 0 HB2 TYR A 25 29.110 3.778 2.773 1.00 0.00 H new ATOM 0 HB3 TYR A 25 28.345 2.487 3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 25 29.881 0.176 3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 25 31.402 4.136 3.192 1.00 0.00 H new ATOM 0 HE1 TYR A 25 32.093 -0.559 4.478 1.00 0.00 H new ATOM 0 HE2 TYR A 25 33.600 3.385 3.971 1.00 0.00 H new ATOM 0 HH TYR A 25 34.115 0.178 5.303 1.00 0.00 H new ATOM 388 N GLY A 26 29.546 2.981 -0.490 1.00 0.00 N ATOM 389 CA GLY A 26 30.450 3.004 -1.640 1.00 0.00 C ATOM 390 C GLY A 26 30.238 1.801 -2.556 1.00 0.00 C ATOM 391 O GLY A 26 29.235 1.724 -3.264 1.00 0.00 O ATOM 0 H GLY A 26 28.867 3.742 -0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 26 30.294 3.923 -2.206 1.00 0.00 H new ATOM 0 HA3 GLY A 26 31.482 3.016 -1.290 1.00 0.00 H new ATOM 395 N ASP A 27 31.174 0.839 -2.500 1.00 0.00 N ATOM 396 CA ASP A 27 31.121 -0.410 -3.293 1.00 0.00 C ATOM 397 C ASP A 27 31.033 -1.634 -2.351 1.00 0.00 C ATOM 398 O ASP A 27 30.947 -2.785 -2.790 1.00 0.00 O ATOM 399 CB ASP A 27 32.399 -0.493 -4.180 1.00 0.00 C ATOM 400 CG ASP A 27 32.355 -1.624 -5.230 1.00 0.00 C ATOM 401 OD1 ASP A 27 31.720 -1.434 -6.297 1.00 0.00 O ATOM 402 OD2 ASP A 27 32.951 -2.701 -5.000 1.00 0.00 O ATOM 0 H ASP A 27 31.996 0.902 -1.900 1.00 0.00 H new ATOM 0 HA ASP A 27 30.236 -0.409 -3.930 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.538 0.460 -4.691 1.00 0.00 H new ATOM 0 HB3 ASP A 27 33.267 -0.640 -3.538 1.00 0.00 H new ATOM 407 N TYR A 28 31.038 -1.370 -1.041 1.00 0.00 N ATOM 408 CA TYR A 28 31.240 -2.407 -0.021 1.00 0.00 C ATOM 409 C TYR A 28 29.918 -2.766 0.653 1.00 0.00 C ATOM 410 O TYR A 28 29.383 -1.990 1.459 1.00 0.00 O ATOM 411 CB TYR A 28 32.278 -1.907 1.010 1.00 0.00 C ATOM 412 CG TYR A 28 33.528 -1.311 0.350 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.401 -2.108 -0.397 1.00 0.00 C ATOM 414 CD2 TYR A 28 33.815 0.053 0.449 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.513 -1.566 -1.004 1.00 0.00 C ATOM 416 CE2 TYR A 28 34.924 0.595 -0.159 1.00 0.00 C ATOM 417 CZ TYR A 28 35.769 -0.215 -0.882 1.00 0.00 C ATOM 418 OH TYR A 28 36.880 0.331 -1.486 1.00 0.00 O ATOM 0 H TYR A 28 30.903 -0.435 -0.657 1.00 0.00 H new ATOM 0 HA TYR A 28 31.619 -3.313 -0.493 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.816 -1.155 1.649 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.572 -2.735 1.654 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.201 -3.164 -0.500 1.00 0.00 H new ATOM 0 HD2 TYR A 28 33.154 0.694 1.013 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.181 -2.195 -1.573 1.00 0.00 H new ATOM 0 HE2 TYR A 28 35.130 1.651 -0.069 1.00 0.00 H new ATOM 0 HH TYR A 28 36.912 1.293 -1.303 1.00 0.00 H new ATOM 428 N LEU A 29 29.398 -3.949 0.300 1.00 0.00 N ATOM 429 CA LEU A 29 28.217 -4.534 0.930 1.00 0.00 C ATOM 430 C LEU A 29 28.619 -5.092 2.302 1.00 0.00 C ATOM 431 O LEU A 29 29.317 -6.115 2.394 1.00 0.00 O ATOM 432 CB LEU A 29 27.622 -5.660 0.035 1.00 0.00 C ATOM 433 CG LEU A 29 26.322 -6.341 0.576 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.129 -5.359 0.590 1.00 0.00 C ATOM 435 CD2 LEU A 29 25.988 -7.621 -0.225 1.00 0.00 C ATOM 0 H LEU A 29 29.793 -4.530 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 29 27.450 -3.769 1.055 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.409 -5.242 -0.949 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.382 -6.429 -0.103 1.00 0.00 H new ATOM 0 HG LEU A 29 26.511 -6.635 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.244 -5.867 0.972 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.364 -4.510 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.936 -5.006 -0.423 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.080 -8.073 0.173 1.00 0.00 H new ATOM 0 HD22 LEU A 29 25.836 -7.365 -1.274 1.00 0.00 H new ATOM 0 HD23 LEU A 29 26.813 -8.329 -0.140 1.00 0.00 H new ATOM 447 N ILE A 30 28.212 -4.367 3.353 1.00 0.00 N ATOM 448 CA ILE A 30 28.437 -4.762 4.747 1.00 0.00 C ATOM 449 C ILE A 30 27.586 -5.998 5.056 1.00 0.00 C ATOM 450 O ILE A 30 26.347 -5.915 5.133 1.00 0.00 O ATOM 451 CB ILE A 30 28.072 -3.605 5.760 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.817 -2.286 5.398 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.372 -4.023 7.225 1.00 0.00 C ATOM 454 CD1 ILE A 30 30.320 -2.384 5.504 1.00 0.00 C ATOM 0 H ILE A 30 27.713 -3.483 3.257 1.00 0.00 H new ATOM 0 HA ILE A 30 29.498 -4.982 4.869 1.00 0.00 H new ATOM 0 HB ILE A 30 27.001 -3.422 5.677 1.00 0.00 H new ATOM 0 HG12 ILE A 30 28.552 -1.998 4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.467 -1.490 6.056 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.110 -3.206 7.897 1.00 0.00 H new ATOM 0 HG22 ILE A 30 27.784 -4.905 7.479 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.433 -4.252 7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 30 30.767 -1.426 5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.597 -2.640 6.527 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.683 -3.156 4.826 1.00 0.00 H new ATOM 466 N VAL A 31 28.253 -7.147 5.163 1.00 0.00 N ATOM 467 CA VAL A 31 27.612 -8.409 5.507 1.00 0.00 C ATOM 468 C VAL A 31 27.835 -8.696 7.001 1.00 0.00 C ATOM 469 O VAL A 31 28.976 -8.860 7.453 1.00 0.00 O ATOM 470 CB VAL A 31 28.148 -9.594 4.620 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.413 -10.911 4.945 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.050 -9.253 3.113 1.00 0.00 C ATOM 0 H VAL A 31 29.259 -7.225 5.012 1.00 0.00 H new ATOM 0 HA VAL A 31 26.544 -8.325 5.308 1.00 0.00 H new ATOM 0 HB VAL A 31 29.202 -9.737 4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.805 -11.711 4.317 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.567 -11.165 5.994 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.347 -10.789 4.754 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.427 -10.090 2.525 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.009 -9.065 2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.644 -8.364 2.902 1.00 0.00 H new ATOM 482 N LYS A 32 26.724 -8.728 7.749 1.00 0.00 N ATOM 483 CA LYS A 32 26.699 -9.092 9.167 1.00 0.00 C ATOM 484 C LYS A 32 26.927 -10.614 9.275 1.00 0.00 C ATOM 485 O LYS A 32 26.067 -11.417 8.900 1.00 0.00 O ATOM 486 CB LYS A 32 25.324 -8.656 9.762 1.00 0.00 C ATOM 487 CG LYS A 32 25.000 -9.129 11.196 1.00 0.00 C ATOM 488 CD LYS A 32 26.070 -8.749 12.243 1.00 0.00 C ATOM 489 CE LYS A 32 25.611 -9.046 13.681 1.00 0.00 C ATOM 490 NZ LYS A 32 25.143 -10.445 13.845 1.00 0.00 N ATOM 0 H LYS A 32 25.803 -8.497 7.377 1.00 0.00 H new ATOM 0 HA LYS A 32 27.483 -8.590 9.733 1.00 0.00 H new ATOM 0 HB2 LYS A 32 25.278 -7.567 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 32 24.538 -9.019 9.100 1.00 0.00 H new ATOM 0 HG2 LYS A 32 24.043 -8.704 11.500 1.00 0.00 H new ATOM 0 HG3 LYS A 32 24.881 -10.212 11.191 1.00 0.00 H new ATOM 0 HD2 LYS A 32 26.989 -9.298 12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 32 26.305 -7.689 12.151 1.00 0.00 H new ATOM 0 HE2 LYS A 32 26.435 -8.858 14.369 1.00 0.00 H new ATOM 0 HE3 LYS A 32 24.807 -8.362 13.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.136 -10.446 14.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 25.270 -10.961 12.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 25.694 -10.910 14.594 1.00 0.00 H new ATOM 504 N VAL A 33 28.132 -10.975 9.748 1.00 0.00 N ATOM 505 CA VAL A 33 28.620 -12.360 9.809 1.00 0.00 C ATOM 506 C VAL A 33 28.784 -12.815 11.280 1.00 0.00 C ATOM 507 O VAL A 33 29.864 -12.714 11.878 1.00 0.00 O ATOM 508 CB VAL A 33 29.958 -12.518 8.963 1.00 0.00 C ATOM 509 CG1 VAL A 33 29.665 -12.344 7.460 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.064 -11.517 9.387 1.00 0.00 C ATOM 0 H VAL A 33 28.806 -10.298 10.105 1.00 0.00 H new ATOM 0 HA VAL A 33 27.881 -13.020 9.356 1.00 0.00 H new ATOM 0 HB VAL A 33 30.331 -13.523 9.162 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.590 -12.455 6.894 1.00 0.00 H new ATOM 0 HG12 VAL A 33 28.950 -13.101 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.248 -11.353 7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 33 31.951 -11.674 8.774 1.00 0.00 H new ATOM 0 HG22 VAL A 33 30.704 -10.497 9.250 1.00 0.00 H new ATOM 0 HG23 VAL A 33 31.315 -11.675 10.436 1.00 0.00 H new ATOM 520 N GLY A 34 27.657 -13.264 11.868 1.00 0.00 N ATOM 521 CA GLY A 34 27.625 -13.801 13.232 1.00 0.00 C ATOM 522 C GLY A 34 27.808 -12.737 14.313 1.00 0.00 C ATOM 523 O GLY A 34 26.832 -12.259 14.890 1.00 0.00 O ATOM 0 H GLY A 34 26.747 -13.262 11.406 1.00 0.00 H new ATOM 0 HA2 GLY A 34 26.674 -14.309 13.391 1.00 0.00 H new ATOM 0 HA3 GLY A 34 28.408 -14.552 13.336 1.00 0.00 H new ATOM 527 N THR A 35 29.072 -12.369 14.581 1.00 0.00 N ATOM 528 CA THR A 35 29.438 -11.359 15.597 1.00 0.00 C ATOM 529 C THR A 35 30.247 -10.208 14.961 1.00 0.00 C ATOM 530 O THR A 35 30.460 -9.166 15.595 1.00 0.00 O ATOM 531 CB THR A 35 30.240 -12.021 16.778 1.00 0.00 C ATOM 532 OG1 THR A 35 30.444 -11.081 17.853 1.00 0.00 O ATOM 533 CG2 THR A 35 31.605 -12.595 16.334 1.00 0.00 C ATOM 0 H THR A 35 29.877 -12.765 14.097 1.00 0.00 H new ATOM 0 HA THR A 35 28.518 -10.940 16.005 1.00 0.00 H new ATOM 0 HB THR A 35 29.629 -12.854 17.125 1.00 0.00 H new ATOM 0 HG1 THR A 35 30.389 -10.167 17.503 1.00 0.00 H new ATOM 0 HG21 THR A 35 32.110 -13.038 17.192 1.00 0.00 H new ATOM 0 HG22 THR A 35 31.448 -13.358 15.572 1.00 0.00 H new ATOM 0 HG23 THR A 35 32.221 -11.794 15.924 1.00 0.00 H new ATOM 541 N GLU A 36 30.682 -10.402 13.701 1.00 0.00 N ATOM 542 CA GLU A 36 31.498 -9.421 12.958 1.00 0.00 C ATOM 543 C GLU A 36 30.691 -8.818 11.794 1.00 0.00 C ATOM 544 O GLU A 36 29.523 -9.173 11.575 1.00 0.00 O ATOM 545 CB GLU A 36 32.787 -10.109 12.415 1.00 0.00 C ATOM 546 CG GLU A 36 33.698 -10.740 13.490 1.00 0.00 C ATOM 547 CD GLU A 36 34.174 -9.734 14.555 1.00 0.00 C ATOM 548 OE1 GLU A 36 34.801 -8.717 14.186 1.00 0.00 O ATOM 549 OE2 GLU A 36 33.928 -9.954 15.762 1.00 0.00 O ATOM 0 H GLU A 36 30.477 -11.247 13.167 1.00 0.00 H new ATOM 0 HA GLU A 36 31.780 -8.616 13.636 1.00 0.00 H new ATOM 0 HB2 GLU A 36 32.495 -10.885 11.708 1.00 0.00 H new ATOM 0 HB3 GLU A 36 33.366 -9.372 11.858 1.00 0.00 H new ATOM 0 HG2 GLU A 36 33.160 -11.551 13.981 1.00 0.00 H new ATOM 0 HG3 GLU A 36 34.568 -11.183 13.004 1.00 0.00 H new ATOM 556 N PHE A 37 31.327 -7.875 11.073 1.00 0.00 N ATOM 557 CA PHE A 37 30.821 -7.330 9.800 1.00 0.00 C ATOM 558 C PHE A 37 31.999 -7.298 8.808 1.00 0.00 C ATOM 559 O PHE A 37 32.954 -6.531 9.006 1.00 0.00 O ATOM 560 CB PHE A 37 30.257 -5.887 9.963 1.00 0.00 C ATOM 561 CG PHE A 37 29.130 -5.691 10.992 1.00 0.00 C ATOM 562 CD1 PHE A 37 29.405 -5.640 12.361 1.00 0.00 C ATOM 563 CD2 PHE A 37 27.808 -5.503 10.588 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.400 -5.431 13.286 1.00 0.00 C ATOM 565 CE2 PHE A 37 26.803 -5.285 11.513 1.00 0.00 C ATOM 566 CZ PHE A 37 27.102 -5.242 12.862 1.00 0.00 C ATOM 0 H PHE A 37 32.216 -7.466 11.362 1.00 0.00 H new ATOM 0 HA PHE A 37 30.006 -7.961 9.446 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.082 -5.229 10.235 1.00 0.00 H new ATOM 0 HB3 PHE A 37 29.891 -5.554 8.992 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.422 -5.766 12.702 1.00 0.00 H new ATOM 0 HD2 PHE A 37 27.565 -5.528 9.536 1.00 0.00 H new ATOM 0 HE1 PHE A 37 28.631 -5.416 14.341 1.00 0.00 H new ATOM 0 HE2 PHE A 37 25.784 -5.148 11.181 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.319 -5.060 13.583 1.00 0.00 H new ATOM 576 N LEU A 38 31.959 -8.152 7.772 1.00 0.00 N ATOM 577 CA LEU A 38 32.952 -8.138 6.675 1.00 0.00 C ATOM 578 C LEU A 38 32.294 -7.529 5.431 1.00 0.00 C ATOM 579 O LEU A 38 31.219 -7.968 5.002 1.00 0.00 O ATOM 580 CB LEU A 38 33.526 -9.560 6.379 1.00 0.00 C ATOM 581 CG LEU A 38 34.797 -9.983 7.197 1.00 0.00 C ATOM 582 CD1 LEU A 38 34.523 -10.051 8.714 1.00 0.00 C ATOM 583 CD2 LEU A 38 35.381 -11.317 6.670 1.00 0.00 C ATOM 0 H LEU A 38 31.242 -8.870 7.668 1.00 0.00 H new ATOM 0 HA LEU A 38 33.805 -7.530 6.977 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.740 -10.292 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.768 -9.617 5.318 1.00 0.00 H new ATOM 0 HG LEU A 38 35.545 -9.204 7.048 1.00 0.00 H new ATOM 0 HD11 LEU A 38 35.433 -10.348 9.235 1.00 0.00 H new ATOM 0 HD12 LEU A 38 34.204 -9.072 9.070 1.00 0.00 H new ATOM 0 HD13 LEU A 38 33.738 -10.782 8.910 1.00 0.00 H new ATOM 0 HD21 LEU A 38 36.261 -11.586 7.255 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.631 -12.103 6.760 1.00 0.00 H new ATOM 0 HD23 LEU A 38 35.663 -11.203 5.623 1.00 0.00 H new ATOM 595 N ALA A 39 32.958 -6.511 4.874 1.00 0.00 N ATOM 596 CA ALA A 39 32.436 -5.698 3.773 1.00 0.00 C ATOM 597 C ALA A 39 32.946 -6.227 2.427 1.00 0.00 C ATOM 598 O ALA A 39 34.098 -5.975 2.050 1.00 0.00 O ATOM 599 CB ALA A 39 32.861 -4.247 3.990 1.00 0.00 C ATOM 0 H ALA A 39 33.888 -6.225 5.181 1.00 0.00 H new ATOM 0 HA ALA A 39 31.348 -5.754 3.755 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.479 -3.630 3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.459 -3.888 4.937 1.00 0.00 H new ATOM 0 HB3 ALA A 39 33.949 -4.186 4.011 1.00 0.00 H new ATOM 605 N VAL A 40 32.091 -6.979 1.722 1.00 0.00 N ATOM 606 CA VAL A 40 32.435 -7.577 0.423 1.00 0.00 C ATOM 607 C VAL A 40 32.179 -6.554 -0.713 1.00 0.00 C ATOM 608 O VAL A 40 31.175 -5.840 -0.672 1.00 0.00 O ATOM 609 CB VAL A 40 31.630 -8.918 0.180 1.00 0.00 C ATOM 610 CG1 VAL A 40 31.880 -9.904 1.340 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.110 -8.679 -0.024 1.00 0.00 C ATOM 0 H VAL A 40 31.143 -7.190 2.034 1.00 0.00 H new ATOM 0 HA VAL A 40 33.494 -7.833 0.427 1.00 0.00 H new ATOM 0 HB VAL A 40 32.000 -9.352 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.322 -10.823 1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 40 32.944 -10.132 1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.551 -9.454 2.277 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.610 -9.634 -0.186 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.695 -8.198 0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 40 29.956 -8.037 -0.891 1.00 0.00 H new ATOM 621 N PRO A 41 33.098 -6.431 -1.723 1.00 0.00 N ATOM 622 CA PRO A 41 32.862 -5.573 -2.915 1.00 0.00 C ATOM 623 C PRO A 41 31.686 -6.099 -3.770 1.00 0.00 C ATOM 624 O PRO A 41 31.311 -7.274 -3.665 1.00 0.00 O ATOM 625 CB PRO A 41 34.207 -5.650 -3.682 1.00 0.00 C ATOM 626 CG PRO A 41 34.821 -6.939 -3.234 1.00 0.00 C ATOM 627 CD PRO A 41 34.433 -7.081 -1.779 1.00 0.00 C ATOM 0 HA PRO A 41 32.581 -4.552 -2.655 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.050 -5.639 -4.761 1.00 0.00 H new ATOM 0 HB3 PRO A 41 34.848 -4.801 -3.445 1.00 0.00 H new ATOM 0 HG2 PRO A 41 34.450 -7.777 -3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 41 35.904 -6.921 -3.352 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.386 -8.126 -1.474 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.149 -6.589 -1.121 1.00 0.00 H new ATOM 635 N LYS A 42 31.114 -5.228 -4.622 1.00 0.00 N ATOM 636 CA LYS A 42 29.950 -5.589 -5.470 1.00 0.00 C ATOM 637 C LYS A 42 30.327 -6.644 -6.540 1.00 0.00 C ATOM 638 O LYS A 42 29.462 -7.388 -7.012 1.00 0.00 O ATOM 639 CB LYS A 42 29.304 -4.326 -6.125 1.00 0.00 C ATOM 640 CG LYS A 42 28.863 -3.228 -5.123 1.00 0.00 C ATOM 641 CD LYS A 42 27.861 -3.726 -4.042 1.00 0.00 C ATOM 642 CE LYS A 42 26.440 -3.963 -4.587 1.00 0.00 C ATOM 643 NZ LYS A 42 25.806 -2.691 -5.026 1.00 0.00 N ATOM 0 H LYS A 42 31.435 -4.268 -4.745 1.00 0.00 H new ATOM 0 HA LYS A 42 29.204 -6.039 -4.815 1.00 0.00 H new ATOM 0 HB2 LYS A 42 30.017 -3.893 -6.826 1.00 0.00 H new ATOM 0 HB3 LYS A 42 28.436 -4.639 -6.705 1.00 0.00 H new ATOM 0 HG2 LYS A 42 29.747 -2.826 -4.627 1.00 0.00 H new ATOM 0 HG3 LYS A 42 28.407 -2.407 -5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.236 -4.654 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 42 27.815 -2.994 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 42 26.482 -4.658 -5.425 1.00 0.00 H new ATOM 0 HE3 LYS A 42 25.827 -4.430 -3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 24.792 -2.849 -5.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 25.926 -1.970 -4.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 26.256 -2.364 -5.905 1.00 0.00 H new ATOM 657 N LYS A 43 31.627 -6.714 -6.894 1.00 0.00 N ATOM 658 CA LYS A 43 32.160 -7.728 -7.835 1.00 0.00 C ATOM 659 C LYS A 43 32.173 -9.142 -7.213 1.00 0.00 C ATOM 660 O LYS A 43 32.189 -10.143 -7.942 1.00 0.00 O ATOM 661 CB LYS A 43 33.592 -7.351 -8.299 1.00 0.00 C ATOM 662 CG LYS A 43 34.630 -7.221 -7.152 1.00 0.00 C ATOM 663 CD LYS A 43 36.091 -7.106 -7.657 1.00 0.00 C ATOM 664 CE LYS A 43 36.327 -5.927 -8.622 1.00 0.00 C ATOM 665 NZ LYS A 43 36.051 -4.608 -7.995 1.00 0.00 N ATOM 0 H LYS A 43 32.336 -6.073 -6.539 1.00 0.00 H new ATOM 0 HA LYS A 43 31.493 -7.742 -8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 43 33.942 -8.105 -9.004 1.00 0.00 H new ATOM 0 HB3 LYS A 43 33.547 -6.406 -8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 43 34.390 -6.343 -6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 43 34.547 -8.088 -6.496 1.00 0.00 H new ATOM 0 HD2 LYS A 43 36.754 -6.999 -6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 43 36.366 -8.034 -8.158 1.00 0.00 H new ATOM 0 HE2 LYS A 43 37.359 -5.950 -8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 43 35.691 -6.048 -9.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 36.225 -3.851 -8.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 35.059 -4.572 -7.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 36.675 -4.477 -7.174 1.00 0.00 H new ATOM 679 N SER A 44 32.182 -9.208 -5.862 1.00 0.00 N ATOM 680 CA SER A 44 32.222 -10.482 -5.118 1.00 0.00 C ATOM 681 C SER A 44 30.947 -11.312 -5.377 1.00 0.00 C ATOM 682 O SER A 44 31.009 -12.548 -5.414 1.00 0.00 O ATOM 683 CB SER A 44 32.409 -10.223 -3.602 1.00 0.00 C ATOM 684 OG SER A 44 32.587 -11.431 -2.871 1.00 0.00 O ATOM 0 H SER A 44 32.162 -8.383 -5.262 1.00 0.00 H new ATOM 0 HA SER A 44 33.076 -11.057 -5.476 1.00 0.00 H new ATOM 0 HB2 SER A 44 33.273 -9.576 -3.449 1.00 0.00 H new ATOM 0 HB3 SER A 44 31.540 -9.691 -3.216 1.00 0.00 H new ATOM 0 HG SER A 44 33.407 -11.876 -3.170 1.00 0.00 H new ATOM 690 N ILE A 45 29.808 -10.608 -5.589 1.00 0.00 N ATOM 691 CA ILE A 45 28.500 -11.243 -5.812 1.00 0.00 C ATOM 692 C ILE A 45 28.516 -11.967 -7.178 1.00 0.00 C ATOM 693 O ILE A 45 28.635 -11.337 -8.232 1.00 0.00 O ATOM 694 CB ILE A 45 27.289 -10.210 -5.746 1.00 0.00 C ATOM 695 CG1 ILE A 45 27.125 -9.542 -4.325 1.00 0.00 C ATOM 696 CG2 ILE A 45 25.954 -10.893 -6.167 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.218 -8.576 -3.894 1.00 0.00 C ATOM 0 H ILE A 45 29.777 -9.589 -5.609 1.00 0.00 H new ATOM 0 HA ILE A 45 28.337 -11.958 -5.005 1.00 0.00 H new ATOM 0 HB ILE A 45 27.530 -9.414 -6.451 1.00 0.00 H new ATOM 0 HG12 ILE A 45 26.174 -9.010 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.060 -10.336 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 45 25.142 -10.168 -6.114 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.042 -11.265 -7.188 1.00 0.00 H new ATOM 0 HG23 ILE A 45 25.743 -11.724 -5.494 1.00 0.00 H new ATOM 0 HD11 ILE A 45 27.989 -8.186 -2.902 1.00 0.00 H new ATOM 0 HD12 ILE A 45 29.175 -9.098 -3.867 1.00 0.00 H new ATOM 0 HD13 ILE A 45 28.275 -7.751 -4.604 1.00 0.00 H new ATOM 709 N LYS A 46 28.420 -13.298 -7.113 1.00 0.00 N ATOM 710 CA LYS A 46 28.418 -14.190 -8.276 1.00 0.00 C ATOM 711 C LYS A 46 26.998 -14.373 -8.836 1.00 0.00 C ATOM 712 O LYS A 46 26.801 -14.402 -10.052 1.00 0.00 O ATOM 713 CB LYS A 46 29.009 -15.559 -7.860 1.00 0.00 C ATOM 714 CG LYS A 46 30.475 -15.504 -7.356 1.00 0.00 C ATOM 715 CD LYS A 46 31.424 -14.754 -8.324 1.00 0.00 C ATOM 716 CE LYS A 46 32.894 -14.745 -7.867 1.00 0.00 C ATOM 717 NZ LYS A 46 33.530 -16.085 -7.977 1.00 0.00 N ATOM 0 H LYS A 46 28.339 -13.798 -6.227 1.00 0.00 H new ATOM 0 HA LYS A 46 29.027 -13.745 -9.063 1.00 0.00 H new ATOM 0 HB2 LYS A 46 28.385 -15.986 -7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.957 -16.236 -8.712 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.500 -15.016 -6.382 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.842 -16.520 -7.212 1.00 0.00 H new ATOM 0 HD2 LYS A 46 31.362 -15.216 -9.310 1.00 0.00 H new ATOM 0 HD3 LYS A 46 31.080 -13.725 -8.432 1.00 0.00 H new ATOM 0 HE2 LYS A 46 33.454 -14.029 -8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.948 -14.404 -6.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 34.502 -16.039 -7.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 32.984 -16.775 -7.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 33.550 -16.379 -8.974 1.00 0.00 H new ATOM 731 N SER A 47 26.022 -14.518 -7.929 1.00 0.00 N ATOM 732 CA SER A 47 24.611 -14.732 -8.282 1.00 0.00 C ATOM 733 C SER A 47 23.690 -14.135 -7.210 1.00 0.00 C ATOM 734 O SER A 47 24.041 -14.096 -6.026 1.00 0.00 O ATOM 735 CB SER A 47 24.318 -16.244 -8.458 1.00 0.00 C ATOM 736 OG SER A 47 25.046 -16.802 -9.543 1.00 0.00 O ATOM 0 H SER A 47 26.190 -14.490 -6.923 1.00 0.00 H new ATOM 0 HA SER A 47 24.416 -14.227 -9.228 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.573 -16.773 -7.540 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.251 -16.390 -8.624 1.00 0.00 H new ATOM 0 HG SER A 47 24.836 -17.756 -9.621 1.00 0.00 H new ATOM 742 N VAL A 48 22.515 -13.657 -7.647 1.00 0.00 N ATOM 743 CA VAL A 48 21.449 -13.168 -6.753 1.00 0.00 C ATOM 744 C VAL A 48 20.255 -14.146 -6.791 1.00 0.00 C ATOM 745 O VAL A 48 19.649 -14.387 -7.846 1.00 0.00 O ATOM 746 CB VAL A 48 21.004 -11.692 -7.112 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.582 -11.544 -8.600 1.00 0.00 C ATOM 748 CG2 VAL A 48 19.893 -11.192 -6.148 1.00 0.00 C ATOM 0 H VAL A 48 22.274 -13.598 -8.636 1.00 0.00 H new ATOM 0 HA VAL A 48 21.842 -13.129 -5.737 1.00 0.00 H new ATOM 0 HB VAL A 48 21.877 -11.054 -6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.286 -10.513 -8.793 1.00 0.00 H new ATOM 0 HG12 VAL A 48 21.421 -11.808 -9.244 1.00 0.00 H new ATOM 0 HG13 VAL A 48 19.743 -12.207 -8.808 1.00 0.00 H new ATOM 0 HG21 VAL A 48 19.607 -10.176 -6.418 1.00 0.00 H new ATOM 0 HG22 VAL A 48 19.024 -11.846 -6.224 1.00 0.00 H new ATOM 0 HG23 VAL A 48 20.267 -11.203 -5.124 1.00 0.00 H new ATOM 758 N GLU A 49 19.963 -14.752 -5.634 1.00 0.00 N ATOM 759 CA GLU A 49 18.839 -15.690 -5.473 1.00 0.00 C ATOM 760 C GLU A 49 17.644 -14.946 -4.845 1.00 0.00 C ATOM 761 O GLU A 49 17.811 -13.847 -4.299 1.00 0.00 O ATOM 762 CB GLU A 49 19.265 -16.899 -4.591 1.00 0.00 C ATOM 763 CG GLU A 49 20.635 -17.527 -4.951 1.00 0.00 C ATOM 764 CD GLU A 49 20.723 -18.079 -6.385 1.00 0.00 C ATOM 765 OE1 GLU A 49 20.220 -19.198 -6.634 1.00 0.00 O ATOM 766 OE2 GLU A 49 21.300 -17.408 -7.273 1.00 0.00 O ATOM 0 H GLU A 49 20.500 -14.607 -4.779 1.00 0.00 H new ATOM 0 HA GLU A 49 18.544 -16.076 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.293 -16.577 -3.550 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.499 -17.671 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.413 -16.775 -4.815 1.00 0.00 H new ATOM 0 HG3 GLU A 49 20.847 -18.334 -4.250 1.00 0.00 H new ATOM 773 N ASP A 50 16.459 -15.582 -4.884 1.00 0.00 N ATOM 774 CA ASP A 50 15.172 -14.980 -4.443 1.00 0.00 C ATOM 775 C ASP A 50 15.210 -14.440 -2.987 1.00 0.00 C ATOM 776 O ASP A 50 14.465 -13.514 -2.645 1.00 0.00 O ATOM 777 CB ASP A 50 14.030 -16.018 -4.589 1.00 0.00 C ATOM 778 CG ASP A 50 13.786 -16.453 -6.044 1.00 0.00 C ATOM 779 OD1 ASP A 50 14.498 -17.355 -6.537 1.00 0.00 O ATOM 780 OD2 ASP A 50 12.885 -15.892 -6.705 1.00 0.00 O ATOM 0 H ASP A 50 16.359 -16.538 -5.225 1.00 0.00 H new ATOM 0 HA ASP A 50 14.991 -14.121 -5.089 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.268 -16.897 -3.989 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.110 -15.596 -4.184 1.00 0.00 H new ATOM 785 N GLY A 51 16.081 -15.027 -2.149 1.00 0.00 N ATOM 786 CA GLY A 51 16.281 -14.574 -0.765 1.00 0.00 C ATOM 787 C GLY A 51 17.705 -14.822 -0.279 1.00 0.00 C ATOM 788 O GLY A 51 17.959 -14.885 0.937 1.00 0.00 O ATOM 0 H GLY A 51 16.662 -15.823 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.055 -13.510 -0.696 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.580 -15.091 -0.110 1.00 0.00 H new ATOM 792 N ARG A 52 18.649 -14.952 -1.238 1.00 0.00 N ATOM 793 CA ARG A 52 20.078 -15.215 -0.947 1.00 0.00 C ATOM 794 C ARG A 52 20.961 -14.327 -1.835 1.00 0.00 C ATOM 795 O ARG A 52 20.522 -13.848 -2.884 1.00 0.00 O ATOM 796 CB ARG A 52 20.464 -16.706 -1.205 1.00 0.00 C ATOM 797 CG ARG A 52 19.667 -17.772 -0.423 1.00 0.00 C ATOM 798 CD ARG A 52 20.025 -19.201 -0.877 1.00 0.00 C ATOM 799 NE ARG A 52 19.389 -20.233 -0.037 1.00 0.00 N ATOM 800 CZ ARG A 52 19.244 -21.529 -0.378 1.00 0.00 C ATOM 801 NH1 ARG A 52 19.622 -21.976 -1.568 1.00 0.00 N ATOM 802 NH2 ARG A 52 18.706 -22.371 0.482 1.00 0.00 N ATOM 0 H ARG A 52 18.443 -14.878 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 52 20.237 -14.992 0.108 1.00 0.00 H new ATOM 0 HB2 ARG A 52 20.349 -16.908 -2.270 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.521 -16.830 -0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.869 -17.668 0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.599 -17.603 -0.563 1.00 0.00 H new ATOM 0 HD2 ARG A 52 19.716 -19.338 -1.913 1.00 0.00 H new ATOM 0 HD3 ARG A 52 21.107 -19.328 -0.848 1.00 0.00 H new ATOM 0 HE ARG A 52 19.031 -19.943 0.873 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.032 -21.335 -2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.503 -22.961 -1.804 1.00 0.00 H new ATOM 0 HH21 ARG A 52 18.403 -22.040 1.398 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.593 -23.353 0.231 1.00 0.00 H new ATOM 816 N ILE A 53 22.216 -14.129 -1.400 1.00 0.00 N ATOM 817 CA ILE A 53 23.259 -13.453 -2.188 1.00 0.00 C ATOM 818 C ILE A 53 24.485 -14.381 -2.249 1.00 0.00 C ATOM 819 O ILE A 53 25.219 -14.504 -1.264 1.00 0.00 O ATOM 820 CB ILE A 53 23.656 -12.058 -1.545 1.00 0.00 C ATOM 821 CG1 ILE A 53 22.434 -11.078 -1.474 1.00 0.00 C ATOM 822 CG2 ILE A 53 24.843 -11.402 -2.285 1.00 0.00 C ATOM 823 CD1 ILE A 53 21.839 -10.686 -2.824 1.00 0.00 C ATOM 0 H ILE A 53 22.538 -14.437 -0.482 1.00 0.00 H new ATOM 0 HA ILE A 53 22.883 -13.249 -3.191 1.00 0.00 H new ATOM 0 HB ILE A 53 23.974 -12.265 -0.523 1.00 0.00 H new ATOM 0 HG12 ILE A 53 21.653 -11.540 -0.870 1.00 0.00 H new ATOM 0 HG13 ILE A 53 22.745 -10.172 -0.954 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.084 -10.449 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 53 25.711 -12.060 -2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 53 24.573 -11.233 -3.328 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.001 -10.007 -2.669 1.00 0.00 H new ATOM 0 HD12 ILE A 53 22.600 -10.191 -3.427 1.00 0.00 H new ATOM 0 HD13 ILE A 53 21.491 -11.580 -3.342 1.00 0.00 H new ATOM 835 N VAL A 54 24.695 -15.057 -3.394 1.00 0.00 N ATOM 836 CA VAL A 54 25.853 -15.927 -3.584 1.00 0.00 C ATOM 837 C VAL A 54 27.035 -15.051 -3.977 1.00 0.00 C ATOM 838 O VAL A 54 27.007 -14.410 -5.020 1.00 0.00 O ATOM 839 CB VAL A 54 25.596 -17.034 -4.680 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.843 -17.942 -4.874 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.342 -17.873 -4.321 1.00 0.00 C ATOM 0 H VAL A 54 24.071 -15.012 -4.199 1.00 0.00 H new ATOM 0 HA VAL A 54 26.056 -16.458 -2.654 1.00 0.00 H new ATOM 0 HB VAL A 54 25.411 -16.532 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.631 -18.693 -5.635 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.690 -17.334 -5.190 1.00 0.00 H new ATOM 0 HG13 VAL A 54 27.083 -18.437 -3.933 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.180 -18.631 -5.087 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.493 -18.358 -3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.471 -17.220 -4.266 1.00 0.00 H new ATOM 851 N ILE A 55 28.025 -14.978 -3.092 1.00 0.00 N ATOM 852 CA ILE A 55 29.335 -14.397 -3.388 1.00 0.00 C ATOM 853 C ILE A 55 30.326 -15.559 -3.506 1.00 0.00 C ATOM 854 O ILE A 55 30.026 -16.673 -3.076 1.00 0.00 O ATOM 855 CB ILE A 55 29.809 -13.372 -2.283 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.037 -14.073 -0.911 1.00 0.00 C ATOM 857 CG2 ILE A 55 28.802 -12.197 -2.139 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.589 -13.184 0.186 1.00 0.00 C ATOM 0 H ILE A 55 27.941 -15.325 -2.136 1.00 0.00 H new ATOM 0 HA ILE A 55 29.277 -13.827 -4.315 1.00 0.00 H new ATOM 0 HB ILE A 55 30.765 -12.963 -2.610 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.089 -14.492 -0.574 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.721 -14.909 -1.058 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.154 -11.508 -1.372 1.00 0.00 H new ATOM 0 HG22 ILE A 55 28.719 -11.670 -3.090 1.00 0.00 H new ATOM 0 HG23 ILE A 55 27.825 -12.588 -1.855 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.711 -13.766 1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.555 -12.784 -0.121 1.00 0.00 H new ATOM 0 HD13 ILE A 55 29.898 -12.361 0.370 1.00 0.00 H new ATOM 870 N GLY A 56 31.483 -15.322 -4.116 1.00 0.00 N ATOM 871 CA GLY A 56 32.466 -16.389 -4.323 1.00 0.00 C ATOM 872 C GLY A 56 33.796 -16.038 -3.718 1.00 0.00 C ATOM 873 O GLY A 56 34.245 -16.660 -2.748 1.00 0.00 O ATOM 0 H GLY A 56 31.765 -14.410 -4.474 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.098 -17.315 -3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.588 -16.571 -5.391 1.00 0.00 H new ATOM 877 N GLU A 57 34.412 -14.995 -4.280 1.00 0.00 N ATOM 878 CA GLU A 57 35.799 -14.620 -3.982 1.00 0.00 C ATOM 879 C GLU A 57 35.876 -13.136 -3.607 1.00 0.00 C ATOM 880 O GLU A 57 35.135 -12.314 -4.152 1.00 0.00 O ATOM 881 CB GLU A 57 36.676 -14.895 -5.229 1.00 0.00 C ATOM 882 CG GLU A 57 36.683 -16.361 -5.709 1.00 0.00 C ATOM 883 CD GLU A 57 37.283 -16.517 -7.109 1.00 0.00 C ATOM 884 OE1 GLU A 57 38.512 -16.710 -7.230 1.00 0.00 O ATOM 885 OE2 GLU A 57 36.528 -16.403 -8.099 1.00 0.00 O ATOM 0 H GLU A 57 33.961 -14.382 -4.959 1.00 0.00 H new ATOM 0 HA GLU A 57 36.162 -15.210 -3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 57 36.329 -14.262 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 57 37.700 -14.596 -5.008 1.00 0.00 H new ATOM 0 HG2 GLU A 57 37.251 -16.968 -5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 57 35.663 -16.745 -5.710 1.00 0.00 H new ATOM 892 N PHE A 58 36.757 -12.839 -2.651 1.00 0.00 N ATOM 893 CA PHE A 58 37.112 -11.485 -2.207 1.00 0.00 C ATOM 894 C PHE A 58 38.269 -11.624 -1.207 1.00 0.00 C ATOM 895 O PHE A 58 38.378 -12.659 -0.521 1.00 0.00 O ATOM 896 CB PHE A 58 35.908 -10.722 -1.552 1.00 0.00 C ATOM 897 CG PHE A 58 35.383 -11.355 -0.261 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.558 -12.474 -0.301 1.00 0.00 C ATOM 899 CD2 PHE A 58 35.734 -10.841 0.989 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.112 -13.062 0.858 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.279 -11.432 2.149 1.00 0.00 C ATOM 902 CZ PHE A 58 34.470 -12.542 2.080 1.00 0.00 C ATOM 0 H PHE A 58 37.265 -13.563 -2.142 1.00 0.00 H new ATOM 0 HA PHE A 58 37.401 -10.890 -3.073 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.215 -9.698 -1.341 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.093 -10.668 -2.273 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.264 -12.886 -1.255 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.370 -9.970 1.048 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.478 -13.935 0.809 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.557 -11.024 3.109 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.115 -13.007 2.988 1.00 0.00 H new ATOM 912 N ASP A 59 39.132 -10.607 -1.120 1.00 0.00 N ATOM 913 CA ASP A 59 40.211 -10.576 -0.122 1.00 0.00 C ATOM 914 C ASP A 59 39.603 -10.338 1.268 1.00 0.00 C ATOM 915 O ASP A 59 39.139 -9.238 1.575 1.00 0.00 O ATOM 916 CB ASP A 59 41.261 -9.506 -0.488 1.00 0.00 C ATOM 917 CG ASP A 59 42.018 -9.845 -1.783 1.00 0.00 C ATOM 918 OD1 ASP A 59 42.872 -10.759 -1.755 1.00 0.00 O ATOM 919 OD2 ASP A 59 41.737 -9.235 -2.837 1.00 0.00 O ATOM 0 H ASP A 59 39.106 -9.790 -1.730 1.00 0.00 H new ATOM 0 HA ASP A 59 40.731 -11.534 -0.109 1.00 0.00 H new ATOM 0 HB2 ASP A 59 40.768 -8.541 -0.601 1.00 0.00 H new ATOM 0 HB3 ASP A 59 41.974 -9.406 0.330 1.00 0.00 H new ATOM 924 N GLU A 60 39.578 -11.411 2.073 1.00 0.00 N ATOM 925 CA GLU A 60 38.840 -11.471 3.346 1.00 0.00 C ATOM 926 C GLU A 60 39.468 -10.582 4.430 1.00 0.00 C ATOM 927 O GLU A 60 38.747 -10.003 5.243 1.00 0.00 O ATOM 928 CB GLU A 60 38.754 -12.943 3.817 1.00 0.00 C ATOM 929 CG GLU A 60 38.046 -13.880 2.811 1.00 0.00 C ATOM 930 CD GLU A 60 38.209 -15.372 3.149 1.00 0.00 C ATOM 931 OE1 GLU A 60 37.390 -15.919 3.910 1.00 0.00 O ATOM 932 OE2 GLU A 60 39.172 -15.999 2.648 1.00 0.00 O ATOM 0 H GLU A 60 40.077 -12.274 1.856 1.00 0.00 H new ATOM 0 HA GLU A 60 37.836 -11.082 3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 60 39.762 -13.316 3.999 1.00 0.00 H new ATOM 0 HB3 GLU A 60 38.224 -12.980 4.769 1.00 0.00 H new ATOM 0 HG2 GLU A 60 36.984 -13.635 2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 60 38.442 -13.696 1.813 1.00 0.00 H new ATOM 939 N GLU A 61 40.810 -10.490 4.433 1.00 0.00 N ATOM 940 CA GLU A 61 41.554 -9.620 5.367 1.00 0.00 C ATOM 941 C GLU A 61 41.320 -8.136 5.033 1.00 0.00 C ATOM 942 O GLU A 61 41.236 -7.295 5.935 1.00 0.00 O ATOM 943 CB GLU A 61 43.068 -9.953 5.336 1.00 0.00 C ATOM 944 CG GLU A 61 43.944 -9.057 6.241 1.00 0.00 C ATOM 945 CD GLU A 61 45.421 -9.480 6.264 1.00 0.00 C ATOM 946 OE1 GLU A 61 46.098 -9.359 5.225 1.00 0.00 O ATOM 947 OE2 GLU A 61 45.905 -9.953 7.313 1.00 0.00 O ATOM 0 H GLU A 61 41.408 -11.013 3.793 1.00 0.00 H new ATOM 0 HA GLU A 61 41.182 -9.806 6.375 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.204 -10.992 5.636 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.424 -9.868 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 61 43.874 -8.025 5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 61 43.550 -9.082 7.257 1.00 0.00 H new ATOM 954 N GLU A 62 41.207 -7.832 3.727 1.00 0.00 N ATOM 955 CA GLU A 62 40.894 -6.472 3.254 1.00 0.00 C ATOM 956 C GLU A 62 39.453 -6.086 3.649 1.00 0.00 C ATOM 957 O GLU A 62 39.207 -4.980 4.137 1.00 0.00 O ATOM 958 CB GLU A 62 41.099 -6.351 1.723 1.00 0.00 C ATOM 959 CG GLU A 62 42.526 -6.693 1.243 1.00 0.00 C ATOM 960 CD GLU A 62 43.629 -5.849 1.912 1.00 0.00 C ATOM 961 OE1 GLU A 62 43.738 -4.644 1.598 1.00 0.00 O ATOM 962 OE2 GLU A 62 44.401 -6.390 2.731 1.00 0.00 O ATOM 0 H GLU A 62 41.329 -8.514 2.978 1.00 0.00 H new ATOM 0 HA GLU A 62 41.582 -5.777 3.735 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.392 -7.011 1.220 1.00 0.00 H new ATOM 0 HB3 GLU A 62 40.859 -5.333 1.416 1.00 0.00 H new ATOM 0 HG2 GLU A 62 42.721 -7.748 1.437 1.00 0.00 H new ATOM 0 HG3 GLU A 62 42.579 -6.552 0.163 1.00 0.00 H new ATOM 969 N ALA A 63 38.523 -7.039 3.474 1.00 0.00 N ATOM 970 CA ALA A 63 37.108 -6.888 3.877 1.00 0.00 C ATOM 971 C ALA A 63 36.972 -6.808 5.411 1.00 0.00 C ATOM 972 O ALA A 63 36.001 -6.245 5.931 1.00 0.00 O ATOM 973 CB ALA A 63 36.284 -8.064 3.328 1.00 0.00 C ATOM 0 H ALA A 63 38.729 -7.942 3.047 1.00 0.00 H new ATOM 0 HA ALA A 63 36.728 -5.956 3.459 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.242 -7.949 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.350 -8.078 2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.675 -9.000 3.727 1.00 0.00 H new ATOM 979 N ARG A 64 37.957 -7.399 6.117 1.00 0.00 N ATOM 980 CA ARG A 64 38.019 -7.399 7.584 1.00 0.00 C ATOM 981 C ARG A 64 38.439 -6.003 8.076 1.00 0.00 C ATOM 982 O ARG A 64 37.791 -5.450 8.958 1.00 0.00 O ATOM 983 CB ARG A 64 39.011 -8.510 8.083 1.00 0.00 C ATOM 984 CG ARG A 64 38.837 -8.999 9.549 1.00 0.00 C ATOM 985 CD ARG A 64 39.207 -7.957 10.624 1.00 0.00 C ATOM 986 NE ARG A 64 38.967 -8.452 11.988 1.00 0.00 N ATOM 987 CZ ARG A 64 37.786 -8.438 12.625 1.00 0.00 C ATOM 988 NH1 ARG A 64 36.681 -7.981 12.036 1.00 0.00 N ATOM 989 NH2 ARG A 64 37.719 -8.891 13.861 1.00 0.00 N ATOM 0 H ARG A 64 38.735 -7.892 5.678 1.00 0.00 H new ATOM 0 HA ARG A 64 37.036 -7.627 7.996 1.00 0.00 H new ATOM 0 HB2 ARG A 64 38.914 -9.373 7.424 1.00 0.00 H new ATOM 0 HB3 ARG A 64 40.028 -8.134 7.969 1.00 0.00 H new ATOM 0 HG2 ARG A 64 37.800 -9.301 9.696 1.00 0.00 H new ATOM 0 HG3 ARG A 64 39.451 -9.887 9.697 1.00 0.00 H new ATOM 0 HD2 ARG A 64 40.257 -7.686 10.518 1.00 0.00 H new ATOM 0 HD3 ARG A 64 38.626 -7.049 10.462 1.00 0.00 H new ATOM 0 HE ARG A 64 39.765 -8.838 12.492 1.00 0.00 H new ATOM 0 HH11 ARG A 64 36.721 -7.631 11.079 1.00 0.00 H new ATOM 0 HH12 ARG A 64 35.796 -7.981 12.543 1.00 0.00 H new ATOM 0 HH21 ARG A 64 38.558 -9.246 14.320 1.00 0.00 H new ATOM 0 HH22 ARG A 64 36.828 -8.887 14.358 1.00 0.00 H new ATOM 1003 N GLU A 65 39.518 -5.441 7.492 1.00 0.00 N ATOM 1004 CA GLU A 65 40.107 -4.163 7.957 1.00 0.00 C ATOM 1005 C GLU A 65 39.217 -2.957 7.591 1.00 0.00 C ATOM 1006 O GLU A 65 39.043 -2.043 8.409 1.00 0.00 O ATOM 1007 CB GLU A 65 41.563 -3.962 7.434 1.00 0.00 C ATOM 1008 CG GLU A 65 41.715 -3.969 5.903 1.00 0.00 C ATOM 1009 CD GLU A 65 43.137 -3.643 5.415 1.00 0.00 C ATOM 1010 OE1 GLU A 65 44.049 -4.476 5.598 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.348 -2.545 4.851 1.00 0.00 O ATOM 0 H GLU A 65 40.002 -5.853 6.694 1.00 0.00 H new ATOM 0 HA GLU A 65 40.157 -4.222 9.044 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.942 -3.014 7.817 1.00 0.00 H new ATOM 0 HB3 GLU A 65 42.193 -4.748 7.849 1.00 0.00 H new ATOM 0 HG2 GLU A 65 41.428 -4.950 5.524 1.00 0.00 H new ATOM 0 HG3 GLU A 65 41.020 -3.246 5.476 1.00 0.00 H new ATOM 1018 N LEU A 66 38.642 -2.953 6.365 1.00 0.00 N ATOM 1019 CA LEU A 66 37.707 -1.885 5.945 1.00 0.00 C ATOM 1020 C LEU A 66 36.282 -2.179 6.479 1.00 0.00 C ATOM 1021 O LEU A 66 35.417 -1.287 6.514 1.00 0.00 O ATOM 1022 CB LEU A 66 37.775 -1.637 4.399 1.00 0.00 C ATOM 1023 CG LEU A 66 37.079 -2.667 3.436 1.00 0.00 C ATOM 1024 CD1 LEU A 66 35.606 -2.308 3.177 1.00 0.00 C ATOM 1025 CD2 LEU A 66 37.844 -2.814 2.096 1.00 0.00 C ATOM 0 H LEU A 66 38.807 -3.669 5.658 1.00 0.00 H new ATOM 0 HA LEU A 66 38.014 -0.940 6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 66 37.342 -0.656 4.203 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.827 -1.582 4.119 1.00 0.00 H new ATOM 0 HG LEU A 66 37.105 -3.630 3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.164 -3.046 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 66 35.061 -2.303 4.121 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.547 -1.321 2.719 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.329 -3.535 1.460 1.00 0.00 H new ATOM 0 HD22 LEU A 66 37.883 -1.849 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 66 38.858 -3.162 2.292 1.00 0.00 H new ATOM 1037 N GLY A 67 36.063 -3.439 6.906 1.00 0.00 N ATOM 1038 CA GLY A 67 34.852 -3.826 7.629 1.00 0.00 C ATOM 1039 C GLY A 67 34.810 -3.224 9.030 1.00 0.00 C ATOM 1040 O GLY A 67 33.862 -2.529 9.379 1.00 0.00 O ATOM 0 H GLY A 67 36.719 -4.205 6.757 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.975 -3.502 7.068 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.802 -4.913 7.699 1.00 0.00 H new ATOM 1044 N ARG A 68 35.880 -3.462 9.823 1.00 0.00 N ATOM 1045 CA ARG A 68 36.010 -2.931 11.205 1.00 0.00 C ATOM 1046 C ARG A 68 36.181 -1.404 11.191 1.00 0.00 C ATOM 1047 O ARG A 68 35.935 -0.730 12.196 1.00 0.00 O ATOM 1048 CB ARG A 68 37.181 -3.622 11.971 1.00 0.00 C ATOM 1049 CG ARG A 68 38.605 -3.464 11.345 1.00 0.00 C ATOM 1050 CD ARG A 68 39.554 -2.488 12.093 1.00 0.00 C ATOM 1051 NE ARG A 68 39.161 -1.069 11.970 1.00 0.00 N ATOM 1052 CZ ARG A 68 39.514 -0.090 12.821 1.00 0.00 C ATOM 1053 NH1 ARG A 68 40.286 -0.341 13.870 1.00 0.00 N ATOM 1054 NH2 ARG A 68 39.097 1.147 12.614 1.00 0.00 N ATOM 0 H ARG A 68 36.677 -4.026 9.527 1.00 0.00 H new ATOM 0 HA ARG A 68 35.088 -3.162 11.739 1.00 0.00 H new ATOM 0 HB2 ARG A 68 37.207 -3.226 12.986 1.00 0.00 H new ATOM 0 HB3 ARG A 68 36.958 -4.686 12.050 1.00 0.00 H new ATOM 0 HG2 ARG A 68 39.078 -4.445 11.306 1.00 0.00 H new ATOM 0 HG3 ARG A 68 38.496 -3.121 10.316 1.00 0.00 H new ATOM 0 HD2 ARG A 68 39.581 -2.759 13.149 1.00 0.00 H new ATOM 0 HD3 ARG A 68 40.566 -2.611 11.706 1.00 0.00 H new ATOM 0 HE ARG A 68 38.575 -0.812 11.176 1.00 0.00 H new ATOM 0 HH11 ARG A 68 40.622 -1.289 14.041 1.00 0.00 H new ATOM 0 HH12 ARG A 68 40.544 0.414 14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 68 38.508 1.358 11.809 1.00 0.00 H new ATOM 0 HH22 ARG A 68 39.365 1.890 13.259 1.00 0.00 H new ATOM 1068 N LYS A 69 36.659 -0.885 10.051 1.00 0.00 N ATOM 1069 CA LYS A 69 36.668 0.554 9.744 1.00 0.00 C ATOM 1070 C LYS A 69 35.234 1.114 9.804 1.00 0.00 C ATOM 1071 O LYS A 69 34.987 2.109 10.481 1.00 0.00 O ATOM 1072 CB LYS A 69 37.316 0.756 8.359 1.00 0.00 C ATOM 1073 CG LYS A 69 37.100 2.119 7.689 1.00 0.00 C ATOM 1074 CD LYS A 69 37.808 2.204 6.314 1.00 0.00 C ATOM 1075 CE LYS A 69 37.333 3.401 5.496 1.00 0.00 C ATOM 1076 NZ LYS A 69 35.911 3.248 5.095 1.00 0.00 N ATOM 0 H LYS A 69 37.055 -1.459 9.307 1.00 0.00 H new ATOM 0 HA LYS A 69 37.254 1.102 10.482 1.00 0.00 H new ATOM 0 HB2 LYS A 69 38.389 0.592 8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 69 36.936 -0.016 7.690 1.00 0.00 H new ATOM 0 HG2 LYS A 69 36.032 2.295 7.559 1.00 0.00 H new ATOM 0 HG3 LYS A 69 37.476 2.908 8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 69 38.885 2.274 6.465 1.00 0.00 H new ATOM 0 HD3 LYS A 69 37.623 1.287 5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 69 37.453 4.314 6.079 1.00 0.00 H new ATOM 0 HE3 LYS A 69 37.955 3.507 4.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 35.766 3.676 4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 35.668 2.237 5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 35.301 3.723 5.791 1.00 0.00 H new ATOM 1090 N TRP A 70 34.291 0.418 9.130 1.00 0.00 N ATOM 1091 CA TRP A 70 32.847 0.746 9.183 1.00 0.00 C ATOM 1092 C TRP A 70 32.300 0.650 10.636 1.00 0.00 C ATOM 1093 O TRP A 70 31.431 1.438 11.027 1.00 0.00 O ATOM 1094 CB TRP A 70 32.057 -0.190 8.227 1.00 0.00 C ATOM 1095 CG TRP A 70 30.568 0.084 8.137 1.00 0.00 C ATOM 1096 CD1 TRP A 70 29.944 0.975 7.307 1.00 0.00 C ATOM 1097 CD2 TRP A 70 29.519 -0.547 8.897 1.00 0.00 C ATOM 1098 NE1 TRP A 70 28.587 0.917 7.488 1.00 0.00 N ATOM 1099 CE2 TRP A 70 28.301 0.002 8.463 1.00 0.00 C ATOM 1100 CE3 TRP A 70 29.500 -1.524 9.893 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 27.074 -0.392 8.992 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 28.285 -1.914 10.419 1.00 0.00 C ATOM 1103 CH2 TRP A 70 27.085 -1.345 9.974 1.00 0.00 C ATOM 0 H TRP A 70 34.507 -0.383 8.537 1.00 0.00 H new ATOM 0 HA TRP A 70 32.714 1.776 8.854 1.00 0.00 H new ATOM 0 HB2 TRP A 70 32.486 -0.108 7.228 1.00 0.00 H new ATOM 0 HB3 TRP A 70 32.201 -1.220 8.552 1.00 0.00 H new ATOM 0 HD1 TRP A 70 30.448 1.629 6.611 1.00 0.00 H new ATOM 0 HE1 TRP A 70 27.899 1.469 6.976 1.00 0.00 H new ATOM 0 HE3 TRP A 70 30.419 -1.967 10.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.148 0.039 8.640 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.259 -2.672 11.188 1.00 0.00 H new ATOM 0 HH2 TRP A 70 26.152 -1.664 10.414 1.00 0.00 H new ATOM 1114 N LEU A 71 32.816 -0.325 11.430 1.00 0.00 N ATOM 1115 CA LEU A 71 32.468 -0.465 12.877 1.00 0.00 C ATOM 1116 C LEU A 71 32.920 0.763 13.692 1.00 0.00 C ATOM 1117 O LEU A 71 32.309 1.098 14.711 1.00 0.00 O ATOM 1118 CB LEU A 71 33.066 -1.762 13.523 1.00 0.00 C ATOM 1119 CG LEU A 71 32.298 -3.102 13.279 1.00 0.00 C ATOM 1120 CD1 LEU A 71 32.234 -3.468 11.795 1.00 0.00 C ATOM 1121 CD2 LEU A 71 32.914 -4.257 14.105 1.00 0.00 C ATOM 0 H LEU A 71 33.475 -1.028 11.096 1.00 0.00 H new ATOM 0 HA LEU A 71 31.381 -0.540 12.910 1.00 0.00 H new ATOM 0 HB2 LEU A 71 34.084 -1.884 13.154 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.134 -1.603 14.599 1.00 0.00 H new ATOM 0 HG LEU A 71 31.274 -2.947 13.618 1.00 0.00 H new ATOM 0 HD11 LEU A 71 31.691 -4.406 11.675 1.00 0.00 H new ATOM 0 HD12 LEU A 71 31.720 -2.678 11.247 1.00 0.00 H new ATOM 0 HD13 LEU A 71 33.245 -3.581 11.404 1.00 0.00 H new ATOM 0 HD21 LEU A 71 32.360 -5.176 13.915 1.00 0.00 H new ATOM 0 HD22 LEU A 71 33.956 -4.396 13.816 1.00 0.00 H new ATOM 0 HD23 LEU A 71 32.861 -4.014 15.166 1.00 0.00 H new ATOM 1133 N GLU A 72 34.005 1.409 13.258 1.00 0.00 N ATOM 1134 CA GLU A 72 34.502 2.635 13.897 1.00 0.00 C ATOM 1135 C GLU A 72 33.650 3.848 13.447 1.00 0.00 C ATOM 1136 O GLU A 72 33.318 4.722 14.259 1.00 0.00 O ATOM 1137 CB GLU A 72 36.002 2.835 13.549 1.00 0.00 C ATOM 1138 CG GLU A 72 36.681 4.012 14.274 1.00 0.00 C ATOM 1139 CD GLU A 72 38.175 4.151 13.934 1.00 0.00 C ATOM 1140 OE1 GLU A 72 39.006 3.430 14.532 1.00 0.00 O ATOM 1141 OE2 GLU A 72 38.527 4.967 13.058 1.00 0.00 O ATOM 0 H GLU A 72 34.562 1.102 12.460 1.00 0.00 H new ATOM 0 HA GLU A 72 34.413 2.547 14.980 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.542 1.919 13.789 1.00 0.00 H new ATOM 0 HB3 GLU A 72 36.094 2.987 12.474 1.00 0.00 H new ATOM 0 HG2 GLU A 72 36.168 4.937 14.012 1.00 0.00 H new ATOM 0 HG3 GLU A 72 36.570 3.880 15.350 1.00 0.00 H new