USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 610 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 12 SER OG : rot 177:sc= -0.873 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 78:sc= 0.518 USER MOD Single : A 19 SER OG : rot -69:sc= 0.827 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ -138:sc= 0.122 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.0989 USER MOD Single : A 31 THR OG1 : rot -25:sc= -0.817! USER MOD Single : A 33 SER OG : rot -47:sc= 0.571 USER MOD Single : A 40 ASN :FLIP amide:sc= 0.0436 F(o=-1.4,f=0.044) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00226) USER MOD Single : A 64 ASN : amide:sc= -0.349 X(o=-0.35,f=-0.088) USER MOD Single : A 67 ASN : amide:sc= -0.145 X(o=-0.14,f=-0.11) USER MOD Single : A 71 THR OG1 : rot 110:sc= -0.57 USER MOD Single : A 77 ASN : amide:sc= -2.03 X(o=-2,f=-1.7!) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= -0.0143 (180deg=-0.199) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= 0.00482 (180deg=-0.0398) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 8 7.290 10.394 -7.204 1.00 23.24 N ATOM 84 CA ASP A 8 5.838 10.416 -7.074 1.00 51.42 C ATOM 85 C ASP A 8 5.387 11.595 -6.217 1.00 50.12 C ATOM 86 O ASP A 8 4.201 11.921 -6.168 1.00 64.32 O ATOM 87 CB ASP A 8 5.338 9.106 -6.464 1.00 64.33 C ATOM 88 CG ASP A 8 5.969 7.889 -7.111 1.00 64.53 C ATOM 89 OD1 ASP A 8 5.951 7.803 -8.357 1.00 22.22 O ATOM 90 OD2 ASP A 8 6.481 7.021 -6.372 1.00 53.21 O ATOM 0 HA ASP A 8 5.411 10.529 -8.071 1.00 51.42 H new ATOM 0 HB2 ASP A 8 5.555 9.100 -5.396 1.00 64.33 H new ATOM 0 HB3 ASP A 8 4.255 9.049 -6.570 1.00 64.33 H new ATOM 95 N GLU A 9 6.341 12.229 -5.543 1.00 1.22 N ATOM 96 CA GLU A 9 6.041 13.370 -4.686 1.00 55.43 C ATOM 97 C GLU A 9 6.341 14.683 -5.404 1.00 4.34 C ATOM 98 O GLU A 9 5.770 15.725 -5.079 1.00 62.22 O ATOM 99 CB GLU A 9 6.847 13.289 -3.389 1.00 24.13 C ATOM 100 CG GLU A 9 6.366 14.246 -2.312 1.00 1.44 C ATOM 101 CD GLU A 9 4.894 14.074 -1.993 1.00 73.12 C ATOM 102 OE1 GLU A 9 4.516 12.987 -1.506 1.00 51.45 O ATOM 103 OE2 GLU A 9 4.119 15.024 -2.231 1.00 4.23 O ATOM 0 H GLU A 9 7.328 11.972 -5.574 1.00 1.22 H new ATOM 0 HA GLU A 9 4.978 13.342 -4.446 1.00 55.43 H new ATOM 0 HB2 GLU A 9 6.800 12.270 -3.005 1.00 24.13 H new ATOM 0 HB3 GLU A 9 7.894 13.499 -3.608 1.00 24.13 H new ATOM 0 HG2 GLU A 9 6.951 14.090 -1.405 1.00 1.44 H new ATOM 0 HG3 GLU A 9 6.546 15.271 -2.635 1.00 1.44 H new ATOM 110 N ILE A 10 7.242 14.625 -6.379 1.00 31.21 N ATOM 111 CA ILE A 10 7.618 15.808 -7.142 1.00 44.13 C ATOM 112 C ILE A 10 6.460 16.297 -8.005 1.00 10.31 C ATOM 113 O ILE A 10 6.055 17.457 -7.920 1.00 43.02 O ATOM 114 CB ILE A 10 8.835 15.532 -8.045 1.00 61.11 C ATOM 115 CG1 ILE A 10 10.042 15.119 -7.200 1.00 34.42 C ATOM 116 CG2 ILE A 10 9.163 16.759 -8.882 1.00 2.52 C ATOM 117 CD1 ILE A 10 11.135 14.444 -7.997 1.00 65.33 C ATOM 0 H ILE A 10 7.725 13.771 -6.659 1.00 31.21 H new ATOM 0 HA ILE A 10 7.880 16.580 -6.418 1.00 44.13 H new ATOM 0 HB ILE A 10 8.589 14.711 -8.719 1.00 61.11 H new ATOM 0 HG12 ILE A 10 10.453 16.003 -6.711 1.00 34.42 H new ATOM 0 HG13 ILE A 10 9.709 14.444 -6.411 1.00 34.42 H new ATOM 0 HG21 ILE A 10 10.025 16.548 -9.515 1.00 2.52 H new ATOM 0 HG22 ILE A 10 8.307 17.012 -9.508 1.00 2.52 H new ATOM 0 HG23 ILE A 10 9.392 17.597 -8.224 1.00 2.52 H new ATOM 0 HD11 ILE A 10 11.958 14.179 -7.334 1.00 65.33 H new ATOM 0 HD12 ILE A 10 10.740 13.542 -8.464 1.00 65.33 H new ATOM 0 HD13 ILE A 10 11.495 15.124 -8.769 1.00 65.33 H new ATOM 129 N PHE A 11 5.929 15.405 -8.834 1.00 33.11 N ATOM 130 CA PHE A 11 4.815 15.745 -9.712 1.00 44.02 C ATOM 131 C PHE A 11 3.543 15.993 -8.907 1.00 23.23 C ATOM 132 O PHE A 11 2.692 16.790 -9.300 1.00 42.30 O ATOM 133 CB PHE A 11 4.579 14.626 -10.728 1.00 62.32 C ATOM 134 CG PHE A 11 3.629 13.568 -10.245 1.00 33.03 C ATOM 135 CD1 PHE A 11 4.028 12.640 -9.297 1.00 24.32 C ATOM 136 CD2 PHE A 11 2.336 13.502 -10.738 1.00 15.24 C ATOM 137 CE1 PHE A 11 3.156 11.665 -8.851 1.00 31.01 C ATOM 138 CE2 PHE A 11 1.458 12.530 -10.295 1.00 64.11 C ATOM 139 CZ PHE A 11 1.869 11.611 -9.350 1.00 30.23 C ATOM 0 H PHE A 11 6.252 14.441 -8.917 1.00 33.11 H new ATOM 0 HA PHE A 11 5.071 16.661 -10.244 1.00 44.02 H new ATOM 0 HB2 PHE A 11 4.190 15.059 -11.649 1.00 62.32 H new ATOM 0 HB3 PHE A 11 5.534 14.161 -10.973 1.00 62.32 H new ATOM 0 HD1 PHE A 11 5.032 12.679 -8.902 1.00 24.32 H new ATOM 0 HD2 PHE A 11 2.010 14.218 -11.477 1.00 15.24 H new ATOM 0 HE1 PHE A 11 3.480 10.946 -8.113 1.00 31.01 H new ATOM 0 HE2 PHE A 11 0.453 12.490 -10.687 1.00 64.11 H new ATOM 0 HZ PHE A 11 1.185 10.851 -9.001 1.00 30.23 H new ATOM 149 N SER A 12 3.421 15.303 -7.777 1.00 64.22 N ATOM 150 CA SER A 12 2.252 15.444 -6.918 1.00 31.23 C ATOM 151 C SER A 12 2.293 16.765 -6.157 1.00 3.44 C ATOM 152 O SER A 12 1.280 17.451 -6.024 1.00 14.50 O ATOM 153 CB SER A 12 2.174 14.277 -5.932 1.00 34.42 C ATOM 154 OG SER A 12 3.040 14.481 -4.829 1.00 43.15 O ATOM 0 H SER A 12 4.118 14.641 -7.436 1.00 64.22 H new ATOM 0 HA SER A 12 1.364 15.436 -7.550 1.00 31.23 H new ATOM 0 HB2 SER A 12 1.149 14.164 -5.578 1.00 34.42 H new ATOM 0 HB3 SER A 12 2.439 13.350 -6.440 1.00 34.42 H new ATOM 0 HG SER A 12 2.935 13.745 -4.190 1.00 43.15 H new ATOM 160 N LYS A 13 3.474 17.117 -5.658 1.00 34.44 N ATOM 161 CA LYS A 13 3.651 18.356 -4.910 1.00 73.02 C ATOM 162 C LYS A 13 3.445 19.569 -5.812 1.00 1.13 C ATOM 163 O LYS A 13 2.686 20.480 -5.480 1.00 73.34 O ATOM 164 CB LYS A 13 5.046 18.403 -4.284 1.00 43.21 C ATOM 165 CG LYS A 13 5.261 19.594 -3.366 1.00 43.24 C ATOM 166 CD LYS A 13 6.527 19.440 -2.540 1.00 33.25 C ATOM 167 CE LYS A 13 6.260 18.681 -1.248 1.00 52.44 C ATOM 168 NZ LYS A 13 7.209 19.072 -0.169 1.00 72.03 N ATOM 0 H LYS A 13 4.323 16.561 -5.759 1.00 34.44 H new ATOM 0 HA LYS A 13 2.903 18.383 -4.117 1.00 73.02 H new ATOM 0 HB2 LYS A 13 5.213 17.485 -3.720 1.00 43.21 H new ATOM 0 HB3 LYS A 13 5.791 18.429 -5.079 1.00 43.21 H new ATOM 0 HG2 LYS A 13 5.322 20.506 -3.960 1.00 43.24 H new ATOM 0 HG3 LYS A 13 4.403 19.702 -2.702 1.00 43.24 H new ATOM 0 HD2 LYS A 13 7.282 18.913 -3.124 1.00 33.25 H new ATOM 0 HD3 LYS A 13 6.933 20.424 -2.308 1.00 33.25 H new ATOM 0 HE2 LYS A 13 5.238 18.871 -0.920 1.00 52.44 H new ATOM 0 HE3 LYS A 13 6.341 17.610 -1.433 1.00 52.44 H new ATOM 0 HZ1 LYS A 13 6.994 18.533 0.694 1.00 72.03 H new ATOM 0 HZ2 LYS A 13 8.183 18.867 -0.472 1.00 72.03 H new ATOM 0 HZ3 LYS A 13 7.114 20.089 0.025 1.00 72.03 H new ATOM 182 N VAL A 14 4.125 19.574 -6.954 1.00 5.34 N ATOM 183 CA VAL A 14 4.015 20.674 -7.904 1.00 43.32 C ATOM 184 C VAL A 14 2.599 20.783 -8.457 1.00 15.33 C ATOM 185 O VAL A 14 2.098 21.882 -8.697 1.00 12.13 O ATOM 186 CB VAL A 14 5.000 20.504 -9.076 1.00 51.03 C ATOM 187 CG1 VAL A 14 4.847 21.644 -10.072 1.00 24.11 C ATOM 188 CG2 VAL A 14 6.429 20.421 -8.563 1.00 5.31 C ATOM 0 H VAL A 14 4.758 18.828 -7.244 1.00 5.34 H new ATOM 0 HA VAL A 14 4.261 21.587 -7.361 1.00 43.32 H new ATOM 0 HB VAL A 14 4.769 19.571 -9.590 1.00 51.03 H new ATOM 0 HG11 VAL A 14 5.551 21.507 -10.893 1.00 24.11 H new ATOM 0 HG12 VAL A 14 3.830 21.651 -10.464 1.00 24.11 H new ATOM 0 HG13 VAL A 14 5.051 22.592 -9.574 1.00 24.11 H new ATOM 0 HG21 VAL A 14 7.111 20.301 -9.405 1.00 5.31 H new ATOM 0 HG22 VAL A 14 6.676 21.335 -8.023 1.00 5.31 H new ATOM 0 HG23 VAL A 14 6.526 19.567 -7.893 1.00 5.31 H new ATOM 198 N ARG A 15 1.957 19.637 -8.656 1.00 21.52 N ATOM 199 CA ARG A 15 0.597 19.603 -9.181 1.00 24.22 C ATOM 200 C ARG A 15 -0.391 20.174 -8.168 1.00 43.12 C ATOM 201 O ARG A 15 -1.250 20.985 -8.514 1.00 1.13 O ATOM 202 CB ARG A 15 0.203 18.170 -9.542 1.00 32.51 C ATOM 203 CG ARG A 15 -1.207 18.047 -10.096 1.00 13.23 C ATOM 204 CD ARG A 15 -1.288 18.547 -11.530 1.00 21.32 C ATOM 205 NE ARG A 15 -0.295 17.908 -12.389 1.00 24.54 N ATOM 206 CZ ARG A 15 -0.089 18.250 -13.656 1.00 33.34 C ATOM 207 NH1 ARG A 15 -0.804 19.220 -14.208 1.00 13.22 N ATOM 208 NH2 ARG A 15 0.833 17.621 -14.373 1.00 3.12 N ATOM 0 H ARG A 15 2.357 18.719 -8.462 1.00 21.52 H new ATOM 0 HA ARG A 15 0.566 20.219 -10.080 1.00 24.22 H new ATOM 0 HB2 ARG A 15 0.908 17.783 -10.277 1.00 32.51 H new ATOM 0 HB3 ARG A 15 0.291 17.543 -8.655 1.00 32.51 H new ATOM 0 HG2 ARG A 15 -1.526 17.006 -10.054 1.00 13.23 H new ATOM 0 HG3 ARG A 15 -1.895 18.616 -9.472 1.00 13.23 H new ATOM 0 HD2 ARG A 15 -2.286 18.356 -11.925 1.00 21.32 H new ATOM 0 HD3 ARG A 15 -1.140 19.627 -11.546 1.00 21.32 H new ATOM 0 HE ARG A 15 0.272 17.157 -11.994 1.00 24.54 H new ATOM 0 HH11 ARG A 15 -1.514 19.705 -13.660 1.00 13.22 H new ATOM 0 HH12 ARG A 15 -0.644 19.481 -15.181 1.00 13.22 H new ATOM 0 HH21 ARG A 15 1.385 16.874 -13.952 1.00 3.12 H new ATOM 0 HH22 ARG A 15 0.990 17.885 -15.346 1.00 3.12 H new ATOM 222 N SER A 16 -0.263 19.745 -6.917 1.00 25.42 N ATOM 223 CA SER A 16 -1.147 20.210 -5.855 1.00 23.24 C ATOM 224 C SER A 16 -1.154 21.734 -5.782 1.00 61.32 C ATOM 225 O SER A 16 -2.121 22.339 -5.319 1.00 41.31 O ATOM 226 CB SER A 16 -0.713 19.626 -4.509 1.00 22.13 C ATOM 227 OG SER A 16 -1.033 18.248 -4.424 1.00 1.15 O ATOM 0 H SER A 16 0.445 19.076 -6.614 1.00 25.42 H new ATOM 0 HA SER A 16 -2.157 19.870 -6.082 1.00 23.24 H new ATOM 0 HB2 SER A 16 0.361 19.762 -4.379 1.00 22.13 H new ATOM 0 HB3 SER A 16 -1.203 20.167 -3.699 1.00 22.13 H new ATOM 0 HG SER A 16 -0.374 17.727 -4.928 1.00 1.15 H new ATOM 233 N ILE A 17 -0.069 22.347 -6.243 1.00 22.41 N ATOM 234 CA ILE A 17 0.050 23.799 -6.232 1.00 2.33 C ATOM 235 C ILE A 17 -0.924 24.438 -7.216 1.00 0.35 C ATOM 236 O ILE A 17 -1.714 25.307 -6.846 1.00 14.30 O ATOM 237 CB ILE A 17 1.482 24.250 -6.578 1.00 73.33 C ATOM 238 CG1 ILE A 17 2.470 23.733 -5.531 1.00 30.22 C ATOM 239 CG2 ILE A 17 1.551 25.766 -6.677 1.00 14.34 C ATOM 240 CD1 ILE A 17 3.909 23.751 -5.997 1.00 11.02 C ATOM 0 H ILE A 17 0.740 21.860 -6.629 1.00 22.41 H new ATOM 0 HA ILE A 17 -0.191 24.127 -5.221 1.00 2.33 H new ATOM 0 HB ILE A 17 1.755 23.830 -7.546 1.00 73.33 H new ATOM 0 HG12 ILE A 17 2.381 24.339 -4.629 1.00 30.22 H new ATOM 0 HG13 ILE A 17 2.198 22.713 -5.258 1.00 30.22 H new ATOM 0 HG21 ILE A 17 2.569 26.069 -6.922 1.00 14.34 H new ATOM 0 HG22 ILE A 17 0.872 26.111 -7.457 1.00 14.34 H new ATOM 0 HG23 ILE A 17 1.261 26.206 -5.723 1.00 14.34 H new ATOM 0 HD11 ILE A 17 4.553 23.371 -5.204 1.00 11.02 H new ATOM 0 HD12 ILE A 17 4.013 23.122 -6.881 1.00 11.02 H new ATOM 0 HD13 ILE A 17 4.199 24.773 -6.242 1.00 11.02 H new ATOM 252 N ILE A 18 -0.863 24.001 -8.469 1.00 23.03 N ATOM 253 CA ILE A 18 -1.742 24.528 -9.505 1.00 44.21 C ATOM 254 C ILE A 18 -3.154 23.970 -9.365 1.00 24.40 C ATOM 255 O ILE A 18 -4.130 24.624 -9.730 1.00 12.35 O ATOM 256 CB ILE A 18 -1.210 24.202 -10.913 1.00 51.34 C ATOM 257 CG1 ILE A 18 -1.211 22.690 -11.145 1.00 61.11 C ATOM 258 CG2 ILE A 18 0.189 24.771 -11.096 1.00 61.11 C ATOM 259 CD1 ILE A 18 -0.704 22.288 -12.512 1.00 71.25 C ATOM 0 H ILE A 18 -0.214 23.283 -8.791 1.00 23.03 H new ATOM 0 HA ILE A 18 -1.768 25.610 -9.377 1.00 44.21 H new ATOM 0 HB ILE A 18 -1.868 24.664 -11.649 1.00 51.34 H new ATOM 0 HG12 ILE A 18 -0.594 22.213 -10.383 1.00 61.11 H new ATOM 0 HG13 ILE A 18 -2.225 22.312 -11.017 1.00 61.11 H new ATOM 0 HG21 ILE A 18 0.551 24.532 -12.096 1.00 61.11 H new ATOM 0 HG22 ILE A 18 0.161 25.853 -10.969 1.00 61.11 H new ATOM 0 HG23 ILE A 18 0.859 24.336 -10.354 1.00 61.11 H new ATOM 0 HD11 ILE A 18 -0.733 21.202 -12.606 1.00 71.25 H new ATOM 0 HD12 ILE A 18 -1.335 22.736 -13.280 1.00 71.25 H new ATOM 0 HD13 ILE A 18 0.322 22.636 -12.636 1.00 71.25 H new ATOM 271 N SER A 19 -3.254 22.756 -8.833 1.00 22.24 N ATOM 272 CA SER A 19 -4.547 22.108 -8.646 1.00 25.45 C ATOM 273 C SER A 19 -5.531 23.048 -7.958 1.00 15.11 C ATOM 274 O SER A 19 -6.740 22.961 -8.171 1.00 13.11 O ATOM 275 CB SER A 19 -4.385 20.829 -7.821 1.00 60.35 C ATOM 276 OG SER A 19 -4.437 21.107 -6.433 1.00 24.11 O ATOM 0 H SER A 19 -2.456 22.202 -8.524 1.00 22.24 H new ATOM 0 HA SER A 19 -4.943 21.851 -9.629 1.00 25.45 H new ATOM 0 HB2 SER A 19 -5.172 20.122 -8.083 1.00 60.35 H new ATOM 0 HB3 SER A 19 -3.435 20.354 -8.064 1.00 60.35 H new ATOM 0 HG SER A 19 -3.639 21.611 -6.170 1.00 24.11 H new ATOM 282 N GLU A 20 -5.004 23.947 -7.132 1.00 71.33 N ATOM 283 CA GLU A 20 -5.837 24.903 -6.412 1.00 43.14 C ATOM 284 C GLU A 20 -6.541 25.849 -7.381 1.00 70.43 C ATOM 285 O GLU A 20 -7.737 26.108 -7.251 1.00 70.15 O ATOM 286 CB GLU A 20 -4.990 25.707 -5.423 1.00 72.21 C ATOM 287 CG GLU A 20 -5.782 26.250 -4.246 1.00 11.24 C ATOM 288 CD GLU A 20 -4.916 27.015 -3.263 1.00 71.33 C ATOM 289 OE1 GLU A 20 -4.317 28.032 -3.669 1.00 43.50 O ATOM 290 OE2 GLU A 20 -4.838 26.596 -2.090 1.00 25.43 O ATOM 0 H GLU A 20 -4.005 24.033 -6.945 1.00 71.33 H new ATOM 0 HA GLU A 20 -6.594 24.344 -5.862 1.00 43.14 H new ATOM 0 HB2 GLU A 20 -4.186 25.074 -5.048 1.00 72.21 H new ATOM 0 HB3 GLU A 20 -4.522 26.538 -5.950 1.00 72.21 H new ATOM 0 HG2 GLU A 20 -6.571 26.905 -4.615 1.00 11.24 H new ATOM 0 HG3 GLU A 20 -6.269 25.424 -3.729 1.00 11.24 H new ATOM 297 N GLN A 21 -5.790 26.360 -8.351 1.00 3.20 N ATOM 298 CA GLN A 21 -6.341 27.278 -9.341 1.00 35.22 C ATOM 299 C GLN A 21 -6.988 26.513 -10.491 1.00 43.23 C ATOM 300 O GLN A 21 -8.141 26.761 -10.845 1.00 52.11 O ATOM 301 CB GLN A 21 -5.246 28.201 -9.878 1.00 13.04 C ATOM 302 CG GLN A 21 -4.526 28.985 -8.793 1.00 1.31 C ATOM 303 CD GLN A 21 -5.330 30.172 -8.299 1.00 44.23 C ATOM 304 OE1 GLN A 21 -5.377 31.218 -8.948 1.00 62.42 O ATOM 305 NE2 GLN A 21 -5.968 30.017 -7.145 1.00 62.43 N ATOM 0 H GLN A 21 -4.798 26.154 -8.473 1.00 3.20 H new ATOM 0 HA GLN A 21 -7.107 27.881 -8.854 1.00 35.22 H new ATOM 0 HB2 GLN A 21 -4.518 27.605 -10.428 1.00 13.04 H new ATOM 0 HB3 GLN A 21 -5.688 28.900 -10.588 1.00 13.04 H new ATOM 0 HG2 GLN A 21 -4.310 28.323 -7.954 1.00 1.31 H new ATOM 0 HG3 GLN A 21 -3.568 29.335 -9.178 1.00 1.31 H new ATOM 0 HE21 GLN A 21 -5.902 29.133 -6.640 1.00 62.43 H new ATOM 0 HE22 GLN A 21 -6.525 30.782 -6.763 1.00 62.43 H new ATOM 314 N LEU A 22 -6.238 25.583 -11.072 1.00 45.42 N ATOM 315 CA LEU A 22 -6.737 24.782 -12.184 1.00 31.20 C ATOM 316 C LEU A 22 -7.940 23.947 -11.756 1.00 41.02 C ATOM 317 O LEU A 22 -8.836 23.677 -12.555 1.00 75.25 O ATOM 318 CB LEU A 22 -5.632 23.869 -12.717 1.00 62.32 C ATOM 319 CG LEU A 22 -4.707 24.479 -13.772 1.00 35.25 C ATOM 320 CD1 LEU A 22 -4.210 25.843 -13.320 1.00 24.03 C ATOM 321 CD2 LEU A 22 -3.537 23.549 -14.057 1.00 2.34 C ATOM 0 H LEU A 22 -5.282 25.365 -10.791 1.00 45.42 H new ATOM 0 HA LEU A 22 -7.052 25.461 -12.976 1.00 31.20 H new ATOM 0 HB2 LEU A 22 -5.023 23.540 -11.875 1.00 62.32 H new ATOM 0 HB3 LEU A 22 -6.097 22.979 -13.141 1.00 62.32 H new ATOM 0 HG LEU A 22 -5.274 24.609 -14.694 1.00 35.25 H new ATOM 0 HD11 LEU A 22 -3.553 26.262 -14.083 1.00 24.03 H new ATOM 0 HD12 LEU A 22 -5.060 26.508 -13.168 1.00 24.03 H new ATOM 0 HD13 LEU A 22 -3.660 25.738 -12.385 1.00 24.03 H new ATOM 0 HD21 LEU A 22 -2.890 23.999 -14.810 1.00 2.34 H new ATOM 0 HD22 LEU A 22 -2.970 23.387 -13.141 1.00 2.34 H new ATOM 0 HD23 LEU A 22 -3.912 22.594 -14.425 1.00 2.34 H new ATOM 333 N ASP A 23 -7.953 23.543 -10.491 1.00 11.33 N ATOM 334 CA ASP A 23 -9.048 22.742 -9.955 1.00 65.02 C ATOM 335 C ASP A 23 -9.179 21.425 -10.714 1.00 41.21 C ATOM 336 O ASP A 23 -10.243 20.805 -10.725 1.00 4.43 O ATOM 337 CB ASP A 23 -10.362 23.521 -10.029 1.00 22.21 C ATOM 338 CG ASP A 23 -11.406 22.987 -9.067 1.00 44.45 C ATOM 339 OD1 ASP A 23 -11.041 22.657 -7.920 1.00 22.00 O ATOM 340 OD2 ASP A 23 -12.587 22.900 -9.463 1.00 32.42 O ATOM 0 H ASP A 23 -7.218 23.757 -9.817 1.00 11.33 H new ATOM 0 HA ASP A 23 -8.826 22.519 -8.911 1.00 65.02 H new ATOM 0 HB2 ASP A 23 -10.172 24.571 -9.808 1.00 22.21 H new ATOM 0 HB3 ASP A 23 -10.752 23.475 -11.046 1.00 22.21 H new ATOM 345 N LYS A 24 -8.091 21.003 -11.350 1.00 2.54 N ATOM 346 CA LYS A 24 -8.083 19.760 -12.112 1.00 2.43 C ATOM 347 C LYS A 24 -7.506 18.617 -11.282 1.00 52.54 C ATOM 348 O LYS A 24 -7.114 18.808 -10.131 1.00 42.31 O ATOM 349 CB LYS A 24 -7.271 19.932 -13.398 1.00 21.24 C ATOM 350 CG LYS A 24 -7.865 20.944 -14.362 1.00 2.24 C ATOM 351 CD LYS A 24 -9.064 20.374 -15.100 1.00 13.12 C ATOM 352 CE LYS A 24 -8.654 19.728 -16.414 1.00 73.13 C ATOM 353 NZ LYS A 24 -8.468 20.737 -17.494 1.00 34.50 N ATOM 0 H LYS A 24 -7.203 21.504 -11.353 1.00 2.54 H new ATOM 0 HA LYS A 24 -9.113 19.514 -12.370 1.00 2.43 H new ATOM 0 HB2 LYS A 24 -6.258 20.240 -13.139 1.00 21.24 H new ATOM 0 HB3 LYS A 24 -7.192 18.968 -13.900 1.00 21.24 H new ATOM 0 HG2 LYS A 24 -8.165 21.837 -13.814 1.00 2.24 H new ATOM 0 HG3 LYS A 24 -7.106 21.251 -15.082 1.00 2.24 H new ATOM 0 HD2 LYS A 24 -9.563 19.637 -14.471 1.00 13.12 H new ATOM 0 HD3 LYS A 24 -9.785 21.168 -15.293 1.00 13.12 H new ATOM 0 HE2 LYS A 24 -7.727 19.173 -16.272 1.00 73.13 H new ATOM 0 HE3 LYS A 24 -9.414 19.007 -16.717 1.00 73.13 H new ATOM 0 HZ1 LYS A 24 -8.881 20.379 -18.379 1.00 34.50 H new ATOM 0 HZ2 LYS A 24 -8.940 21.624 -17.226 1.00 34.50 H new ATOM 0 HZ3 LYS A 24 -7.453 20.914 -17.633 1.00 34.50 H new ATOM 367 N LYS A 25 -7.456 17.429 -11.875 1.00 13.21 N ATOM 368 CA LYS A 25 -6.925 16.255 -11.193 1.00 1.34 C ATOM 369 C LYS A 25 -5.515 15.935 -11.679 1.00 0.23 C ATOM 370 O LYS A 25 -5.181 16.171 -12.839 1.00 71.54 O ATOM 371 CB LYS A 25 -7.840 15.050 -11.420 1.00 51.00 C ATOM 372 CG LYS A 25 -7.945 14.632 -12.877 1.00 2.05 C ATOM 373 CD LYS A 25 -9.174 15.228 -13.541 1.00 14.52 C ATOM 374 CE LYS A 25 -9.759 14.285 -14.581 1.00 44.33 C ATOM 375 NZ LYS A 25 -10.653 13.266 -13.966 1.00 10.11 N ATOM 0 H LYS A 25 -7.777 17.254 -12.827 1.00 13.21 H new ATOM 0 HA LYS A 25 -6.882 16.474 -10.126 1.00 1.34 H new ATOM 0 HB2 LYS A 25 -7.470 14.208 -10.835 1.00 51.00 H new ATOM 0 HB3 LYS A 25 -8.836 15.285 -11.045 1.00 51.00 H new ATOM 0 HG2 LYS A 25 -7.051 14.950 -13.413 1.00 2.05 H new ATOM 0 HG3 LYS A 25 -7.986 13.545 -12.942 1.00 2.05 H new ATOM 0 HD2 LYS A 25 -9.927 15.448 -12.784 1.00 14.52 H new ATOM 0 HD3 LYS A 25 -8.911 16.174 -14.014 1.00 14.52 H new ATOM 0 HE2 LYS A 25 -10.318 14.860 -15.319 1.00 44.33 H new ATOM 0 HE3 LYS A 25 -8.950 13.784 -15.113 1.00 44.33 H new ATOM 0 HZ1 LYS A 25 -11.031 12.643 -14.708 1.00 10.11 H new ATOM 0 HZ2 LYS A 25 -10.114 12.700 -13.280 1.00 10.11 H new ATOM 0 HZ3 LYS A 25 -11.439 13.742 -13.480 1.00 10.11 H new ATOM 389 N GLU A 26 -4.693 15.396 -10.783 1.00 52.34 N ATOM 390 CA GLU A 26 -3.320 15.044 -11.123 1.00 64.31 C ATOM 391 C GLU A 26 -3.286 13.922 -12.157 1.00 43.02 C ATOM 392 O GLU A 26 -2.260 13.682 -12.795 1.00 33.23 O ATOM 393 CB GLU A 26 -2.553 14.619 -9.869 1.00 14.14 C ATOM 394 CG GLU A 26 -3.202 13.466 -9.121 1.00 3.35 C ATOM 395 CD GLU A 26 -2.747 12.112 -9.629 1.00 31.13 C ATOM 396 OE1 GLU A 26 -1.909 12.075 -10.553 1.00 41.33 O ATOM 397 OE2 GLU A 26 -3.230 11.088 -9.101 1.00 11.33 O ATOM 0 H GLU A 26 -4.954 15.194 -9.818 1.00 52.34 H new ATOM 0 HA GLU A 26 -2.842 15.925 -11.552 1.00 64.31 H new ATOM 0 HB2 GLU A 26 -1.540 14.333 -10.152 1.00 14.14 H new ATOM 0 HB3 GLU A 26 -2.467 15.474 -9.198 1.00 14.14 H new ATOM 0 HG2 GLU A 26 -2.968 13.549 -8.060 1.00 3.35 H new ATOM 0 HG3 GLU A 26 -4.285 13.540 -9.216 1.00 3.35 H new ATOM 404 N ASP A 27 -4.414 13.239 -12.317 1.00 64.30 N ATOM 405 CA ASP A 27 -4.514 12.142 -13.273 1.00 54.55 C ATOM 406 C ASP A 27 -4.850 12.666 -14.667 1.00 23.14 C ATOM 407 O ASP A 27 -5.176 11.894 -15.567 1.00 75.04 O ATOM 408 CB ASP A 27 -5.578 11.140 -12.822 1.00 63.23 C ATOM 409 CG ASP A 27 -5.039 10.136 -11.821 1.00 55.34 C ATOM 410 OD1 ASP A 27 -3.812 9.906 -11.813 1.00 61.35 O ATOM 411 OD2 ASP A 27 -5.846 9.582 -11.045 1.00 44.34 O ATOM 0 H ASP A 27 -5.272 13.425 -11.797 1.00 64.30 H new ATOM 0 HA ASP A 27 -3.548 11.640 -13.315 1.00 54.55 H new ATOM 0 HB2 ASP A 27 -6.415 11.678 -12.378 1.00 63.23 H new ATOM 0 HB3 ASP A 27 -5.966 10.610 -13.692 1.00 63.23 H new ATOM 416 N GLU A 28 -4.767 13.982 -14.835 1.00 12.05 N ATOM 417 CA GLU A 28 -5.064 14.608 -16.118 1.00 30.23 C ATOM 418 C GLU A 28 -3.924 14.387 -17.108 1.00 21.54 C ATOM 419 O GLU A 28 -4.031 14.740 -18.282 1.00 63.24 O ATOM 420 CB GLU A 28 -5.311 16.107 -15.934 1.00 72.43 C ATOM 421 CG GLU A 28 -6.776 16.463 -15.741 1.00 64.11 C ATOM 422 CD GLU A 28 -7.477 16.776 -17.048 1.00 72.04 C ATOM 423 OE1 GLU A 28 -6.948 17.598 -17.825 1.00 3.34 O ATOM 424 OE2 GLU A 28 -8.556 16.198 -17.295 1.00 35.30 O ATOM 0 H GLU A 28 -4.497 14.635 -14.099 1.00 12.05 H new ATOM 0 HA GLU A 28 -5.966 14.145 -16.519 1.00 30.23 H new ATOM 0 HB2 GLU A 28 -4.744 16.457 -15.071 1.00 72.43 H new ATOM 0 HB3 GLU A 28 -4.928 16.639 -16.805 1.00 72.43 H new ATOM 0 HG2 GLU A 28 -7.286 15.635 -15.249 1.00 64.11 H new ATOM 0 HG3 GLU A 28 -6.852 17.324 -15.077 1.00 64.11 H new ATOM 431 N ILE A 29 -2.834 13.801 -16.624 1.00 61.50 N ATOM 432 CA ILE A 29 -1.675 13.532 -17.466 1.00 25.34 C ATOM 433 C ILE A 29 -2.073 12.764 -18.721 1.00 61.33 C ATOM 434 O ILE A 29 -2.424 11.585 -18.657 1.00 62.11 O ATOM 435 CB ILE A 29 -0.601 12.730 -16.706 1.00 32.01 C ATOM 436 CG1 ILE A 29 -0.169 13.482 -15.445 1.00 72.51 C ATOM 437 CG2 ILE A 29 0.596 12.462 -17.606 1.00 11.31 C ATOM 438 CD1 ILE A 29 0.427 14.843 -15.728 1.00 31.25 C ATOM 0 H ILE A 29 -2.729 13.504 -15.654 1.00 61.50 H new ATOM 0 HA ILE A 29 -1.261 14.499 -17.751 1.00 25.34 H new ATOM 0 HB ILE A 29 -1.027 11.772 -16.407 1.00 32.01 H new ATOM 0 HG12 ILE A 29 -1.032 13.601 -14.789 1.00 72.51 H new ATOM 0 HG13 ILE A 29 0.561 12.880 -14.905 1.00 72.51 H new ATOM 0 HG21 ILE A 29 1.346 11.895 -17.055 1.00 11.31 H new ATOM 0 HG22 ILE A 29 0.276 11.890 -18.477 1.00 11.31 H new ATOM 0 HG23 ILE A 29 1.025 13.409 -17.932 1.00 11.31 H new ATOM 0 HD11 ILE A 29 0.710 15.318 -14.789 1.00 31.25 H new ATOM 0 HD12 ILE A 29 1.309 14.730 -16.358 1.00 31.25 H new ATOM 0 HD13 ILE A 29 -0.308 15.463 -16.241 1.00 31.25 H new ATOM 450 N THR A 30 -2.015 13.439 -19.865 1.00 1.10 N ATOM 451 CA THR A 30 -2.369 12.821 -21.136 1.00 63.14 C ATOM 452 C THR A 30 -1.928 13.688 -22.311 1.00 35.34 C ATOM 453 O THR A 30 -1.759 14.900 -22.173 1.00 21.45 O ATOM 454 CB THR A 30 -3.885 12.572 -21.237 1.00 74.22 C ATOM 455 OG1 THR A 30 -4.215 12.079 -22.541 1.00 34.05 O ATOM 456 CG2 THR A 30 -4.663 13.850 -20.961 1.00 32.43 C ATOM 0 H THR A 30 -1.726 14.415 -19.937 1.00 1.10 H new ATOM 0 HA THR A 30 -1.848 11.865 -21.178 1.00 63.14 H new ATOM 0 HB THR A 30 -4.159 11.829 -20.488 1.00 74.22 H new ATOM 0 HG1 THR A 30 -5.181 11.922 -22.596 1.00 34.05 H new ATOM 0 HG21 THR A 30 -5.732 13.649 -21.038 1.00 32.43 H new ATOM 0 HG22 THR A 30 -4.432 14.207 -19.957 1.00 32.43 H new ATOM 0 HG23 THR A 30 -4.383 14.611 -21.690 1.00 32.43 H new ATOM 464 N THR A 31 -1.745 13.060 -23.468 1.00 21.41 N ATOM 465 CA THR A 31 -1.324 13.774 -24.667 1.00 21.44 C ATOM 466 C THR A 31 -2.506 14.458 -25.343 1.00 74.40 C ATOM 467 O THR A 31 -2.332 15.243 -26.275 1.00 24.10 O ATOM 468 CB THR A 31 -0.647 12.827 -25.676 1.00 0.02 C ATOM 469 OG1 THR A 31 -0.333 13.537 -26.879 1.00 3.11 O ATOM 470 CG2 THR A 31 -1.549 11.646 -25.999 1.00 75.11 C ATOM 0 H THR A 31 -1.882 12.058 -23.600 1.00 21.41 H new ATOM 0 HA THR A 31 -0.605 14.529 -24.349 1.00 21.44 H new ATOM 0 HB THR A 31 0.272 12.450 -25.227 1.00 0.02 H new ATOM 0 HG1 THR A 31 -0.940 14.300 -26.976 1.00 3.11 H new ATOM 0 HG21 THR A 31 -1.050 10.991 -26.713 1.00 75.11 H new ATOM 0 HG22 THR A 31 -1.762 11.091 -25.086 1.00 75.11 H new ATOM 0 HG23 THR A 31 -2.482 12.008 -26.430 1.00 75.11 H new ATOM 478 N ASP A 32 -3.710 14.155 -24.868 1.00 44.10 N ATOM 479 CA ASP A 32 -4.922 14.743 -25.426 1.00 61.33 C ATOM 480 C ASP A 32 -5.341 15.978 -24.636 1.00 2.33 C ATOM 481 O ASP A 32 -6.445 16.494 -24.810 1.00 2.12 O ATOM 482 CB ASP A 32 -6.056 13.717 -25.431 1.00 70.53 C ATOM 483 CG ASP A 32 -7.024 13.929 -26.579 1.00 21.13 C ATOM 484 OD1 ASP A 32 -6.560 14.237 -27.696 1.00 70.43 O ATOM 485 OD2 ASP A 32 -8.245 13.788 -26.359 1.00 14.22 O ATOM 0 H ASP A 32 -3.872 13.506 -24.098 1.00 44.10 H new ATOM 0 HA ASP A 32 -4.710 15.045 -26.452 1.00 61.33 H new ATOM 0 HB2 ASP A 32 -5.634 12.714 -25.496 1.00 70.53 H new ATOM 0 HB3 ASP A 32 -6.598 13.774 -24.487 1.00 70.53 H new ATOM 490 N SER A 33 -4.452 16.447 -23.766 1.00 11.25 N ATOM 491 CA SER A 33 -4.731 17.619 -22.944 1.00 53.32 C ATOM 492 C SER A 33 -3.766 18.754 -23.271 1.00 43.32 C ATOM 493 O SER A 33 -4.183 19.850 -23.647 1.00 62.12 O ATOM 494 CB SER A 33 -4.634 17.263 -21.460 1.00 5.14 C ATOM 495 OG SER A 33 -3.333 16.808 -21.129 1.00 21.00 O ATOM 0 H SER A 33 -3.532 16.033 -23.612 1.00 11.25 H new ATOM 0 HA SER A 33 -5.745 17.953 -23.164 1.00 53.32 H new ATOM 0 HB2 SER A 33 -4.882 18.136 -20.856 1.00 5.14 H new ATOM 0 HB3 SER A 33 -5.365 16.491 -21.219 1.00 5.14 H new ATOM 0 HG SER A 33 -3.037 16.151 -21.794 1.00 21.00 H new ATOM 501 N ARG A 34 -2.473 18.483 -23.125 1.00 2.41 N ATOM 502 CA ARG A 34 -1.447 19.481 -23.403 1.00 41.21 C ATOM 503 C ARG A 34 -1.559 20.659 -22.439 1.00 65.04 C ATOM 504 O ARG A 34 -2.311 20.609 -21.466 1.00 52.33 O ATOM 505 CB ARG A 34 -1.564 19.976 -24.846 1.00 15.12 C ATOM 506 CG ARG A 34 -1.701 18.856 -25.865 1.00 12.44 C ATOM 507 CD ARG A 34 -1.559 19.376 -27.286 1.00 43.44 C ATOM 508 NE ARG A 34 -0.160 19.566 -27.662 1.00 73.13 N ATOM 509 CZ ARG A 34 0.248 19.730 -28.916 1.00 0.34 C ATOM 510 NH1 ARG A 34 -0.631 19.729 -29.908 1.00 61.23 N ATOM 511 NH2 ARG A 34 1.538 19.897 -29.178 1.00 0.10 N ATOM 0 H ARG A 34 -2.111 17.581 -22.816 1.00 2.41 H new ATOM 0 HA ARG A 34 -0.473 19.012 -23.265 1.00 41.21 H new ATOM 0 HB2 ARG A 34 -2.428 20.636 -24.926 1.00 15.12 H new ATOM 0 HB3 ARG A 34 -0.684 20.572 -25.089 1.00 15.12 H new ATOM 0 HG2 ARG A 34 -0.942 18.097 -25.677 1.00 12.44 H new ATOM 0 HG3 ARG A 34 -2.671 18.373 -25.748 1.00 12.44 H new ATOM 0 HD2 ARG A 34 -2.028 18.676 -27.977 1.00 43.44 H new ATOM 0 HD3 ARG A 34 -2.092 20.322 -27.381 1.00 43.44 H new ATOM 0 HE ARG A 34 0.542 19.573 -26.922 1.00 73.13 H new ATOM 0 HH11 ARG A 34 -1.623 19.602 -29.710 1.00 61.23 H new ATOM 0 HH12 ARG A 34 -0.315 19.855 -30.870 1.00 61.23 H new ATOM 0 HH21 ARG A 34 2.217 19.900 -28.417 1.00 0.10 H new ATOM 0 HH22 ARG A 34 1.851 20.023 -30.141 1.00 0.10 H new ATOM 525 N PHE A 35 -0.804 21.717 -22.717 1.00 1.15 N ATOM 526 CA PHE A 35 -0.817 22.907 -21.874 1.00 3.13 C ATOM 527 C PHE A 35 -2.177 23.596 -21.925 1.00 74.44 C ATOM 528 O PHE A 35 -2.630 24.176 -20.939 1.00 1.53 O ATOM 529 CB PHE A 35 0.278 23.882 -22.314 1.00 33.40 C ATOM 530 CG PHE A 35 1.656 23.284 -22.294 1.00 54.33 C ATOM 531 CD1 PHE A 35 2.105 22.583 -21.187 1.00 43.10 C ATOM 532 CD2 PHE A 35 2.501 23.423 -23.383 1.00 40.41 C ATOM 533 CE1 PHE A 35 3.373 22.033 -21.166 1.00 41.22 C ATOM 534 CE2 PHE A 35 3.770 22.875 -23.368 1.00 52.32 C ATOM 535 CZ PHE A 35 4.206 22.178 -22.258 1.00 51.35 C ATOM 0 H PHE A 35 -0.176 21.775 -23.519 1.00 1.15 H new ATOM 0 HA PHE A 35 -0.626 22.596 -20.847 1.00 3.13 H new ATOM 0 HB2 PHE A 35 0.057 24.233 -23.322 1.00 33.40 H new ATOM 0 HB3 PHE A 35 0.260 24.755 -21.662 1.00 33.40 H new ATOM 0 HD1 PHE A 35 1.457 22.465 -20.331 1.00 43.10 H new ATOM 0 HD2 PHE A 35 2.164 23.966 -24.254 1.00 40.41 H new ATOM 0 HE1 PHE A 35 3.712 21.490 -20.296 1.00 41.22 H new ATOM 0 HE2 PHE A 35 4.420 22.992 -24.223 1.00 52.32 H new ATOM 0 HZ PHE A 35 5.196 21.747 -22.244 1.00 51.35 H new ATOM 545 N VAL A 36 -2.825 23.527 -23.084 1.00 72.41 N ATOM 546 CA VAL A 36 -4.134 24.142 -23.266 1.00 13.31 C ATOM 547 C VAL A 36 -5.125 23.646 -22.219 1.00 73.53 C ATOM 548 O VAL A 36 -5.777 24.440 -21.541 1.00 65.54 O ATOM 549 CB VAL A 36 -4.700 23.855 -24.670 1.00 23.25 C ATOM 550 CG1 VAL A 36 -4.010 24.723 -25.711 1.00 55.11 C ATOM 551 CG2 VAL A 36 -4.552 22.380 -25.011 1.00 72.30 C ATOM 0 H VAL A 36 -2.464 23.051 -23.911 1.00 72.41 H new ATOM 0 HA VAL A 36 -3.997 25.217 -23.151 1.00 13.31 H new ATOM 0 HB VAL A 36 -5.762 24.101 -24.673 1.00 23.25 H new ATOM 0 HG11 VAL A 36 -4.423 24.507 -26.696 1.00 55.11 H new ATOM 0 HG12 VAL A 36 -4.171 25.774 -25.473 1.00 55.11 H new ATOM 0 HG13 VAL A 36 -2.941 24.511 -25.711 1.00 55.11 H new ATOM 0 HG21 VAL A 36 -4.957 22.194 -26.006 1.00 72.30 H new ATOM 0 HG22 VAL A 36 -3.497 22.106 -24.991 1.00 72.30 H new ATOM 0 HG23 VAL A 36 -5.096 21.781 -24.280 1.00 72.30 H new ATOM 561 N GLU A 37 -5.233 22.327 -22.093 1.00 74.54 N ATOM 562 CA GLU A 37 -6.146 21.724 -21.129 1.00 1.12 C ATOM 563 C GLU A 37 -5.499 21.636 -19.749 1.00 51.14 C ATOM 564 O GLU A 37 -6.027 22.163 -18.770 1.00 3.51 O ATOM 565 CB GLU A 37 -6.569 20.330 -21.596 1.00 32.25 C ATOM 566 CG GLU A 37 -7.789 20.335 -22.502 1.00 45.51 C ATOM 567 CD GLU A 37 -7.591 21.188 -23.741 1.00 23.24 C ATOM 568 OE1 GLU A 37 -7.575 22.430 -23.609 1.00 33.31 O ATOM 569 OE2 GLU A 37 -7.452 20.614 -24.841 1.00 23.23 O ATOM 0 H GLU A 37 -4.700 21.656 -22.646 1.00 74.54 H new ATOM 0 HA GLU A 37 -7.029 22.358 -21.058 1.00 1.12 H new ATOM 0 HB2 GLU A 37 -5.737 19.865 -22.124 1.00 32.25 H new ATOM 0 HB3 GLU A 37 -6.778 19.712 -20.723 1.00 32.25 H new ATOM 0 HG2 GLU A 37 -8.019 19.313 -22.802 1.00 45.51 H new ATOM 0 HG3 GLU A 37 -8.650 20.705 -21.945 1.00 45.51 H new ATOM 576 N ASP A 38 -4.354 20.966 -19.681 1.00 72.12 N ATOM 577 CA ASP A 38 -3.634 20.808 -18.423 1.00 12.51 C ATOM 578 C ASP A 38 -3.283 22.167 -17.824 1.00 70.11 C ATOM 579 O ASP A 38 -3.767 22.528 -16.750 1.00 65.32 O ATOM 580 CB ASP A 38 -2.362 19.988 -18.638 1.00 63.30 C ATOM 581 CG ASP A 38 -1.780 19.470 -17.337 1.00 44.43 C ATOM 582 OD1 ASP A 38 -2.353 18.519 -16.768 1.00 35.11 O ATOM 583 OD2 ASP A 38 -0.751 20.018 -16.888 1.00 65.32 O ATOM 0 H ASP A 38 -3.904 20.523 -20.483 1.00 72.12 H new ATOM 0 HA ASP A 38 -4.283 20.280 -17.725 1.00 12.51 H new ATOM 0 HB2 ASP A 38 -2.582 19.146 -19.295 1.00 63.30 H new ATOM 0 HB3 ASP A 38 -1.619 20.602 -19.146 1.00 63.30 H new ATOM 588 N LEU A 39 -2.438 22.916 -18.524 1.00 74.34 N ATOM 589 CA LEU A 39 -2.021 24.235 -18.062 1.00 30.22 C ATOM 590 C LEU A 39 -3.116 25.269 -18.304 1.00 72.50 C ATOM 591 O LEU A 39 -4.121 24.982 -18.953 1.00 33.22 O ATOM 592 CB LEU A 39 -0.735 24.662 -18.771 1.00 3.22 C ATOM 593 CG LEU A 39 0.371 25.223 -17.876 1.00 15.45 C ATOM 594 CD1 LEU A 39 1.719 24.634 -18.259 1.00 10.01 C ATOM 595 CD2 LEU A 39 0.406 26.742 -17.961 1.00 45.33 C ATOM 0 H LEU A 39 -2.028 22.632 -19.414 1.00 74.34 H new ATOM 0 HA LEU A 39 -1.835 24.175 -16.990 1.00 30.22 H new ATOM 0 HB2 LEU A 39 -0.338 23.801 -19.309 1.00 3.22 H new ATOM 0 HB3 LEU A 39 -0.988 25.415 -19.517 1.00 3.22 H new ATOM 0 HG LEU A 39 0.156 24.942 -16.845 1.00 15.45 H new ATOM 0 HD11 LEU A 39 2.493 25.045 -17.611 1.00 10.01 H new ATOM 0 HD12 LEU A 39 1.688 23.550 -18.145 1.00 10.01 H new ATOM 0 HD13 LEU A 39 1.944 24.883 -19.296 1.00 10.01 H new ATOM 0 HD21 LEU A 39 1.199 27.124 -17.318 1.00 45.33 H new ATOM 0 HD22 LEU A 39 0.596 27.044 -18.991 1.00 45.33 H new ATOM 0 HD23 LEU A 39 -0.552 27.147 -17.635 1.00 45.33 H new ATOM 607 N ASN A 40 -2.913 26.473 -17.780 1.00 24.35 N ATOM 608 CA ASN A 40 -3.882 27.550 -17.940 1.00 52.22 C ATOM 609 C ASN A 40 -3.375 28.596 -18.929 1.00 23.34 C ATOM 610 O ASN A 40 -3.595 29.793 -18.749 1.00 72.00 O ATOM 611 CB ASN A 40 -4.174 28.208 -16.590 1.00 24.22 C ATOM 612 CG ASN A 40 -2.932 28.807 -15.958 1.00 64.53 C ATOM 613 OD1 ASN A 40 -2.087 27.954 -15.390 1.00 1.42 O flip ATOM 614 ND2 ASN A 40 -2.734 30.021 -15.982 1.00 32.31 N flip ATOM 0 H ASN A 40 -2.085 26.727 -17.241 1.00 24.35 H new ATOM 0 HA ASN A 40 -4.803 27.120 -18.333 1.00 52.22 H new ATOM 0 HB2 ASN A 40 -4.923 28.989 -16.724 1.00 24.22 H new ATOM 0 HB3 ASN A 40 -4.602 27.468 -15.913 1.00 24.22 H new ATOM 0 HD21 ASN A 40 -3.411 30.639 -16.430 1.00 32.31 H new ATOM 0 HD22 ASN A 40 -1.893 30.409 -15.554 1.00 32.31 H new ATOM 621 N ALA A 41 -2.694 28.134 -19.973 1.00 35.12 N ATOM 622 CA ALA A 41 -2.158 29.028 -20.991 1.00 40.21 C ATOM 623 C ALA A 41 -1.816 28.266 -22.267 1.00 34.43 C ATOM 624 O ALA A 41 -2.048 27.060 -22.362 1.00 13.25 O ATOM 625 CB ALA A 41 -0.929 29.753 -20.462 1.00 53.44 C ATOM 0 H ALA A 41 -2.501 27.146 -20.135 1.00 35.12 H new ATOM 0 HA ALA A 41 -2.925 29.764 -21.233 1.00 40.21 H new ATOM 0 HB1 ALA A 41 -0.539 30.418 -21.233 1.00 53.44 H new ATOM 0 HB2 ALA A 41 -1.201 30.337 -19.583 1.00 53.44 H new ATOM 0 HB3 ALA A 41 -0.165 29.024 -20.191 1.00 53.44 H new ATOM 631 N ASP A 42 -1.265 28.975 -23.245 1.00 54.40 N ATOM 632 CA ASP A 42 -0.892 28.365 -24.516 1.00 25.25 C ATOM 633 C ASP A 42 0.614 28.130 -24.583 1.00 43.14 C ATOM 634 O ASP A 42 1.382 28.743 -23.842 1.00 21.14 O ATOM 635 CB ASP A 42 -1.335 29.250 -25.681 1.00 52.02 C ATOM 636 CG ASP A 42 -2.830 29.504 -25.679 1.00 61.11 C ATOM 637 OD1 ASP A 42 -3.591 28.564 -25.987 1.00 34.51 O ATOM 638 OD2 ASP A 42 -3.238 30.643 -25.371 1.00 11.35 O ATOM 0 H ASP A 42 -1.066 29.974 -23.182 1.00 54.40 H new ATOM 0 HA ASP A 42 -1.396 27.402 -24.591 1.00 25.25 H new ATOM 0 HB2 ASP A 42 -0.807 30.203 -25.631 1.00 52.02 H new ATOM 0 HB3 ASP A 42 -1.051 28.777 -26.621 1.00 52.02 H new ATOM 643 N SER A 43 1.029 27.238 -25.477 1.00 44.22 N ATOM 644 CA SER A 43 2.443 26.919 -25.638 1.00 70.45 C ATOM 645 C SER A 43 3.270 28.188 -25.816 1.00 2.21 C ATOM 646 O SER A 43 4.459 28.218 -25.496 1.00 3.52 O ATOM 647 CB SER A 43 2.644 25.993 -26.840 1.00 5.01 C ATOM 648 OG SER A 43 2.702 26.731 -28.048 1.00 54.03 O ATOM 0 H SER A 43 0.407 26.724 -26.100 1.00 44.22 H new ATOM 0 HA SER A 43 2.781 26.410 -24.735 1.00 70.45 H new ATOM 0 HB2 SER A 43 3.564 25.423 -26.714 1.00 5.01 H new ATOM 0 HB3 SER A 43 1.827 25.273 -26.889 1.00 5.01 H new ATOM 0 HG SER A 43 2.833 26.117 -28.801 1.00 54.03 H new ATOM 654 N LEU A 44 2.633 29.235 -26.328 1.00 52.02 N ATOM 655 CA LEU A 44 3.308 30.509 -26.549 1.00 42.11 C ATOM 656 C LEU A 44 4.029 30.970 -25.286 1.00 35.30 C ATOM 657 O LEU A 44 5.207 31.325 -25.326 1.00 33.33 O ATOM 658 CB LEU A 44 2.302 31.572 -26.992 1.00 54.33 C ATOM 659 CG LEU A 44 1.440 31.217 -28.205 1.00 21.04 C ATOM 660 CD1 LEU A 44 0.104 31.941 -28.141 1.00 45.31 C ATOM 661 CD2 LEU A 44 2.171 31.555 -29.496 1.00 22.22 C ATOM 0 H LEU A 44 1.649 29.227 -26.598 1.00 52.02 H new ATOM 0 HA LEU A 44 4.048 30.368 -27.337 1.00 42.11 H new ATOM 0 HB2 LEU A 44 1.641 31.790 -26.153 1.00 54.33 H new ATOM 0 HB3 LEU A 44 2.847 32.489 -27.215 1.00 54.33 H new ATOM 0 HG LEU A 44 1.249 30.144 -28.189 1.00 21.04 H new ATOM 0 HD11 LEU A 44 -0.495 31.676 -29.012 1.00 45.31 H new ATOM 0 HD12 LEU A 44 -0.425 31.649 -27.234 1.00 45.31 H new ATOM 0 HD13 LEU A 44 0.274 33.018 -28.131 1.00 45.31 H new ATOM 0 HD21 LEU A 44 1.543 31.296 -30.348 1.00 22.22 H new ATOM 0 HD22 LEU A 44 2.393 32.622 -29.520 1.00 22.22 H new ATOM 0 HD23 LEU A 44 3.102 30.990 -29.546 1.00 22.22 H new ATOM 673 N ASP A 45 3.314 30.959 -24.166 1.00 54.24 N ATOM 674 CA ASP A 45 3.885 31.373 -22.890 1.00 63.32 C ATOM 675 C ASP A 45 4.719 30.251 -22.279 1.00 72.41 C ATOM 676 O ASP A 45 5.605 30.498 -21.460 1.00 73.33 O ATOM 677 CB ASP A 45 2.777 31.788 -21.921 1.00 62.50 C ATOM 678 CG ASP A 45 3.317 32.195 -20.564 1.00 42.44 C ATOM 679 OD1 ASP A 45 4.210 33.067 -20.519 1.00 62.14 O ATOM 680 OD2 ASP A 45 2.847 31.642 -19.548 1.00 4.43 O ATOM 0 H ASP A 45 2.338 30.668 -24.116 1.00 54.24 H new ATOM 0 HA ASP A 45 4.536 32.228 -23.072 1.00 63.32 H new ATOM 0 HB2 ASP A 45 2.216 32.618 -22.349 1.00 62.50 H new ATOM 0 HB3 ASP A 45 2.078 30.961 -21.797 1.00 62.50 H new ATOM 685 N ILE A 46 4.428 29.018 -22.682 1.00 2.24 N ATOM 686 CA ILE A 46 5.151 27.859 -22.174 1.00 30.25 C ATOM 687 C ILE A 46 6.554 27.782 -22.767 1.00 12.35 C ATOM 688 O ILE A 46 7.463 27.209 -22.165 1.00 52.43 O ATOM 689 CB ILE A 46 4.403 26.549 -22.483 1.00 73.23 C ATOM 690 CG1 ILE A 46 2.978 26.606 -21.927 1.00 64.23 C ATOM 691 CG2 ILE A 46 5.155 25.360 -21.906 1.00 24.44 C ATOM 692 CD1 ILE A 46 2.922 26.703 -20.419 1.00 0.22 C ATOM 0 H ILE A 46 3.697 28.797 -23.358 1.00 2.24 H new ATOM 0 HA ILE A 46 5.222 27.981 -21.093 1.00 30.25 H new ATOM 0 HB ILE A 46 4.346 26.427 -23.565 1.00 73.23 H new ATOM 0 HG12 ILE A 46 2.463 27.464 -22.358 1.00 64.23 H new ATOM 0 HG13 ILE A 46 2.436 25.716 -22.246 1.00 64.23 H new ATOM 0 HG21 ILE A 46 4.613 24.442 -22.133 1.00 24.44 H new ATOM 0 HG22 ILE A 46 6.151 25.312 -22.345 1.00 24.44 H new ATOM 0 HG23 ILE A 46 5.240 25.473 -20.825 1.00 24.44 H new ATOM 0 HD11 ILE A 46 1.882 26.739 -20.095 1.00 0.22 H new ATOM 0 HD12 ILE A 46 3.408 25.832 -19.980 1.00 0.22 H new ATOM 0 HD13 ILE A 46 3.435 27.608 -20.093 1.00 0.22 H new ATOM 704 N TYR A 47 6.723 28.365 -23.948 1.00 71.43 N ATOM 705 CA TYR A 47 8.015 28.362 -24.624 1.00 2.24 C ATOM 706 C TYR A 47 9.122 28.829 -23.683 1.00 61.12 C ATOM 707 O TYR A 47 10.174 28.198 -23.584 1.00 73.31 O ATOM 708 CB TYR A 47 7.969 29.260 -25.861 1.00 3.41 C ATOM 709 CG TYR A 47 9.291 29.355 -26.589 1.00 52.44 C ATOM 710 CD1 TYR A 47 10.266 30.258 -26.185 1.00 44.21 C ATOM 711 CD2 TYR A 47 9.564 28.541 -27.682 1.00 1.31 C ATOM 712 CE1 TYR A 47 11.475 30.349 -26.848 1.00 73.24 C ATOM 713 CE2 TYR A 47 10.770 28.624 -28.350 1.00 63.03 C ATOM 714 CZ TYR A 47 11.722 29.530 -27.930 1.00 61.51 C ATOM 715 OH TYR A 47 12.925 29.616 -28.593 1.00 21.33 O ATOM 0 H TYR A 47 5.982 28.846 -24.457 1.00 71.43 H new ATOM 0 HA TYR A 47 8.233 27.340 -24.934 1.00 2.24 H new ATOM 0 HB2 TYR A 47 7.212 28.880 -26.547 1.00 3.41 H new ATOM 0 HB3 TYR A 47 7.655 30.260 -25.562 1.00 3.41 H new ATOM 0 HD1 TYR A 47 10.076 30.900 -25.338 1.00 44.21 H new ATOM 0 HD2 TYR A 47 8.821 27.832 -28.015 1.00 1.31 H new ATOM 0 HE1 TYR A 47 12.222 31.057 -26.521 1.00 73.24 H new ATOM 0 HE2 TYR A 47 10.967 27.983 -29.197 1.00 63.03 H new ATOM 0 HH TYR A 47 12.939 28.970 -29.330 1.00 21.33 H new ATOM 725 N GLU A 48 8.876 29.939 -22.995 1.00 13.05 N ATOM 726 CA GLU A 48 9.851 30.491 -22.062 1.00 3.01 C ATOM 727 C GLU A 48 9.948 29.632 -20.804 1.00 44.14 C ATOM 728 O GLU A 48 11.034 29.433 -20.257 1.00 72.21 O ATOM 729 CB GLU A 48 9.475 31.925 -21.685 1.00 52.52 C ATOM 730 CG GLU A 48 9.511 32.892 -22.857 1.00 74.11 C ATOM 731 CD GLU A 48 9.055 34.287 -22.477 1.00 10.33 C ATOM 732 OE1 GLU A 48 8.248 34.412 -21.532 1.00 74.43 O ATOM 733 OE2 GLU A 48 9.507 35.255 -23.124 1.00 13.20 O ATOM 0 H GLU A 48 8.010 30.474 -23.066 1.00 13.05 H new ATOM 0 HA GLU A 48 10.824 30.495 -22.554 1.00 3.01 H new ATOM 0 HB2 GLU A 48 8.474 31.928 -21.253 1.00 52.52 H new ATOM 0 HB3 GLU A 48 10.157 32.279 -20.912 1.00 52.52 H new ATOM 0 HG2 GLU A 48 10.526 32.941 -23.252 1.00 74.11 H new ATOM 0 HG3 GLU A 48 8.876 32.511 -23.657 1.00 74.11 H new ATOM 740 N LEU A 49 8.807 29.126 -20.351 1.00 53.31 N ATOM 741 CA LEU A 49 8.761 28.289 -19.158 1.00 24.34 C ATOM 742 C LEU A 49 9.776 27.154 -19.250 1.00 61.30 C ATOM 743 O LEU A 49 10.683 27.048 -18.423 1.00 12.11 O ATOM 744 CB LEU A 49 7.356 27.717 -18.965 1.00 33.01 C ATOM 745 CG LEU A 49 6.441 28.490 -18.014 1.00 24.25 C ATOM 746 CD1 LEU A 49 6.023 29.814 -18.633 1.00 41.03 C ATOM 747 CD2 LEU A 49 5.219 27.657 -17.655 1.00 3.25 C ATOM 0 H LEU A 49 7.901 29.281 -20.792 1.00 53.31 H new ATOM 0 HA LEU A 49 9.014 28.910 -18.299 1.00 24.34 H new ATOM 0 HB2 LEU A 49 6.871 27.662 -19.939 1.00 33.01 H new ATOM 0 HB3 LEU A 49 7.449 26.695 -18.597 1.00 33.01 H new ATOM 0 HG LEU A 49 6.995 28.700 -17.099 1.00 24.25 H new ATOM 0 HD11 LEU A 49 5.372 30.350 -17.942 1.00 41.03 H new ATOM 0 HD12 LEU A 49 6.909 30.416 -18.838 1.00 41.03 H new ATOM 0 HD13 LEU A 49 5.488 29.627 -19.564 1.00 41.03 H new ATOM 0 HD21 LEU A 49 4.579 28.223 -16.978 1.00 3.25 H new ATOM 0 HD22 LEU A 49 4.664 27.416 -18.562 1.00 3.25 H new ATOM 0 HD23 LEU A 49 5.537 26.735 -17.168 1.00 3.25 H new ATOM 759 N LEU A 50 9.619 26.308 -20.262 1.00 61.22 N ATOM 760 CA LEU A 50 10.523 25.181 -20.465 1.00 22.01 C ATOM 761 C LEU A 50 11.917 25.664 -20.852 1.00 3.12 C ATOM 762 O LEU A 50 12.923 25.140 -20.371 1.00 55.30 O ATOM 763 CB LEU A 50 9.975 24.250 -21.548 1.00 12.21 C ATOM 764 CG LEU A 50 9.469 24.928 -22.822 1.00 32.51 C ATOM 765 CD1 LEU A 50 10.365 24.584 -24.001 1.00 61.34 C ATOM 766 CD2 LEU A 50 8.030 24.521 -23.107 1.00 2.13 C ATOM 0 H LEU A 50 8.874 26.381 -20.955 1.00 61.22 H new ATOM 0 HA LEU A 50 10.596 24.632 -19.526 1.00 22.01 H new ATOM 0 HB2 LEU A 50 10.759 23.544 -21.823 1.00 12.21 H new ATOM 0 HB3 LEU A 50 9.158 23.669 -21.120 1.00 12.21 H new ATOM 0 HG LEU A 50 9.498 26.007 -22.673 1.00 32.51 H new ATOM 0 HD11 LEU A 50 9.990 25.075 -24.899 1.00 61.34 H new ATOM 0 HD12 LEU A 50 11.380 24.925 -23.798 1.00 61.34 H new ATOM 0 HD13 LEU A 50 10.369 23.505 -24.153 1.00 61.34 H new ATOM 0 HD21 LEU A 50 7.686 25.013 -24.017 1.00 2.13 H new ATOM 0 HD22 LEU A 50 7.976 23.440 -23.236 1.00 2.13 H new ATOM 0 HD23 LEU A 50 7.396 24.818 -22.272 1.00 2.13 H new ATOM 778 N TYR A 51 11.970 26.667 -21.721 1.00 71.13 N ATOM 779 CA TYR A 51 13.241 27.221 -22.173 1.00 32.11 C ATOM 780 C TYR A 51 14.127 27.588 -20.987 1.00 24.12 C ATOM 781 O TYR A 51 15.324 27.297 -20.977 1.00 62.33 O ATOM 782 CB TYR A 51 13.002 28.454 -23.046 1.00 60.22 C ATOM 783 CG TYR A 51 14.236 29.305 -23.243 1.00 1.05 C ATOM 784 CD1 TYR A 51 15.465 28.725 -23.533 1.00 71.11 C ATOM 785 CD2 TYR A 51 14.174 30.689 -23.137 1.00 31.15 C ATOM 786 CE1 TYR A 51 16.595 29.498 -23.713 1.00 4.44 C ATOM 787 CE2 TYR A 51 15.299 31.470 -23.316 1.00 11.31 C ATOM 788 CZ TYR A 51 16.507 30.871 -23.604 1.00 22.55 C ATOM 789 OH TYR A 51 17.630 31.645 -23.781 1.00 44.45 O ATOM 0 H TYR A 51 11.147 27.113 -22.127 1.00 71.13 H new ATOM 0 HA TYR A 51 13.751 26.460 -22.763 1.00 32.11 H new ATOM 0 HB2 TYR A 51 12.633 28.133 -24.020 1.00 60.22 H new ATOM 0 HB3 TYR A 51 12.219 29.063 -22.594 1.00 60.22 H new ATOM 0 HD1 TYR A 51 15.538 27.651 -23.619 1.00 71.11 H new ATOM 0 HD2 TYR A 51 13.230 31.162 -22.911 1.00 31.15 H new ATOM 0 HE1 TYR A 51 17.542 29.031 -23.938 1.00 4.44 H new ATOM 0 HE2 TYR A 51 15.233 32.545 -23.231 1.00 11.31 H new ATOM 0 HH TYR A 51 17.396 32.590 -23.672 1.00 44.45 H new ATOM 799 N LEU A 52 13.531 28.229 -19.987 1.00 64.43 N ATOM 800 CA LEU A 52 14.265 28.636 -18.794 1.00 61.11 C ATOM 801 C LEU A 52 14.555 27.437 -17.897 1.00 73.30 C ATOM 802 O LEU A 52 15.575 27.395 -17.208 1.00 51.10 O ATOM 803 CB LEU A 52 13.471 29.688 -18.018 1.00 4.23 C ATOM 804 CG LEU A 52 13.799 31.147 -18.338 1.00 13.11 C ATOM 805 CD1 LEU A 52 13.457 31.466 -19.785 1.00 75.30 C ATOM 806 CD2 LEU A 52 13.054 32.080 -17.394 1.00 44.20 C ATOM 0 H LEU A 52 12.542 28.478 -19.979 1.00 64.43 H new ATOM 0 HA LEU A 52 15.215 29.067 -19.111 1.00 61.11 H new ATOM 0 HB2 LEU A 52 12.410 29.525 -18.206 1.00 4.23 H new ATOM 0 HB3 LEU A 52 13.634 29.525 -16.953 1.00 4.23 H new ATOM 0 HG LEU A 52 14.869 31.298 -18.197 1.00 13.11 H new ATOM 0 HD11 LEU A 52 13.697 32.508 -19.994 1.00 75.30 H new ATOM 0 HD12 LEU A 52 14.035 30.821 -20.446 1.00 75.30 H new ATOM 0 HD13 LEU A 52 12.393 31.298 -19.953 1.00 75.30 H new ATOM 0 HD21 LEU A 52 13.299 33.114 -17.636 1.00 44.20 H new ATOM 0 HD22 LEU A 52 11.980 31.927 -17.503 1.00 44.20 H new ATOM 0 HD23 LEU A 52 13.348 31.868 -16.366 1.00 44.20 H new ATOM 818 N LEU A 53 13.652 26.462 -17.912 1.00 2.12 N ATOM 819 CA LEU A 53 13.811 25.260 -17.101 1.00 64.42 C ATOM 820 C LEU A 53 15.065 24.491 -17.507 1.00 51.23 C ATOM 821 O LEU A 53 15.885 24.134 -16.663 1.00 25.30 O ATOM 822 CB LEU A 53 12.581 24.361 -17.240 1.00 23.05 C ATOM 823 CG LEU A 53 11.602 24.378 -16.065 1.00 24.30 C ATOM 824 CD1 LEU A 53 11.271 25.808 -15.667 1.00 33.51 C ATOM 825 CD2 LEU A 53 10.335 23.612 -16.416 1.00 51.21 C ATOM 0 H LEU A 53 12.803 26.481 -18.477 1.00 2.12 H new ATOM 0 HA LEU A 53 13.915 25.565 -16.060 1.00 64.42 H new ATOM 0 HB2 LEU A 53 12.042 24.654 -18.141 1.00 23.05 H new ATOM 0 HB3 LEU A 53 12.920 23.336 -17.390 1.00 23.05 H new ATOM 0 HG LEU A 53 12.075 23.887 -15.215 1.00 24.30 H new ATOM 0 HD11 LEU A 53 10.573 25.800 -14.830 1.00 33.51 H new ATOM 0 HD12 LEU A 53 12.185 26.325 -15.373 1.00 33.51 H new ATOM 0 HD13 LEU A 53 10.817 26.325 -16.512 1.00 33.51 H new ATOM 0 HD21 LEU A 53 9.650 23.634 -15.569 1.00 51.21 H new ATOM 0 HD22 LEU A 53 9.858 24.074 -17.281 1.00 51.21 H new ATOM 0 HD23 LEU A 53 10.588 22.578 -16.651 1.00 51.21 H new ATOM 837 N GLU A 54 15.206 24.243 -18.806 1.00 21.13 N ATOM 838 CA GLU A 54 16.361 23.518 -19.323 1.00 12.20 C ATOM 839 C GLU A 54 17.652 24.283 -19.047 1.00 12.50 C ATOM 840 O GLU A 54 18.665 23.695 -18.671 1.00 1.41 O ATOM 841 CB GLU A 54 16.209 23.278 -20.827 1.00 13.45 C ATOM 842 CG GLU A 54 15.955 24.547 -21.623 1.00 11.43 C ATOM 843 CD GLU A 54 15.741 24.277 -23.099 1.00 60.33 C ATOM 844 OE1 GLU A 54 16.697 23.826 -23.765 1.00 14.30 O ATOM 845 OE2 GLU A 54 14.617 24.515 -23.589 1.00 1.42 O ATOM 0 H GLU A 54 14.536 24.533 -19.518 1.00 21.13 H new ATOM 0 HA GLU A 54 16.413 22.557 -18.812 1.00 12.20 H new ATOM 0 HB2 GLU A 54 17.113 22.798 -21.203 1.00 13.45 H new ATOM 0 HB3 GLU A 54 15.386 22.583 -20.994 1.00 13.45 H new ATOM 0 HG2 GLU A 54 15.079 25.055 -21.220 1.00 11.43 H new ATOM 0 HG3 GLU A 54 16.801 25.224 -21.500 1.00 11.43 H new ATOM 852 N GLU A 55 17.606 25.598 -19.237 1.00 52.45 N ATOM 853 CA GLU A 55 18.772 26.444 -19.010 1.00 70.25 C ATOM 854 C GLU A 55 19.289 26.286 -17.583 1.00 72.04 C ATOM 855 O GLU A 55 20.474 26.480 -17.316 1.00 64.44 O ATOM 856 CB GLU A 55 18.427 27.910 -19.281 1.00 21.15 C ATOM 857 CG GLU A 55 19.594 28.859 -19.067 1.00 63.02 C ATOM 858 CD GLU A 55 19.506 30.098 -19.937 1.00 75.33 C ATOM 859 OE1 GLU A 55 18.588 30.914 -19.714 1.00 15.44 O ATOM 860 OE2 GLU A 55 20.353 30.250 -20.842 1.00 10.35 O ATOM 0 H GLU A 55 16.774 26.100 -19.547 1.00 52.45 H new ATOM 0 HA GLU A 55 19.556 26.130 -19.699 1.00 70.25 H new ATOM 0 HB2 GLU A 55 18.074 28.008 -20.308 1.00 21.15 H new ATOM 0 HB3 GLU A 55 17.604 28.207 -18.631 1.00 21.15 H new ATOM 0 HG2 GLU A 55 19.627 29.157 -18.019 1.00 63.02 H new ATOM 0 HG3 GLU A 55 20.526 28.336 -19.279 1.00 63.02 H new ATOM 867 N ALA A 56 18.390 25.934 -16.670 1.00 73.33 N ATOM 868 CA ALA A 56 18.754 25.748 -15.271 1.00 40.42 C ATOM 869 C ALA A 56 19.417 24.393 -15.051 1.00 73.34 C ATOM 870 O ALA A 56 20.121 24.188 -14.062 1.00 75.42 O ATOM 871 CB ALA A 56 17.526 25.888 -14.383 1.00 45.12 C ATOM 0 H ALA A 56 17.404 25.772 -16.874 1.00 73.33 H new ATOM 0 HA ALA A 56 19.473 26.522 -15.003 1.00 40.42 H new ATOM 0 HB1 ALA A 56 17.813 25.747 -13.341 1.00 45.12 H new ATOM 0 HB2 ALA A 56 17.097 26.882 -14.510 1.00 45.12 H new ATOM 0 HB3 ALA A 56 16.788 25.136 -14.662 1.00 45.12 H new ATOM 877 N PHE A 57 19.187 23.470 -15.979 1.00 72.52 N ATOM 878 CA PHE A 57 19.760 22.132 -15.886 1.00 5.14 C ATOM 879 C PHE A 57 20.852 21.934 -16.934 1.00 34.23 C ATOM 880 O PHE A 57 21.352 20.825 -17.122 1.00 24.12 O ATOM 881 CB PHE A 57 18.670 21.073 -16.061 1.00 42.03 C ATOM 882 CG PHE A 57 17.414 21.373 -15.295 1.00 12.30 C ATOM 883 CD1 PHE A 57 17.477 21.863 -14.000 1.00 73.13 C ATOM 884 CD2 PHE A 57 16.170 21.166 -15.869 1.00 40.33 C ATOM 885 CE1 PHE A 57 16.322 22.139 -13.293 1.00 0.23 C ATOM 886 CE2 PHE A 57 15.012 21.441 -15.167 1.00 11.23 C ATOM 887 CZ PHE A 57 15.088 21.929 -13.877 1.00 42.30 C ATOM 0 H PHE A 57 18.608 23.624 -16.804 1.00 72.52 H new ATOM 0 HA PHE A 57 20.206 22.023 -14.897 1.00 5.14 H new ATOM 0 HB2 PHE A 57 18.428 20.984 -17.120 1.00 42.03 H new ATOM 0 HB3 PHE A 57 19.059 20.106 -15.741 1.00 42.03 H new ATOM 0 HD1 PHE A 57 18.439 22.031 -13.539 1.00 73.13 H new ATOM 0 HD2 PHE A 57 16.105 20.785 -16.877 1.00 40.33 H new ATOM 0 HE1 PHE A 57 16.384 22.519 -12.284 1.00 0.23 H new ATOM 0 HE2 PHE A 57 14.049 21.275 -15.626 1.00 11.23 H new ATOM 0 HZ PHE A 57 14.185 22.146 -13.326 1.00 42.30 H new ATOM 897 N ASP A 58 21.214 23.016 -17.613 1.00 61.05 N ATOM 898 CA ASP A 58 22.246 22.962 -18.643 1.00 11.43 C ATOM 899 C ASP A 58 21.963 21.841 -19.638 1.00 3.14 C ATOM 900 O ASP A 58 22.651 20.820 -19.649 1.00 40.01 O ATOM 901 CB ASP A 58 23.622 22.761 -18.006 1.00 13.14 C ATOM 902 CG ASP A 58 23.841 23.661 -16.805 1.00 60.50 C ATOM 903 OD1 ASP A 58 23.593 24.879 -16.924 1.00 22.54 O ATOM 904 OD2 ASP A 58 24.261 23.147 -15.747 1.00 63.51 O ATOM 0 H ASP A 58 20.809 23.941 -17.470 1.00 61.05 H new ATOM 0 HA ASP A 58 22.238 23.910 -19.181 1.00 11.43 H new ATOM 0 HB2 ASP A 58 23.729 21.720 -17.701 1.00 13.14 H new ATOM 0 HB3 ASP A 58 24.395 22.957 -18.749 1.00 13.14 H new ATOM 909 N ASP A 59 20.947 22.038 -20.470 1.00 40.21 N ATOM 910 CA ASP A 59 20.573 21.044 -21.469 1.00 61.31 C ATOM 911 C ASP A 59 19.622 21.641 -22.501 1.00 43.55 C ATOM 912 O ASP A 59 19.100 22.741 -22.317 1.00 73.12 O ATOM 913 CB ASP A 59 19.921 19.835 -20.797 1.00 20.52 C ATOM 914 CG ASP A 59 20.256 18.532 -21.497 1.00 4.22 C ATOM 915 OD1 ASP A 59 20.811 18.585 -22.614 1.00 52.52 O ATOM 916 OD2 ASP A 59 19.964 17.460 -20.927 1.00 74.35 O ATOM 0 H ASP A 59 20.367 22.877 -20.473 1.00 40.21 H new ATOM 0 HA ASP A 59 21.480 20.721 -21.981 1.00 61.31 H new ATOM 0 HB2 ASP A 59 20.248 19.780 -19.758 1.00 20.52 H new ATOM 0 HB3 ASP A 59 18.839 19.970 -20.784 1.00 20.52 H new ATOM 921 N LYS A 60 19.403 20.911 -23.589 1.00 71.42 N ATOM 922 CA LYS A 60 18.515 21.367 -24.652 1.00 42.00 C ATOM 923 C LYS A 60 17.199 20.596 -24.631 1.00 24.23 C ATOM 924 O LYS A 60 17.191 19.367 -24.554 1.00 31.24 O ATOM 925 CB LYS A 60 19.192 21.204 -26.015 1.00 11.31 C ATOM 926 CG LYS A 60 20.021 22.407 -26.430 1.00 2.32 C ATOM 927 CD LYS A 60 21.440 22.318 -25.893 1.00 51.51 C ATOM 928 CE LYS A 60 22.415 23.098 -26.762 1.00 74.05 C ATOM 929 NZ LYS A 60 22.147 24.562 -26.721 1.00 15.24 N ATOM 0 H LYS A 60 19.829 20.000 -23.758 1.00 71.42 H new ATOM 0 HA LYS A 60 18.300 22.422 -24.483 1.00 42.00 H new ATOM 0 HB2 LYS A 60 19.833 20.323 -25.990 1.00 11.31 H new ATOM 0 HB3 LYS A 60 18.428 21.021 -26.771 1.00 11.31 H new ATOM 0 HG2 LYS A 60 20.046 22.475 -27.518 1.00 2.32 H new ATOM 0 HG3 LYS A 60 19.549 23.319 -26.064 1.00 2.32 H new ATOM 0 HD2 LYS A 60 21.469 22.705 -24.874 1.00 51.51 H new ATOM 0 HD3 LYS A 60 21.748 21.273 -25.847 1.00 51.51 H new ATOM 0 HE2 LYS A 60 23.434 22.906 -26.426 1.00 74.05 H new ATOM 0 HE3 LYS A 60 22.347 22.745 -27.791 1.00 74.05 H new ATOM 0 HZ1 LYS A 60 22.843 25.059 -27.312 1.00 15.24 H new ATOM 0 HZ2 LYS A 60 21.190 24.750 -27.081 1.00 15.24 H new ATOM 0 HZ3 LYS A 60 22.221 24.901 -25.741 1.00 15.24 H new ATOM 943 N ILE A 61 16.091 21.324 -24.701 1.00 15.42 N ATOM 944 CA ILE A 61 14.770 20.708 -24.692 1.00 71.41 C ATOM 945 C ILE A 61 14.509 19.949 -25.989 1.00 52.31 C ATOM 946 O ILE A 61 14.249 18.746 -25.992 1.00 64.22 O ATOM 947 CB ILE A 61 13.660 21.756 -24.491 1.00 40.45 C ATOM 948 CG1 ILE A 61 13.399 21.976 -23.000 1.00 4.12 C ATOM 949 CG2 ILE A 61 12.386 21.321 -25.199 1.00 35.21 C ATOM 950 CD1 ILE A 61 12.452 20.963 -22.396 1.00 51.04 C ATOM 0 H ILE A 61 16.081 22.342 -24.765 1.00 15.42 H new ATOM 0 HA ILE A 61 14.754 20.010 -23.855 1.00 71.41 H new ATOM 0 HB ILE A 61 13.990 22.700 -24.925 1.00 40.45 H new ATOM 0 HG12 ILE A 61 14.347 21.939 -22.464 1.00 4.12 H new ATOM 0 HG13 ILE A 61 12.990 22.976 -22.855 1.00 4.12 H new ATOM 0 HG21 ILE A 61 11.611 22.072 -25.047 1.00 35.21 H new ATOM 0 HG22 ILE A 61 12.582 21.212 -26.266 1.00 35.21 H new ATOM 0 HG23 ILE A 61 12.051 20.367 -24.792 1.00 35.21 H new ATOM 0 HD11 ILE A 61 12.314 21.181 -21.337 1.00 51.04 H new ATOM 0 HD12 ILE A 61 11.490 21.015 -22.906 1.00 51.04 H new ATOM 0 HD13 ILE A 61 12.869 19.962 -22.509 1.00 51.04 H new ATOM 962 N PRO A 62 14.580 20.668 -27.119 1.00 41.13 N ATOM 963 CA PRO A 62 14.357 20.083 -28.445 1.00 11.12 C ATOM 964 C PRO A 62 15.481 19.139 -28.858 1.00 74.04 C ATOM 965 O PRO A 62 15.465 18.585 -29.957 1.00 35.10 O ATOM 966 CB PRO A 62 14.316 21.303 -29.369 1.00 2.04 C ATOM 967 CG PRO A 62 15.112 22.343 -28.658 1.00 13.01 C ATOM 968 CD PRO A 62 14.885 22.107 -27.190 1.00 53.03 C ATOM 0 HA PRO A 62 13.451 19.477 -28.476 1.00 11.12 H new ATOM 0 HB2 PRO A 62 14.744 21.075 -30.345 1.00 2.04 H new ATOM 0 HB3 PRO A 62 13.292 21.636 -29.540 1.00 2.04 H new ATOM 0 HG2 PRO A 62 16.170 22.263 -28.907 1.00 13.01 H new ATOM 0 HG3 PRO A 62 14.792 23.344 -28.946 1.00 13.01 H new ATOM 0 HD2 PRO A 62 15.767 22.360 -26.601 1.00 53.03 H new ATOM 0 HD3 PRO A 62 14.062 22.711 -26.808 1.00 53.03 H new ATOM 976 N GLU A 63 16.454 18.961 -27.971 1.00 63.51 N ATOM 977 CA GLU A 63 17.586 18.083 -28.246 1.00 30.11 C ATOM 978 C GLU A 63 17.530 16.833 -27.372 1.00 50.12 C ATOM 979 O GLU A 63 17.352 15.722 -27.870 1.00 51.43 O ATOM 980 CB GLU A 63 18.904 18.824 -28.011 1.00 13.32 C ATOM 981 CG GLU A 63 20.074 18.246 -28.788 1.00 25.15 C ATOM 982 CD GLU A 63 21.399 18.435 -28.074 1.00 12.44 C ATOM 983 OE1 GLU A 63 21.747 19.595 -27.769 1.00 11.44 O ATOM 984 OE2 GLU A 63 22.087 17.425 -27.820 1.00 71.33 O ATOM 0 H GLU A 63 16.482 19.412 -27.057 1.00 63.51 H new ATOM 0 HA GLU A 63 17.530 17.778 -29.291 1.00 30.11 H new ATOM 0 HB2 GLU A 63 18.777 19.871 -28.287 1.00 13.32 H new ATOM 0 HB3 GLU A 63 19.139 18.802 -26.947 1.00 13.32 H new ATOM 0 HG2 GLU A 63 19.904 17.182 -28.955 1.00 25.15 H new ATOM 0 HG3 GLU A 63 20.123 18.719 -29.769 1.00 25.15 H new ATOM 991 N ASN A 64 17.684 17.024 -26.066 1.00 1.00 N ATOM 992 CA ASN A 64 17.652 15.913 -25.122 1.00 64.31 C ATOM 993 C ASN A 64 16.219 15.454 -24.870 1.00 64.20 C ATOM 994 O ASN A 64 15.859 14.318 -25.176 1.00 74.12 O ATOM 995 CB ASN A 64 18.309 16.319 -23.801 1.00 44.14 C ATOM 996 CG ASN A 64 17.882 15.434 -22.647 1.00 12.14 C ATOM 997 OD1 ASN A 64 17.527 15.923 -21.574 1.00 35.21 O ATOM 998 ND2 ASN A 64 17.915 14.124 -22.862 1.00 14.14 N ATOM 0 H ASN A 64 17.832 17.938 -25.637 1.00 1.00 H new ATOM 0 HA ASN A 64 18.209 15.083 -25.557 1.00 64.31 H new ATOM 0 HB2 ASN A 64 19.393 16.274 -23.908 1.00 44.14 H new ATOM 0 HB3 ASN A 64 18.054 17.354 -23.575 1.00 44.14 H new ATOM 0 HD21 ASN A 64 17.639 13.479 -22.122 1.00 14.14 H new ATOM 0 HD22 ASN A 64 18.216 13.763 -23.767 1.00 14.14 H new ATOM 1005 N GLU A 65 15.408 16.346 -24.311 1.00 33.23 N ATOM 1006 CA GLU A 65 14.014 16.032 -24.018 1.00 23.54 C ATOM 1007 C GLU A 65 13.278 15.595 -25.281 1.00 32.13 C ATOM 1008 O GLU A 65 12.395 14.739 -25.233 1.00 13.24 O ATOM 1009 CB GLU A 65 13.314 17.243 -23.399 1.00 3.40 C ATOM 1010 CG GLU A 65 14.011 17.783 -22.161 1.00 63.32 C ATOM 1011 CD GLU A 65 13.041 18.128 -21.049 1.00 35.33 C ATOM 1012 OE1 GLU A 65 12.032 17.406 -20.897 1.00 3.30 O ATOM 1013 OE2 GLU A 65 13.288 19.118 -20.330 1.00 43.53 O ATOM 0 H GLU A 65 15.691 17.291 -24.052 1.00 33.23 H new ATOM 0 HA GLU A 65 13.996 15.208 -23.305 1.00 23.54 H new ATOM 0 HB2 GLU A 65 13.251 18.036 -24.145 1.00 3.40 H new ATOM 0 HB3 GLU A 65 12.292 16.967 -23.139 1.00 3.40 H new ATOM 0 HG2 GLU A 65 14.725 17.043 -21.799 1.00 63.32 H new ATOM 0 HG3 GLU A 65 14.582 18.672 -22.429 1.00 63.32 H new ATOM 1020 N ALA A 66 13.648 16.190 -26.410 1.00 13.21 N ATOM 1021 CA ALA A 66 13.024 15.863 -27.686 1.00 61.50 C ATOM 1022 C ALA A 66 13.073 14.362 -27.952 1.00 22.33 C ATOM 1023 O ALA A 66 12.241 13.823 -28.680 1.00 53.52 O ATOM 1024 CB ALA A 66 13.703 16.623 -28.816 1.00 32.13 C ATOM 0 H ALA A 66 14.377 16.901 -26.467 1.00 13.21 H new ATOM 0 HA ALA A 66 11.977 16.164 -27.638 1.00 61.50 H new ATOM 0 HB1 ALA A 66 13.227 16.369 -29.763 1.00 32.13 H new ATOM 0 HB2 ALA A 66 13.612 17.695 -28.640 1.00 32.13 H new ATOM 0 HB3 ALA A 66 14.758 16.350 -28.856 1.00 32.13 H new ATOM 1030 N ASN A 67 14.055 13.692 -27.356 1.00 73.24 N ATOM 1031 CA ASN A 67 14.213 12.252 -27.530 1.00 53.54 C ATOM 1032 C ASN A 67 12.981 11.505 -27.028 1.00 1.32 C ATOM 1033 O ASN A 67 12.696 10.393 -27.469 1.00 74.20 O ATOM 1034 CB ASN A 67 15.458 11.762 -26.789 1.00 62.14 C ATOM 1035 CG ASN A 67 15.125 11.139 -25.447 1.00 52.24 C ATOM 1036 OD1 ASN A 67 15.281 9.933 -25.254 1.00 44.51 O ATOM 1037 ND2 ASN A 67 14.662 11.961 -24.513 1.00 0.04 N ATOM 0 H ASN A 67 14.752 14.123 -26.749 1.00 73.24 H new ATOM 0 HA ASN A 67 14.329 12.050 -28.595 1.00 53.54 H new ATOM 0 HB2 ASN A 67 15.980 11.031 -27.406 1.00 62.14 H new ATOM 0 HB3 ASN A 67 16.141 12.598 -26.639 1.00 62.14 H new ATOM 0 HD21 ASN A 67 14.419 11.600 -23.590 1.00 0.04 H new ATOM 0 HD22 ASN A 67 14.549 12.954 -24.718 1.00 0.04 H new ATOM 1044 N GLU A 68 12.256 12.126 -26.103 1.00 15.12 N ATOM 1045 CA GLU A 68 11.055 11.519 -25.541 1.00 12.25 C ATOM 1046 C GLU A 68 10.033 12.587 -25.160 1.00 74.43 C ATOM 1047 O GLU A 68 9.367 12.486 -24.129 1.00 63.43 O ATOM 1048 CB GLU A 68 11.409 10.677 -24.313 1.00 61.44 C ATOM 1049 CG GLU A 68 11.801 9.247 -24.649 1.00 12.41 C ATOM 1050 CD GLU A 68 10.603 8.373 -24.965 1.00 31.12 C ATOM 1051 OE1 GLU A 68 9.801 8.111 -24.044 1.00 1.03 O ATOM 1052 OE2 GLU A 68 10.467 7.951 -26.132 1.00 22.51 O ATOM 0 H GLU A 68 12.479 13.048 -25.727 1.00 15.12 H new ATOM 0 HA GLU A 68 10.615 10.874 -26.301 1.00 12.25 H new ATOM 0 HB2 GLU A 68 12.231 11.155 -23.780 1.00 61.44 H new ATOM 0 HB3 GLU A 68 10.556 10.661 -23.635 1.00 61.44 H new ATOM 0 HG2 GLU A 68 12.478 9.251 -25.503 1.00 12.41 H new ATOM 0 HG3 GLU A 68 12.348 8.817 -23.810 1.00 12.41 H new ATOM 1059 N PHE A 69 9.914 13.610 -26.000 1.00 70.52 N ATOM 1060 CA PHE A 69 8.975 14.697 -25.752 1.00 54.15 C ATOM 1061 C PHE A 69 7.756 14.582 -26.664 1.00 23.31 C ATOM 1062 O PHE A 69 7.856 14.100 -27.792 1.00 1.12 O ATOM 1063 CB PHE A 69 9.659 16.049 -25.966 1.00 30.12 C ATOM 1064 CG PHE A 69 9.548 16.970 -24.785 1.00 21.15 C ATOM 1065 CD1 PHE A 69 9.703 16.486 -23.495 1.00 52.43 C ATOM 1066 CD2 PHE A 69 9.289 18.319 -24.963 1.00 53.23 C ATOM 1067 CE1 PHE A 69 9.602 17.331 -22.406 1.00 52.31 C ATOM 1068 CE2 PHE A 69 9.187 19.169 -23.878 1.00 61.10 C ATOM 1069 CZ PHE A 69 9.343 18.674 -22.598 1.00 14.22 C ATOM 0 H PHE A 69 10.456 13.709 -26.858 1.00 70.52 H new ATOM 0 HA PHE A 69 8.641 14.626 -24.717 1.00 54.15 H new ATOM 0 HB2 PHE A 69 10.713 15.883 -26.189 1.00 30.12 H new ATOM 0 HB3 PHE A 69 9.221 16.535 -26.838 1.00 30.12 H new ATOM 0 HD1 PHE A 69 9.905 15.437 -23.339 1.00 52.43 H new ATOM 0 HD2 PHE A 69 9.165 18.711 -25.962 1.00 53.23 H new ATOM 0 HE1 PHE A 69 9.725 16.942 -21.406 1.00 52.31 H new ATOM 0 HE2 PHE A 69 8.986 20.219 -24.031 1.00 61.10 H new ATOM 0 HZ PHE A 69 9.263 19.336 -21.749 1.00 14.22 H new ATOM 1079 N GLU A 70 6.607 15.027 -26.165 1.00 62.21 N ATOM 1080 CA GLU A 70 5.369 14.972 -26.934 1.00 3.02 C ATOM 1081 C GLU A 70 4.315 15.898 -26.334 1.00 41.23 C ATOM 1082 O GLU A 70 3.792 16.783 -27.012 1.00 15.54 O ATOM 1083 CB GLU A 70 4.836 13.539 -26.983 1.00 23.43 C ATOM 1084 CG GLU A 70 3.658 13.359 -27.925 1.00 12.21 C ATOM 1085 CD GLU A 70 2.900 12.070 -27.673 1.00 2.13 C ATOM 1086 OE1 GLU A 70 2.920 11.585 -26.522 1.00 54.23 O ATOM 1087 OE2 GLU A 70 2.287 11.547 -28.627 1.00 24.42 O ATOM 0 H GLU A 70 6.508 15.429 -25.233 1.00 62.21 H new ATOM 0 HA GLU A 70 5.586 15.306 -27.949 1.00 3.02 H new ATOM 0 HB2 GLU A 70 5.641 12.871 -27.290 1.00 23.43 H new ATOM 0 HB3 GLU A 70 4.537 13.237 -25.979 1.00 23.43 H new ATOM 0 HG2 GLU A 70 2.978 14.203 -27.815 1.00 12.21 H new ATOM 0 HG3 GLU A 70 4.016 13.370 -28.954 1.00 12.21 H new ATOM 1094 N THR A 71 4.007 15.687 -25.058 1.00 44.42 N ATOM 1095 CA THR A 71 3.015 16.501 -24.367 1.00 22.32 C ATOM 1096 C THR A 71 3.393 16.703 -22.904 1.00 0.50 C ATOM 1097 O THR A 71 4.445 16.247 -22.455 1.00 53.40 O ATOM 1098 CB THR A 71 1.615 15.862 -24.440 1.00 24.11 C ATOM 1099 OG1 THR A 71 1.673 14.503 -23.991 1.00 12.53 O ATOM 1100 CG2 THR A 71 1.073 15.909 -25.860 1.00 55.31 C ATOM 0 H THR A 71 4.430 14.959 -24.482 1.00 44.42 H new ATOM 0 HA THR A 71 2.992 17.467 -24.871 1.00 22.32 H new ATOM 0 HB THR A 71 0.946 16.430 -23.793 1.00 24.11 H new ATOM 0 HG1 THR A 71 1.216 14.424 -23.128 1.00 12.53 H new ATOM 0 HG21 THR A 71 0.084 15.452 -25.887 1.00 55.31 H new ATOM 0 HG22 THR A 71 1.003 16.946 -26.189 1.00 55.31 H new ATOM 0 HG23 THR A 71 1.743 15.363 -26.524 1.00 55.31 H new ATOM 1108 N VAL A 72 2.528 17.390 -22.164 1.00 3.02 N ATOM 1109 CA VAL A 72 2.771 17.652 -20.750 1.00 72.41 C ATOM 1110 C VAL A 72 3.135 16.370 -20.009 1.00 15.13 C ATOM 1111 O VAL A 72 4.075 16.345 -19.216 1.00 30.31 O ATOM 1112 CB VAL A 72 1.540 18.289 -20.078 1.00 61.20 C ATOM 1113 CG1 VAL A 72 1.821 18.576 -18.611 1.00 64.10 C ATOM 1114 CG2 VAL A 72 1.132 19.559 -20.810 1.00 32.45 C ATOM 0 H VAL A 72 1.653 17.775 -22.520 1.00 3.02 H new ATOM 0 HA VAL A 72 3.607 18.350 -20.696 1.00 72.41 H new ATOM 0 HB VAL A 72 0.711 17.583 -20.133 1.00 61.20 H new ATOM 0 HG11 VAL A 72 0.940 19.026 -18.153 1.00 64.10 H new ATOM 0 HG12 VAL A 72 2.062 17.645 -18.098 1.00 64.10 H new ATOM 0 HG13 VAL A 72 2.663 19.263 -18.530 1.00 64.10 H new ATOM 0 HG21 VAL A 72 0.261 19.996 -20.322 1.00 32.45 H new ATOM 0 HG22 VAL A 72 1.956 20.272 -20.788 1.00 32.45 H new ATOM 0 HG23 VAL A 72 0.886 19.320 -21.845 1.00 32.45 H new ATOM 1124 N GLY A 73 2.382 15.306 -20.273 1.00 22.03 N ATOM 1125 CA GLY A 73 2.641 14.035 -19.623 1.00 22.44 C ATOM 1126 C GLY A 73 4.100 13.631 -19.699 1.00 3.10 C ATOM 1127 O GLY A 73 4.628 13.009 -18.777 1.00 5.41 O ATOM 0 H GLY A 73 1.598 15.302 -20.925 1.00 22.03 H new ATOM 0 HA2 GLY A 73 2.338 14.097 -18.578 1.00 22.44 H new ATOM 0 HA3 GLY A 73 2.029 13.262 -20.087 1.00 22.44 H new ATOM 1131 N ASP A 74 4.753 13.983 -20.801 1.00 50.40 N ATOM 1132 CA ASP A 74 6.160 13.653 -20.995 1.00 2.52 C ATOM 1133 C ASP A 74 7.037 14.408 -20.000 1.00 61.32 C ATOM 1134 O ASP A 74 7.918 13.826 -19.368 1.00 25.43 O ATOM 1135 CB ASP A 74 6.591 13.982 -22.425 1.00 51.31 C ATOM 1136 CG ASP A 74 5.888 13.119 -23.454 1.00 52.33 C ATOM 1137 OD1 ASP A 74 4.649 12.983 -23.369 1.00 1.34 O ATOM 1138 OD2 ASP A 74 6.576 12.581 -24.346 1.00 70.31 O ATOM 0 H ASP A 74 4.330 14.497 -21.574 1.00 50.40 H new ATOM 0 HA ASP A 74 6.284 12.584 -20.824 1.00 2.52 H new ATOM 0 HB2 ASP A 74 6.383 15.032 -22.632 1.00 51.31 H new ATOM 0 HB3 ASP A 74 7.669 13.847 -22.517 1.00 51.31 H new ATOM 1143 N VAL A 75 6.790 15.707 -19.868 1.00 1.13 N ATOM 1144 CA VAL A 75 7.557 16.541 -18.950 1.00 51.43 C ATOM 1145 C VAL A 75 7.381 16.078 -17.509 1.00 12.35 C ATOM 1146 O VAL A 75 8.352 15.953 -16.762 1.00 52.12 O ATOM 1147 CB VAL A 75 7.142 18.021 -19.057 1.00 30.10 C ATOM 1148 CG1 VAL A 75 8.155 18.912 -18.355 1.00 24.21 C ATOM 1149 CG2 VAL A 75 6.984 18.426 -20.515 1.00 34.52 C ATOM 0 H VAL A 75 6.065 16.205 -20.385 1.00 1.13 H new ATOM 0 HA VAL A 75 8.605 16.443 -19.234 1.00 51.43 H new ATOM 0 HB VAL A 75 6.179 18.147 -18.562 1.00 30.10 H new ATOM 0 HG11 VAL A 75 7.845 19.953 -18.441 1.00 24.21 H new ATOM 0 HG12 VAL A 75 8.214 18.637 -17.302 1.00 24.21 H new ATOM 0 HG13 VAL A 75 9.134 18.785 -18.818 1.00 24.21 H new ATOM 0 HG21 VAL A 75 6.691 19.474 -20.572 1.00 34.52 H new ATOM 0 HG22 VAL A 75 7.931 18.285 -21.036 1.00 34.52 H new ATOM 0 HG23 VAL A 75 6.217 17.809 -20.983 1.00 34.52 H new ATOM 1159 N VAL A 76 6.134 15.824 -17.122 1.00 44.43 N ATOM 1160 CA VAL A 76 5.830 15.373 -15.770 1.00 1.03 C ATOM 1161 C VAL A 76 6.710 14.193 -15.373 1.00 74.43 C ATOM 1162 O VAL A 76 7.344 14.205 -14.319 1.00 72.43 O ATOM 1163 CB VAL A 76 4.351 14.966 -15.633 1.00 71.45 C ATOM 1164 CG1 VAL A 76 4.024 14.614 -14.190 1.00 4.51 C ATOM 1165 CG2 VAL A 76 3.444 16.077 -16.139 1.00 12.33 C ATOM 0 H VAL A 76 5.319 15.923 -17.727 1.00 44.43 H new ATOM 0 HA VAL A 76 6.031 16.212 -15.104 1.00 1.03 H new ATOM 0 HB VAL A 76 4.178 14.080 -16.245 1.00 71.45 H new ATOM 0 HG11 VAL A 76 2.975 14.329 -14.114 1.00 4.51 H new ATOM 0 HG12 VAL A 76 4.650 13.782 -13.868 1.00 4.51 H new ATOM 0 HG13 VAL A 76 4.213 15.478 -13.553 1.00 4.51 H new ATOM 0 HG21 VAL A 76 2.403 15.772 -16.035 1.00 12.33 H new ATOM 0 HG22 VAL A 76 3.617 16.982 -15.557 1.00 12.33 H new ATOM 0 HG23 VAL A 76 3.661 16.274 -17.189 1.00 12.33 H new ATOM 1175 N ASN A 77 6.743 13.174 -16.226 1.00 71.23 N ATOM 1176 CA ASN A 77 7.545 11.984 -15.965 1.00 42.31 C ATOM 1177 C ASN A 77 9.029 12.274 -16.166 1.00 45.25 C ATOM 1178 O ASN A 77 9.888 11.567 -15.639 1.00 3.43 O ATOM 1179 CB ASN A 77 7.109 10.839 -16.881 1.00 22.54 C ATOM 1180 CG ASN A 77 7.983 10.720 -18.115 1.00 14.04 C ATOM 1181 OD1 ASN A 77 9.120 10.254 -18.042 1.00 35.54 O ATOM 1182 ND2 ASN A 77 7.453 11.143 -19.257 1.00 5.54 N ATOM 0 H ASN A 77 6.224 13.149 -17.104 1.00 71.23 H new ATOM 0 HA ASN A 77 7.388 11.690 -14.927 1.00 42.31 H new ATOM 0 HB2 ASN A 77 7.140 9.902 -16.326 1.00 22.54 H new ATOM 0 HB3 ASN A 77 6.074 10.995 -17.186 1.00 22.54 H new ATOM 0 HD21 ASN A 77 7.993 11.089 -20.121 1.00 5.54 H new ATOM 0 HD22 ASN A 77 6.506 11.522 -19.270 1.00 5.54 H new ATOM 1189 N PHE A 78 9.324 13.319 -16.933 1.00 51.01 N ATOM 1190 CA PHE A 78 10.704 13.703 -17.205 1.00 22.01 C ATOM 1191 C PHE A 78 11.356 14.305 -15.963 1.00 72.04 C ATOM 1192 O PHE A 78 12.333 13.769 -15.441 1.00 22.44 O ATOM 1193 CB PHE A 78 10.759 14.705 -18.360 1.00 62.32 C ATOM 1194 CG PHE A 78 11.565 14.224 -19.533 1.00 24.13 C ATOM 1195 CD1 PHE A 78 11.118 13.169 -20.312 1.00 3.20 C ATOM 1196 CD2 PHE A 78 12.771 14.826 -19.855 1.00 52.42 C ATOM 1197 CE1 PHE A 78 11.858 12.724 -21.392 1.00 15.51 C ATOM 1198 CE2 PHE A 78 13.514 14.386 -20.934 1.00 41.30 C ATOM 1199 CZ PHE A 78 13.058 13.333 -21.703 1.00 14.34 C ATOM 0 H PHE A 78 8.625 13.915 -17.377 1.00 51.01 H new ATOM 0 HA PHE A 78 11.256 12.806 -17.485 1.00 22.01 H new ATOM 0 HB2 PHE A 78 9.743 14.921 -18.691 1.00 62.32 H new ATOM 0 HB3 PHE A 78 11.183 15.642 -17.998 1.00 62.32 H new ATOM 0 HD1 PHE A 78 10.181 12.689 -20.073 1.00 3.20 H new ATOM 0 HD2 PHE A 78 13.134 15.648 -19.256 1.00 52.42 H new ATOM 0 HE1 PHE A 78 11.498 11.901 -21.992 1.00 15.51 H new ATOM 0 HE2 PHE A 78 14.451 14.865 -21.176 1.00 41.30 H new ATOM 0 HZ PHE A 78 13.638 12.987 -22.545 1.00 14.34 H new ATOM 1209 N ILE A 79 10.808 15.422 -15.498 1.00 12.32 N ATOM 1210 CA ILE A 79 11.335 16.097 -14.318 1.00 52.12 C ATOM 1211 C ILE A 79 11.284 15.187 -13.096 1.00 13.14 C ATOM 1212 O ILE A 79 12.011 15.393 -12.124 1.00 32.24 O ATOM 1213 CB ILE A 79 10.556 17.390 -14.014 1.00 52.54 C ATOM 1214 CG1 ILE A 79 10.405 18.231 -15.284 1.00 71.10 C ATOM 1215 CG2 ILE A 79 11.257 18.188 -12.925 1.00 63.21 C ATOM 1216 CD1 ILE A 79 9.833 19.608 -15.032 1.00 50.53 C ATOM 0 H ILE A 79 10.000 15.879 -15.920 1.00 12.32 H new ATOM 0 HA ILE A 79 12.372 16.351 -14.536 1.00 52.12 H new ATOM 0 HB ILE A 79 9.562 17.122 -13.657 1.00 52.54 H new ATOM 0 HG12 ILE A 79 11.380 18.333 -15.761 1.00 71.10 H new ATOM 0 HG13 ILE A 79 9.761 17.702 -15.986 1.00 71.10 H new ATOM 0 HG21 ILE A 79 10.694 19.099 -12.722 1.00 63.21 H new ATOM 0 HG22 ILE A 79 11.318 17.589 -12.017 1.00 63.21 H new ATOM 0 HG23 ILE A 79 12.262 18.449 -13.255 1.00 63.21 H new ATOM 0 HD11 ILE A 79 9.754 20.148 -15.976 1.00 50.53 H new ATOM 0 HD12 ILE A 79 8.844 19.515 -14.584 1.00 50.53 H new ATOM 0 HD13 ILE A 79 10.488 20.156 -14.355 1.00 50.53 H new ATOM 1228 N LYS A 80 10.421 14.178 -13.151 1.00 54.44 N ATOM 1229 CA LYS A 80 10.275 13.233 -12.051 1.00 5.23 C ATOM 1230 C LYS A 80 11.557 12.430 -11.851 1.00 34.12 C ATOM 1231 O LYS A 80 12.101 12.373 -10.748 1.00 12.52 O ATOM 1232 CB LYS A 80 9.103 12.286 -12.316 1.00 1.01 C ATOM 1233 CG LYS A 80 7.821 12.693 -11.611 1.00 31.15 C ATOM 1234 CD LYS A 80 6.610 11.995 -12.208 1.00 24.25 C ATOM 1235 CE LYS A 80 6.746 10.482 -12.132 1.00 31.34 C ATOM 1236 NZ LYS A 80 6.956 10.013 -10.734 1.00 0.12 N ATOM 0 H LYS A 80 9.811 13.994 -13.948 1.00 54.44 H new ATOM 0 HA LYS A 80 10.076 13.800 -11.142 1.00 5.23 H new ATOM 0 HB2 LYS A 80 8.919 12.241 -13.389 1.00 1.01 H new ATOM 0 HB3 LYS A 80 9.380 11.281 -11.997 1.00 1.01 H new ATOM 0 HG2 LYS A 80 7.895 12.451 -10.551 1.00 31.15 H new ATOM 0 HG3 LYS A 80 7.692 13.773 -11.683 1.00 31.15 H new ATOM 0 HD2 LYS A 80 5.710 12.308 -11.678 1.00 24.25 H new ATOM 0 HD3 LYS A 80 6.489 12.299 -13.248 1.00 24.25 H new ATOM 0 HE2 LYS A 80 5.849 10.016 -12.540 1.00 31.34 H new ATOM 0 HE3 LYS A 80 7.583 10.161 -12.752 1.00 31.34 H new ATOM 0 HZ1 LYS A 80 6.875 8.977 -10.700 1.00 0.12 H new ATOM 0 HZ2 LYS A 80 7.903 10.297 -10.411 1.00 0.12 H new ATOM 0 HZ3 LYS A 80 6.237 10.437 -10.114 1.00 0.12 H new ATOM 1250 N LYS A 81 12.035 11.810 -12.925 1.00 13.53 N ATOM 1251 CA LYS A 81 13.254 11.012 -12.869 1.00 14.32 C ATOM 1252 C LYS A 81 14.490 11.903 -12.926 1.00 5.24 C ATOM 1253 O LYS A 81 15.534 11.569 -12.364 1.00 12.12 O ATOM 1254 CB LYS A 81 13.283 10.007 -14.022 1.00 52.04 C ATOM 1255 CG LYS A 81 13.053 10.638 -15.385 1.00 31.12 C ATOM 1256 CD LYS A 81 13.778 9.876 -16.482 1.00 3.45 C ATOM 1257 CE LYS A 81 14.818 10.747 -17.171 1.00 31.14 C ATOM 1258 NZ LYS A 81 15.938 9.938 -17.727 1.00 55.24 N ATOM 0 H LYS A 81 11.596 11.845 -13.845 1.00 13.53 H new ATOM 0 HA LYS A 81 13.261 10.471 -11.923 1.00 14.32 H new ATOM 0 HB2 LYS A 81 14.247 9.498 -14.025 1.00 52.04 H new ATOM 0 HB3 LYS A 81 12.521 9.247 -13.850 1.00 52.04 H new ATOM 0 HG2 LYS A 81 11.985 10.660 -15.601 1.00 31.12 H new ATOM 0 HG3 LYS A 81 13.397 11.672 -15.371 1.00 31.12 H new ATOM 0 HD2 LYS A 81 14.262 8.997 -16.057 1.00 3.45 H new ATOM 0 HD3 LYS A 81 13.056 9.519 -17.217 1.00 3.45 H new ATOM 0 HE2 LYS A 81 14.344 11.312 -17.974 1.00 31.14 H new ATOM 0 HE3 LYS A 81 15.212 11.473 -16.460 1.00 31.14 H new ATOM 0 HZ1 LYS A 81 16.625 10.568 -18.188 1.00 55.24 H new ATOM 0 HZ2 LYS A 81 16.406 9.418 -16.957 1.00 55.24 H new ATOM 0 HZ3 LYS A 81 15.565 9.262 -18.424 1.00 55.24 H new ATOM 1272 N ARG A 82 14.366 13.038 -13.606 1.00 10.12 N ATOM 1273 CA ARG A 82 15.474 13.977 -13.735 1.00 70.20 C ATOM 1274 C ARG A 82 15.834 14.582 -12.382 1.00 3.25 C ATOM 1275 O ARG A 82 16.984 14.952 -12.140 1.00 72.34 O ATOM 1276 CB ARG A 82 15.116 15.088 -14.724 1.00 22.03 C ATOM 1277 CG ARG A 82 15.240 14.671 -16.180 1.00 32.40 C ATOM 1278 CD ARG A 82 15.555 15.859 -17.075 1.00 64.32 C ATOM 1279 NE ARG A 82 14.456 16.819 -17.119 1.00 35.53 N ATOM 1280 CZ ARG A 82 14.588 18.069 -17.546 1.00 3.44 C ATOM 1281 NH1 ARG A 82 15.767 18.509 -17.964 1.00 1.13 N ATOM 1282 NH2 ARG A 82 13.540 18.883 -17.555 1.00 42.12 N ATOM 0 H ARG A 82 13.509 13.330 -14.076 1.00 10.12 H new ATOM 0 HA ARG A 82 16.339 13.430 -14.111 1.00 70.20 H new ATOM 0 HB2 ARG A 82 14.094 15.416 -14.535 1.00 22.03 H new ATOM 0 HB3 ARG A 82 15.764 15.946 -14.544 1.00 22.03 H new ATOM 0 HG2 ARG A 82 16.025 13.921 -16.279 1.00 32.40 H new ATOM 0 HG3 ARG A 82 14.310 14.205 -16.506 1.00 32.40 H new ATOM 0 HD2 ARG A 82 16.456 16.356 -16.714 1.00 64.32 H new ATOM 0 HD3 ARG A 82 15.768 15.506 -18.084 1.00 64.32 H new ATOM 0 HE ARG A 82 13.536 16.512 -16.804 1.00 35.53 H new ATOM 0 HH11 ARG A 82 16.575 17.887 -17.958 1.00 1.13 H new ATOM 0 HH12 ARG A 82 15.866 19.470 -18.292 1.00 1.13 H new ATOM 0 HH21 ARG A 82 12.632 18.548 -17.234 1.00 42.12 H new ATOM 0 HH22 ARG A 82 13.643 19.843 -17.883 1.00 42.12 H new ATOM 1296 N LYS A 83 14.844 14.681 -11.501 1.00 41.31 N ATOM 1297 CA LYS A 83 15.055 15.241 -10.171 1.00 61.23 C ATOM 1298 C LYS A 83 15.315 14.137 -9.151 1.00 75.23 C ATOM 1299 O LYS A 83 16.196 14.258 -8.302 1.00 22.31 O ATOM 1300 CB LYS A 83 13.840 16.068 -9.745 1.00 45.41 C ATOM 1301 CG LYS A 83 13.796 17.451 -10.373 1.00 31.14 C ATOM 1302 CD LYS A 83 14.871 18.359 -9.799 1.00 33.34 C ATOM 1303 CE LYS A 83 15.309 19.410 -10.807 1.00 25.41 C ATOM 1304 NZ LYS A 83 16.169 18.829 -11.875 1.00 60.42 N ATOM 0 H LYS A 83 13.887 14.380 -11.684 1.00 41.31 H new ATOM 0 HA LYS A 83 15.931 15.888 -10.211 1.00 61.23 H new ATOM 0 HB2 LYS A 83 12.932 15.528 -10.012 1.00 45.41 H new ATOM 0 HB3 LYS A 83 13.843 16.171 -8.660 1.00 45.41 H new ATOM 0 HG2 LYS A 83 13.928 17.366 -11.452 1.00 31.14 H new ATOM 0 HG3 LYS A 83 12.815 17.896 -10.206 1.00 31.14 H new ATOM 0 HD2 LYS A 83 14.494 18.849 -8.901 1.00 33.34 H new ATOM 0 HD3 LYS A 83 15.731 17.761 -9.498 1.00 33.34 H new ATOM 0 HE2 LYS A 83 14.430 19.869 -11.258 1.00 25.41 H new ATOM 0 HE3 LYS A 83 15.854 20.202 -10.293 1.00 25.41 H new ATOM 0 HZ1 LYS A 83 16.624 19.596 -12.410 1.00 60.42 H new ATOM 0 HZ2 LYS A 83 16.899 18.227 -11.444 1.00 60.42 H new ATOM 0 HZ3 LYS A 83 15.585 18.257 -12.518 1.00 60.42 H new ATOM 1318 N GLY A 84 14.541 13.059 -9.242 1.00 51.15 N ATOM 1319 CA GLY A 84 14.704 11.949 -8.322 1.00 61.23 C ATOM 1320 C GLY A 84 14.011 12.188 -6.996 1.00 11.52 C ATOM 1321 O GLY A 84 14.453 11.694 -5.959 1.00 34.22 O ATOM 0 H GLY A 84 13.804 12.935 -9.937 1.00 51.15 H new ATOM 0 HA2 GLY A 84 14.307 11.042 -8.778 1.00 61.23 H new ATOM 0 HA3 GLY A 84 15.766 11.779 -8.148 1.00 61.23 H new