USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=13 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 -61:sc= -0.851 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 160:sc= -0.755 USER MOD Single : A 21 GLN : amide:sc=-0.00346 K(o=-0.0035,f=-0.78) USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.31 (180deg=-1.1) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0387 USER MOD Single : A 31 THR OG1 : rot -37:sc= -0.727 USER MOD Single : A 33 SER OG : rot 180:sc= -0.284 USER MOD Single : A 40 ASN : amide:sc= 0.148 K(o=0.15,f=-4.1!) 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+ 151:sc= -0.104 (180deg=-0.666) USER MOD Single : A 64 ASN : amide:sc= -0.0762 K(o=-0.076,f=-0.63) USER MOD Single : A 67 ASN : amide:sc= -0.378 X(o=-0.38,f=-0.1) USER MOD Single : A 71 THR OG1 : rot 110:sc= -0.506 USER MOD Single : A 77 ASN : amide:sc= -1.3 K(o=-1.3,f=-2.1!) USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= 0.928 (180deg=0.479) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 83 N ASP A 8 9.046 11.216 -6.822 1.00 14.12 N ATOM 84 CA ASP A 8 7.779 10.943 -7.491 1.00 13.25 C ATOM 85 C ASP A 8 6.688 11.888 -6.995 1.00 21.32 C ATOM 86 O ASP A 8 5.576 11.896 -7.521 1.00 12.32 O ATOM 87 CB ASP A 8 7.357 9.491 -7.259 1.00 5.34 C ATOM 88 CG ASP A 8 6.353 9.009 -8.286 1.00 74.21 C ATOM 89 OD1 ASP A 8 6.780 8.578 -9.378 1.00 20.44 O ATOM 90 OD2 ASP A 8 5.139 9.062 -7.998 1.00 73.44 O ATOM 0 HA ASP A 8 7.918 11.106 -8.560 1.00 13.25 H new ATOM 0 HB2 ASP A 8 8.238 8.850 -7.288 1.00 5.34 H new ATOM 0 HB3 ASP A 8 6.927 9.396 -6.262 1.00 5.34 H new ATOM 95 N GLU A 9 7.015 12.680 -5.979 1.00 5.31 N ATOM 96 CA GLU A 9 6.062 13.627 -5.412 1.00 23.25 C ATOM 97 C GLU A 9 6.304 15.033 -5.953 1.00 21.12 C ATOM 98 O GLU A 9 5.460 15.918 -5.809 1.00 42.11 O ATOM 99 CB GLU A 9 6.162 13.632 -3.885 1.00 23.03 C ATOM 100 CG GLU A 9 4.879 14.058 -3.192 1.00 73.11 C ATOM 101 CD GLU A 9 3.699 13.179 -3.558 1.00 72.42 C ATOM 102 OE1 GLU A 9 3.926 12.078 -4.103 1.00 5.10 O ATOM 103 OE2 GLU A 9 2.549 13.591 -3.301 1.00 34.45 O ATOM 0 H GLU A 9 7.932 12.685 -5.532 1.00 5.31 H new ATOM 0 HA GLU A 9 5.060 13.312 -5.703 1.00 23.25 H new ATOM 0 HB2 GLU A 9 6.435 12.633 -3.544 1.00 23.03 H new ATOM 0 HB3 GLU A 9 6.967 14.302 -3.584 1.00 23.03 H new ATOM 0 HG2 GLU A 9 5.027 14.030 -2.112 1.00 73.11 H new ATOM 0 HG3 GLU A 9 4.653 15.091 -3.456 1.00 73.11 H new ATOM 110 N ILE A 10 7.462 15.230 -6.574 1.00 53.24 N ATOM 111 CA ILE A 10 7.815 16.528 -7.137 1.00 74.54 C ATOM 112 C ILE A 10 6.696 17.064 -8.025 1.00 4.35 C ATOM 113 O ILE A 10 6.217 18.182 -7.830 1.00 62.41 O ATOM 114 CB ILE A 10 9.114 16.450 -7.960 1.00 24.33 C ATOM 115 CG1 ILE A 10 10.257 15.909 -7.098 1.00 3.01 C ATOM 116 CG2 ILE A 10 9.469 17.819 -8.521 1.00 31.40 C ATOM 117 CD1 ILE A 10 11.573 15.803 -7.837 1.00 21.05 C ATOM 0 H ILE A 10 8.171 14.508 -6.700 1.00 53.24 H new ATOM 0 HA ILE A 10 7.967 17.206 -6.297 1.00 74.54 H new ATOM 0 HB ILE A 10 8.958 15.767 -8.795 1.00 24.33 H new ATOM 0 HG12 ILE A 10 10.387 16.558 -6.232 1.00 3.01 H new ATOM 0 HG13 ILE A 10 9.982 14.925 -6.720 1.00 3.01 H new ATOM 0 HG21 ILE A 10 10.390 17.747 -9.100 1.00 31.40 H new ATOM 0 HG22 ILE A 10 8.662 18.169 -9.164 1.00 31.40 H new ATOM 0 HG23 ILE A 10 9.610 18.523 -7.701 1.00 31.40 H new ATOM 0 HD11 ILE A 10 12.337 15.413 -7.165 1.00 21.05 H new ATOM 0 HD12 ILE A 10 11.460 15.130 -8.687 1.00 21.05 H new ATOM 0 HD13 ILE A 10 11.871 16.789 -8.192 1.00 21.05 H new ATOM 129 N PHE A 11 6.284 16.260 -8.998 1.00 75.14 N ATOM 130 CA PHE A 11 5.220 16.653 -9.916 1.00 4.32 C ATOM 131 C PHE A 11 3.919 16.912 -9.162 1.00 4.14 C ATOM 132 O PHE A 11 3.109 17.744 -9.568 1.00 53.42 O ATOM 133 CB PHE A 11 5.003 15.569 -10.973 1.00 61.02 C ATOM 134 CG PHE A 11 3.968 14.552 -10.585 1.00 54.43 C ATOM 135 CD1 PHE A 11 4.250 13.584 -9.635 1.00 41.22 C ATOM 136 CD2 PHE A 11 2.712 14.565 -11.170 1.00 53.33 C ATOM 137 CE1 PHE A 11 3.299 12.647 -9.277 1.00 43.22 C ATOM 138 CE2 PHE A 11 1.757 13.631 -10.816 1.00 13.00 C ATOM 139 CZ PHE A 11 2.051 12.671 -9.867 1.00 53.43 C ATOM 0 H PHE A 11 6.670 15.332 -9.172 1.00 75.14 H new ATOM 0 HA PHE A 11 5.523 17.576 -10.410 1.00 4.32 H new ATOM 0 HB2 PHE A 11 4.704 16.040 -11.909 1.00 61.02 H new ATOM 0 HB3 PHE A 11 5.949 15.060 -11.160 1.00 61.02 H new ATOM 0 HD1 PHE A 11 5.224 13.561 -9.169 1.00 41.22 H new ATOM 0 HD2 PHE A 11 2.477 15.314 -11.912 1.00 53.33 H new ATOM 0 HE1 PHE A 11 3.532 11.897 -8.536 1.00 43.22 H new ATOM 0 HE2 PHE A 11 0.782 13.651 -11.281 1.00 13.00 H new ATOM 0 HZ PHE A 11 1.306 11.941 -9.587 1.00 53.43 H new ATOM 149 N SER A 12 3.727 16.192 -8.061 1.00 1.20 N ATOM 150 CA SER A 12 2.523 16.340 -7.252 1.00 22.14 C ATOM 151 C SER A 12 2.534 17.667 -6.498 1.00 64.43 C ATOM 152 O SER A 12 1.526 18.370 -6.440 1.00 75.11 O ATOM 153 CB SER A 12 2.403 15.179 -6.262 1.00 1.42 C ATOM 154 OG SER A 12 2.959 15.522 -5.004 1.00 54.31 O ATOM 0 H SER A 12 4.389 15.501 -7.709 1.00 1.20 H new ATOM 0 HA SER A 12 1.662 16.329 -7.921 1.00 22.14 H new ATOM 0 HB2 SER A 12 1.354 14.909 -6.138 1.00 1.42 H new ATOM 0 HB3 SER A 12 2.913 14.302 -6.661 1.00 1.42 H new ATOM 0 HG SER A 12 3.912 15.724 -5.112 1.00 54.31 H new ATOM 160 N LYS A 13 3.683 18.003 -5.922 1.00 65.31 N ATOM 161 CA LYS A 13 3.830 19.245 -5.173 1.00 35.03 C ATOM 162 C LYS A 13 3.643 20.455 -6.083 1.00 33.41 C ATOM 163 O LYS A 13 2.963 21.416 -5.723 1.00 73.31 O ATOM 164 CB LYS A 13 5.205 19.303 -4.505 1.00 44.23 C ATOM 165 CG LYS A 13 5.431 20.562 -3.685 1.00 33.40 C ATOM 166 CD LYS A 13 4.878 20.416 -2.277 1.00 60.21 C ATOM 167 CE LYS A 13 4.784 21.761 -1.573 1.00 72.13 C ATOM 168 NZ LYS A 13 6.084 22.163 -0.968 1.00 70.43 N ATOM 0 H LYS A 13 4.527 17.432 -5.960 1.00 65.31 H new ATOM 0 HA LYS A 13 3.058 19.269 -4.403 1.00 35.03 H new ATOM 0 HB2 LYS A 13 5.323 18.433 -3.859 1.00 44.23 H new ATOM 0 HB3 LYS A 13 5.976 19.237 -5.273 1.00 44.23 H new ATOM 0 HG2 LYS A 13 6.498 20.780 -3.637 1.00 33.40 H new ATOM 0 HG3 LYS A 13 4.954 21.409 -4.178 1.00 33.40 H new ATOM 0 HD2 LYS A 13 3.891 19.956 -2.319 1.00 60.21 H new ATOM 0 HD3 LYS A 13 5.517 19.747 -1.701 1.00 60.21 H new ATOM 0 HE2 LYS A 13 4.464 22.522 -2.285 1.00 72.13 H new ATOM 0 HE3 LYS A 13 4.022 21.711 -0.796 1.00 72.13 H new ATOM 0 HZ1 LYS A 13 5.978 23.085 -0.498 1.00 70.43 H new ATOM 0 HZ2 LYS A 13 6.377 21.450 -0.270 1.00 70.43 H new ATOM 0 HZ3 LYS A 13 6.806 22.235 -1.713 1.00 70.43 H new ATOM 182 N VAL A 14 4.249 20.400 -7.264 1.00 45.04 N ATOM 183 CA VAL A 14 4.148 21.490 -8.227 1.00 53.12 C ATOM 184 C VAL A 14 2.711 21.670 -8.704 1.00 33.12 C ATOM 185 O VAL A 14 2.203 22.790 -8.769 1.00 20.45 O ATOM 186 CB VAL A 14 5.055 21.247 -9.448 1.00 2.42 C ATOM 187 CG1 VAL A 14 4.950 22.404 -10.430 1.00 72.01 C ATOM 188 CG2 VAL A 14 6.496 21.041 -9.007 1.00 44.10 C ATOM 0 H VAL A 14 4.816 19.612 -7.577 1.00 45.04 H new ATOM 0 HA VAL A 14 4.475 22.395 -7.715 1.00 53.12 H new ATOM 0 HB VAL A 14 4.720 20.341 -9.954 1.00 2.42 H new ATOM 0 HG11 VAL A 14 5.598 22.215 -11.286 1.00 72.01 H new ATOM 0 HG12 VAL A 14 3.919 22.501 -10.770 1.00 72.01 H new ATOM 0 HG13 VAL A 14 5.258 23.327 -9.939 1.00 72.01 H new ATOM 0 HG21 VAL A 14 7.123 20.871 -9.882 1.00 44.10 H new ATOM 0 HG22 VAL A 14 6.845 21.928 -8.477 1.00 44.10 H new ATOM 0 HG23 VAL A 14 6.554 20.177 -8.345 1.00 44.10 H new ATOM 198 N ARG A 15 2.060 20.560 -9.036 1.00 30.20 N ATOM 199 CA ARG A 15 0.681 20.595 -9.508 1.00 31.35 C ATOM 200 C ARG A 15 -0.266 21.017 -8.388 1.00 40.30 C ATOM 201 O ARG A 15 -1.310 21.619 -8.639 1.00 32.13 O ATOM 202 CB ARG A 15 0.269 19.224 -10.048 1.00 23.12 C ATOM 203 CG ARG A 15 -0.568 19.295 -11.314 1.00 71.32 C ATOM 204 CD ARG A 15 -0.022 18.375 -12.395 1.00 52.12 C ATOM 205 NE ARG A 15 1.384 18.645 -12.684 1.00 72.53 N ATOM 206 CZ ARG A 15 1.977 18.311 -13.825 1.00 74.23 C ATOM 207 NH1 ARG A 15 1.289 17.699 -14.779 1.00 73.32 N ATOM 208 NH2 ARG A 15 3.260 18.590 -14.014 1.00 20.21 N ATOM 0 H ARG A 15 2.465 19.625 -8.987 1.00 30.20 H new ATOM 0 HA ARG A 15 0.617 21.329 -10.311 1.00 31.35 H new ATOM 0 HB2 ARG A 15 1.166 18.637 -10.248 1.00 23.12 H new ATOM 0 HB3 ARG A 15 -0.294 18.694 -9.279 1.00 23.12 H new ATOM 0 HG2 ARG A 15 -1.598 19.020 -11.087 1.00 71.32 H new ATOM 0 HG3 ARG A 15 -0.586 20.321 -11.683 1.00 71.32 H new ATOM 0 HD2 ARG A 15 -0.135 17.338 -12.079 1.00 52.12 H new ATOM 0 HD3 ARG A 15 -0.609 18.497 -13.305 1.00 52.12 H new ATOM 0 HE ARG A 15 1.941 19.116 -11.971 1.00 72.53 H new ATOM 0 HH11 ARG A 15 0.302 17.484 -14.638 1.00 73.32 H new ATOM 0 HH12 ARG A 15 1.747 17.444 -15.654 1.00 73.32 H new ATOM 0 HH21 ARG A 15 3.792 19.061 -13.283 1.00 20.21 H new ATOM 0 HH22 ARG A 15 3.714 18.333 -14.890 1.00 20.21 H new ATOM 222 N SER A 16 0.106 20.698 -7.153 1.00 25.32 N ATOM 223 CA SER A 16 -0.711 21.040 -5.995 1.00 53.21 C ATOM 224 C SER A 16 -0.884 22.552 -5.880 1.00 22.32 C ATOM 225 O SER A 16 -1.846 23.034 -5.281 1.00 61.41 O ATOM 226 CB SER A 16 -0.079 20.489 -4.716 1.00 64.40 C ATOM 227 OG SER A 16 -0.854 20.823 -3.578 1.00 73.11 O ATOM 0 H SER A 16 0.969 20.203 -6.928 1.00 25.32 H new ATOM 0 HA SER A 16 -1.694 20.588 -6.129 1.00 53.21 H new ATOM 0 HB2 SER A 16 0.014 19.406 -4.791 1.00 64.40 H new ATOM 0 HB3 SER A 16 0.929 20.889 -4.603 1.00 64.40 H new ATOM 0 HG SER A 16 -0.429 20.458 -2.774 1.00 73.11 H new ATOM 233 N ILE A 17 0.055 23.294 -6.457 1.00 62.42 N ATOM 234 CA ILE A 17 0.007 24.750 -6.421 1.00 23.14 C ATOM 235 C ILE A 17 -1.012 25.292 -7.417 1.00 64.35 C ATOM 236 O ILE A 17 -1.902 26.060 -7.054 1.00 53.41 O ATOM 237 CB ILE A 17 1.385 25.366 -6.726 1.00 2.43 C ATOM 238 CG1 ILE A 17 2.445 24.791 -5.784 1.00 43.32 C ATOM 239 CG2 ILE A 17 1.326 26.882 -6.603 1.00 64.34 C ATOM 240 CD1 ILE A 17 3.858 25.193 -6.147 1.00 52.21 C ATOM 0 H ILE A 17 0.858 22.911 -6.955 1.00 62.42 H new ATOM 0 HA ILE A 17 -0.292 25.031 -5.411 1.00 23.14 H new ATOM 0 HB ILE A 17 1.661 25.114 -7.750 1.00 2.43 H new ATOM 0 HG12 ILE A 17 2.232 25.120 -4.767 1.00 43.32 H new ATOM 0 HG13 ILE A 17 2.373 23.703 -5.789 1.00 43.32 H new ATOM 0 HG21 ILE A 17 2.307 27.303 -6.821 1.00 64.34 H new ATOM 0 HG22 ILE A 17 0.596 27.276 -7.310 1.00 64.34 H new ATOM 0 HG23 ILE A 17 1.032 27.154 -5.589 1.00 64.34 H new ATOM 0 HD11 ILE A 17 4.556 24.750 -5.437 1.00 52.21 H new ATOM 0 HD12 ILE A 17 4.090 24.841 -7.152 1.00 52.21 H new ATOM 0 HD13 ILE A 17 3.947 26.279 -6.114 1.00 52.21 H new ATOM 252 N ILE A 18 -0.875 24.884 -8.675 1.00 10.42 N ATOM 253 CA ILE A 18 -1.786 25.327 -9.724 1.00 24.34 C ATOM 254 C ILE A 18 -3.162 24.690 -9.562 1.00 25.53 C ATOM 255 O ILE A 18 -4.177 25.278 -9.933 1.00 0.13 O ATOM 256 CB ILE A 18 -1.238 24.990 -11.123 1.00 40.33 C ATOM 257 CG1 ILE A 18 -1.070 23.477 -11.279 1.00 55.42 C ATOM 258 CG2 ILE A 18 0.086 25.702 -11.359 1.00 54.43 C ATOM 259 CD1 ILE A 18 -0.564 23.063 -12.643 1.00 50.00 C ATOM 0 H ILE A 18 -0.143 24.248 -8.992 1.00 10.42 H new ATOM 0 HA ILE A 18 -1.876 26.409 -9.629 1.00 24.34 H new ATOM 0 HB ILE A 18 -1.953 25.336 -11.869 1.00 40.33 H new ATOM 0 HG12 ILE A 18 -0.377 23.116 -10.519 1.00 55.42 H new ATOM 0 HG13 ILE A 18 -2.028 22.992 -11.093 1.00 55.42 H new ATOM 0 HG21 ILE A 18 0.461 25.454 -12.352 1.00 54.43 H new ATOM 0 HG22 ILE A 18 -0.062 26.779 -11.286 1.00 54.43 H new ATOM 0 HG23 ILE A 18 0.809 25.383 -10.608 1.00 54.43 H new ATOM 0 HD11 ILE A 18 -0.469 21.978 -12.682 1.00 50.00 H new ATOM 0 HD12 ILE A 18 -1.267 23.393 -13.408 1.00 50.00 H new ATOM 0 HD13 ILE A 18 0.409 23.519 -12.824 1.00 50.00 H new ATOM 271 N SER A 19 -3.187 23.483 -9.004 1.00 12.54 N ATOM 272 CA SER A 19 -4.439 22.765 -8.794 1.00 25.22 C ATOM 273 C SER A 19 -5.473 23.660 -8.119 1.00 2.43 C ATOM 274 O SER A 19 -6.676 23.488 -8.309 1.00 12.50 O ATOM 275 CB SER A 19 -4.197 21.515 -7.945 1.00 13.23 C ATOM 276 OG SER A 19 -3.687 21.857 -6.668 1.00 11.14 O ATOM 0 H SER A 19 -2.356 22.983 -8.690 1.00 12.54 H new ATOM 0 HA SER A 19 -4.825 22.466 -9.768 1.00 25.22 H new ATOM 0 HB2 SER A 19 -5.130 20.962 -7.832 1.00 13.23 H new ATOM 0 HB3 SER A 19 -3.496 20.855 -8.455 1.00 13.23 H new ATOM 0 HG SER A 19 -3.838 21.115 -6.046 1.00 11.14 H new ATOM 282 N GLU A 20 -4.993 24.617 -7.329 1.00 73.53 N ATOM 283 CA GLU A 20 -5.876 25.539 -6.625 1.00 31.11 C ATOM 284 C GLU A 20 -6.781 26.281 -7.604 1.00 72.33 C ATOM 285 O GLU A 20 -8.005 26.241 -7.485 1.00 73.12 O ATOM 286 CB GLU A 20 -5.057 26.542 -5.810 1.00 41.23 C ATOM 287 CG GLU A 20 -5.907 27.506 -5.000 1.00 2.14 C ATOM 288 CD GLU A 20 -6.425 26.889 -3.715 1.00 63.41 C ATOM 289 OE1 GLU A 20 -6.409 25.644 -3.607 1.00 51.43 O ATOM 290 OE2 GLU A 20 -6.846 27.649 -2.818 1.00 65.33 O ATOM 0 H GLU A 20 -3.999 24.773 -7.161 1.00 73.53 H new ATOM 0 HA GLU A 20 -6.502 24.957 -5.949 1.00 31.11 H new ATOM 0 HB2 GLU A 20 -4.398 25.996 -5.135 1.00 41.23 H new ATOM 0 HB3 GLU A 20 -4.420 27.112 -6.486 1.00 41.23 H new ATOM 0 HG2 GLU A 20 -5.318 28.392 -4.762 1.00 2.14 H new ATOM 0 HG3 GLU A 20 -6.751 27.837 -5.605 1.00 2.14 H new ATOM 297 N GLN A 21 -6.169 26.957 -8.571 1.00 23.30 N ATOM 298 CA GLN A 21 -6.919 27.709 -9.570 1.00 62.30 C ATOM 299 C GLN A 21 -7.339 26.808 -10.727 1.00 44.21 C ATOM 300 O GLN A 21 -8.492 26.831 -11.159 1.00 1.21 O ATOM 301 CB GLN A 21 -6.082 28.876 -10.095 1.00 3.43 C ATOM 302 CG GLN A 21 -5.526 29.768 -8.996 1.00 44.34 C ATOM 303 CD GLN A 21 -6.614 30.471 -8.208 1.00 64.23 C ATOM 304 OE1 GLN A 21 -6.872 30.138 -7.051 1.00 63.43 O ATOM 305 NE2 GLN A 21 -7.259 31.450 -8.832 1.00 64.30 N ATOM 0 H GLN A 21 -5.156 26.999 -8.684 1.00 23.30 H new ATOM 0 HA GLN A 21 -7.818 28.101 -9.094 1.00 62.30 H new ATOM 0 HB2 GLN A 21 -5.255 28.482 -10.686 1.00 3.43 H new ATOM 0 HB3 GLN A 21 -6.694 29.479 -10.766 1.00 3.43 H new ATOM 0 HG2 GLN A 21 -4.921 29.167 -8.317 1.00 44.34 H new ATOM 0 HG3 GLN A 21 -4.864 30.513 -9.438 1.00 44.34 H new ATOM 0 HE21 GLN A 21 -7.012 31.693 -9.791 1.00 64.30 H new ATOM 0 HE22 GLN A 21 -8.001 31.959 -8.352 1.00 64.30 H new ATOM 314 N LEU A 22 -6.396 26.016 -11.226 1.00 1.03 N ATOM 315 CA LEU A 22 -6.668 25.107 -12.334 1.00 4.11 C ATOM 316 C LEU A 22 -7.743 24.094 -11.956 1.00 31.31 C ATOM 317 O LEU A 22 -8.457 23.581 -12.818 1.00 15.14 O ATOM 318 CB LEU A 22 -5.388 24.379 -12.748 1.00 24.13 C ATOM 319 CG LEU A 22 -4.496 25.108 -13.753 1.00 42.13 C ATOM 320 CD1 LEU A 22 -4.140 26.496 -13.243 1.00 72.03 C ATOM 321 CD2 LEU A 22 -3.236 24.301 -14.032 1.00 40.30 C ATOM 0 H LEU A 22 -5.437 25.985 -10.881 1.00 1.03 H new ATOM 0 HA LEU A 22 -7.031 25.697 -13.175 1.00 4.11 H new ATOM 0 HB2 LEU A 22 -4.802 24.178 -11.851 1.00 24.13 H new ATOM 0 HB3 LEU A 22 -5.664 23.413 -13.171 1.00 24.13 H new ATOM 0 HG LEU A 22 -5.048 25.217 -14.687 1.00 42.13 H new ATOM 0 HD11 LEU A 22 -3.505 27.000 -13.972 1.00 72.03 H new ATOM 0 HD12 LEU A 22 -5.052 27.074 -13.096 1.00 72.03 H new ATOM 0 HD13 LEU A 22 -3.608 26.410 -12.296 1.00 72.03 H new ATOM 0 HD21 LEU A 22 -2.613 24.835 -14.749 1.00 40.30 H new ATOM 0 HD22 LEU A 22 -2.681 24.160 -13.104 1.00 40.30 H new ATOM 0 HD23 LEU A 22 -3.510 23.329 -14.442 1.00 40.30 H new ATOM 333 N ASP A 23 -7.854 23.811 -10.663 1.00 1.24 N ATOM 334 CA ASP A 23 -8.845 22.862 -10.170 1.00 22.45 C ATOM 335 C ASP A 23 -8.764 21.545 -10.936 1.00 54.22 C ATOM 336 O ASP A 23 -9.766 20.849 -11.103 1.00 52.23 O ATOM 337 CB ASP A 23 -10.251 23.451 -10.289 1.00 71.14 C ATOM 338 CG ASP A 23 -11.204 22.889 -9.253 1.00 14.30 C ATOM 339 OD1 ASP A 23 -10.728 22.238 -8.299 1.00 52.13 O ATOM 340 OD2 ASP A 23 -12.427 23.102 -9.395 1.00 24.41 O ATOM 0 H ASP A 23 -7.270 24.225 -9.937 1.00 1.24 H new ATOM 0 HA ASP A 23 -8.631 22.664 -9.120 1.00 22.45 H new ATOM 0 HB2 ASP A 23 -10.198 24.534 -10.180 1.00 71.14 H new ATOM 0 HB3 ASP A 23 -10.643 23.250 -11.286 1.00 71.14 H new ATOM 345 N LYS A 24 -7.566 21.210 -11.401 1.00 61.35 N ATOM 346 CA LYS A 24 -7.353 19.977 -12.151 1.00 11.03 C ATOM 347 C LYS A 24 -6.650 18.932 -11.290 1.00 43.14 C ATOM 348 O LYS A 24 -6.151 19.238 -10.207 1.00 41.12 O ATOM 349 CB LYS A 24 -6.528 20.257 -13.409 1.00 21.32 C ATOM 350 CG LYS A 24 -7.370 20.610 -14.622 1.00 51.34 C ATOM 351 CD LYS A 24 -7.875 19.366 -15.333 1.00 22.52 C ATOM 352 CE LYS A 24 -6.953 18.962 -16.473 1.00 42.33 C ATOM 353 NZ LYS A 24 -5.704 18.320 -15.977 1.00 12.43 N ATOM 0 H LYS A 24 -6.727 21.775 -11.272 1.00 61.35 H new ATOM 0 HA LYS A 24 -8.327 19.585 -12.444 1.00 11.03 H new ATOM 0 HB2 LYS A 24 -5.838 21.076 -13.206 1.00 21.32 H new ATOM 0 HB3 LYS A 24 -5.923 19.380 -13.640 1.00 21.32 H new ATOM 0 HG2 LYS A 24 -8.217 21.222 -14.312 1.00 51.34 H new ATOM 0 HG3 LYS A 24 -6.779 21.211 -15.314 1.00 51.34 H new ATOM 0 HD2 LYS A 24 -7.955 18.545 -14.620 1.00 22.52 H new ATOM 0 HD3 LYS A 24 -8.877 19.549 -15.721 1.00 22.52 H new ATOM 0 HE2 LYS A 24 -7.476 18.273 -17.136 1.00 42.33 H new ATOM 0 HE3 LYS A 24 -6.699 19.842 -17.064 1.00 42.33 H new ATOM 0 HZ1 LYS A 24 -5.298 17.726 -16.727 1.00 12.43 H new ATOM 0 HZ2 LYS A 24 -5.019 19.055 -15.708 1.00 12.43 H new ATOM 0 HZ3 LYS A 24 -5.922 17.731 -15.148 1.00 12.43 H new ATOM 367 N LYS A 25 -6.612 17.697 -11.780 1.00 50.50 N ATOM 368 CA LYS A 25 -5.967 16.607 -11.058 1.00 73.01 C ATOM 369 C LYS A 25 -4.601 16.291 -11.657 1.00 64.12 C ATOM 370 O LYS A 25 -4.461 16.162 -12.873 1.00 33.51 O ATOM 371 CB LYS A 25 -6.850 15.357 -11.087 1.00 2.04 C ATOM 372 CG LYS A 25 -7.749 15.220 -9.870 1.00 71.53 C ATOM 373 CD LYS A 25 -8.925 16.180 -9.935 1.00 21.24 C ATOM 374 CE LYS A 25 -8.608 17.496 -9.242 1.00 10.24 C ATOM 375 NZ LYS A 25 -9.061 17.499 -7.823 1.00 52.31 N ATOM 0 H LYS A 25 -7.021 17.426 -12.675 1.00 50.50 H new ATOM 0 HA LYS A 25 -5.826 16.922 -10.024 1.00 73.01 H new ATOM 0 HB2 LYS A 25 -7.468 15.380 -11.984 1.00 2.04 H new ATOM 0 HB3 LYS A 25 -6.214 14.475 -11.160 1.00 2.04 H new ATOM 0 HG2 LYS A 25 -8.117 14.196 -9.802 1.00 71.53 H new ATOM 0 HG3 LYS A 25 -7.171 15.412 -8.966 1.00 71.53 H new ATOM 0 HD2 LYS A 25 -9.185 16.369 -10.977 1.00 21.24 H new ATOM 0 HD3 LYS A 25 -9.797 15.722 -9.467 1.00 21.24 H new ATOM 0 HE2 LYS A 25 -7.534 17.677 -9.281 1.00 10.24 H new ATOM 0 HE3 LYS A 25 -9.089 18.314 -9.778 1.00 10.24 H new ATOM 0 HZ1 LYS A 25 -8.827 18.413 -7.386 1.00 52.31 H new ATOM 0 HZ2 LYS A 25 -10.090 17.351 -7.787 1.00 52.31 H new ATOM 0 HZ3 LYS A 25 -8.583 16.735 -7.304 1.00 52.31 H new ATOM 389 N GLU A 26 -3.596 16.167 -10.795 1.00 70.34 N ATOM 390 CA GLU A 26 -2.241 15.865 -11.241 1.00 61.13 C ATOM 391 C GLU A 26 -2.170 14.473 -11.862 1.00 24.53 C ATOM 392 O GLU A 26 -1.216 14.144 -12.567 1.00 62.32 O ATOM 393 CB GLU A 26 -1.261 15.964 -10.070 1.00 41.34 C ATOM 394 CG GLU A 26 -1.661 15.124 -8.869 1.00 44.22 C ATOM 395 CD GLU A 26 -0.766 13.915 -8.680 1.00 31.54 C ATOM 396 OE1 GLU A 26 -0.899 12.951 -9.463 1.00 23.20 O ATOM 397 OE2 GLU A 26 0.066 13.931 -7.749 1.00 11.13 O ATOM 0 H GLU A 26 -3.695 16.271 -9.785 1.00 70.34 H new ATOM 0 HA GLU A 26 -1.964 16.597 -12.000 1.00 61.13 H new ATOM 0 HB2 GLU A 26 -0.272 15.653 -10.407 1.00 41.34 H new ATOM 0 HB3 GLU A 26 -1.179 17.007 -9.763 1.00 41.34 H new ATOM 0 HG2 GLU A 26 -1.627 15.741 -7.971 1.00 44.22 H new ATOM 0 HG3 GLU A 26 -2.693 14.793 -8.989 1.00 44.22 H new ATOM 404 N ASP A 27 -3.185 13.659 -11.593 1.00 2.12 N ATOM 405 CA ASP A 27 -3.239 12.302 -12.124 1.00 43.12 C ATOM 406 C ASP A 27 -3.835 12.292 -13.528 1.00 61.33 C ATOM 407 O ASP A 27 -4.150 11.233 -14.071 1.00 10.23 O ATOM 408 CB ASP A 27 -4.061 11.402 -11.201 1.00 13.23 C ATOM 409 CG ASP A 27 -3.688 9.939 -11.335 1.00 3.00 C ATOM 410 OD1 ASP A 27 -2.484 9.622 -11.235 1.00 44.24 O ATOM 411 OD2 ASP A 27 -4.599 9.111 -11.539 1.00 34.44 O ATOM 0 H ASP A 27 -3.982 13.916 -11.010 1.00 2.12 H new ATOM 0 HA ASP A 27 -2.220 11.919 -12.178 1.00 43.12 H new ATOM 0 HB2 ASP A 27 -3.916 11.717 -10.168 1.00 13.23 H new ATOM 0 HB3 ASP A 27 -5.120 11.526 -11.427 1.00 13.23 H new ATOM 416 N GLU A 28 -3.987 13.477 -14.110 1.00 15.41 N ATOM 417 CA GLU A 28 -4.548 13.604 -15.450 1.00 60.31 C ATOM 418 C GLU A 28 -3.454 13.503 -16.509 1.00 61.41 C ATOM 419 O GLU A 28 -3.682 13.798 -17.683 1.00 33.05 O ATOM 420 CB GLU A 28 -5.290 14.934 -15.593 1.00 73.13 C ATOM 421 CG GLU A 28 -6.660 14.940 -14.936 1.00 54.24 C ATOM 422 CD GLU A 28 -7.703 14.203 -15.754 1.00 41.15 C ATOM 423 OE1 GLU A 28 -8.257 14.809 -16.695 1.00 62.03 O ATOM 424 OE2 GLU A 28 -7.964 13.020 -15.453 1.00 75.53 O ATOM 0 H GLU A 28 -3.730 14.363 -13.675 1.00 15.41 H new ATOM 0 HA GLU A 28 -5.252 12.786 -15.600 1.00 60.31 H new ATOM 0 HB2 GLU A 28 -4.684 15.728 -15.157 1.00 73.13 H new ATOM 0 HB3 GLU A 28 -5.403 15.165 -16.652 1.00 73.13 H new ATOM 0 HG2 GLU A 28 -6.588 14.482 -13.949 1.00 54.24 H new ATOM 0 HG3 GLU A 28 -6.983 15.970 -14.786 1.00 54.24 H new ATOM 431 N ILE A 29 -2.266 13.084 -16.086 1.00 1.21 N ATOM 432 CA ILE A 29 -1.137 12.944 -16.997 1.00 61.20 C ATOM 433 C ILE A 29 -1.526 12.142 -18.234 1.00 64.24 C ATOM 434 O ILE A 29 -1.807 10.946 -18.151 1.00 23.35 O ATOM 435 CB ILE A 29 0.059 12.259 -16.310 1.00 22.20 C ATOM 436 CG1 ILE A 29 0.524 13.082 -15.107 1.00 44.01 C ATOM 437 CG2 ILE A 29 1.199 12.066 -17.299 1.00 72.32 C ATOM 438 CD1 ILE A 29 0.906 14.503 -15.459 1.00 14.15 C ATOM 0 H ILE A 29 -2.061 12.836 -15.118 1.00 1.21 H new ATOM 0 HA ILE A 29 -0.846 13.951 -17.296 1.00 61.20 H new ATOM 0 HB ILE A 29 -0.258 11.278 -15.955 1.00 22.20 H new ATOM 0 HG12 ILE A 29 -0.271 13.102 -14.361 1.00 44.01 H new ATOM 0 HG13 ILE A 29 1.380 12.587 -14.647 1.00 44.01 H new ATOM 0 HG21 ILE A 29 2.037 11.581 -16.798 1.00 72.32 H new ATOM 0 HG22 ILE A 29 0.861 11.443 -18.127 1.00 72.32 H new ATOM 0 HG23 ILE A 29 1.517 13.036 -17.681 1.00 72.32 H new ATOM 0 HD11 ILE A 29 1.226 15.028 -14.559 1.00 14.15 H new ATOM 0 HD12 ILE A 29 1.722 14.492 -16.181 1.00 14.15 H new ATOM 0 HD13 ILE A 29 0.046 15.015 -15.891 1.00 14.15 H new ATOM 450 N THR A 30 -1.538 12.808 -19.385 1.00 31.01 N ATOM 451 CA THR A 30 -1.891 12.158 -20.641 1.00 13.04 C ATOM 452 C THR A 30 -1.527 13.033 -21.834 1.00 42.33 C ATOM 453 O THR A 30 -1.379 14.249 -21.705 1.00 15.13 O ATOM 454 CB THR A 30 -3.395 11.829 -20.700 1.00 10.44 C ATOM 455 OG1 THR A 30 -3.719 11.242 -21.965 1.00 1.22 O ATOM 456 CG2 THR A 30 -4.231 13.082 -20.487 1.00 55.22 C ATOM 0 H THR A 30 -1.307 13.798 -19.473 1.00 31.01 H new ATOM 0 HA THR A 30 -1.321 11.230 -20.687 1.00 13.04 H new ATOM 0 HB THR A 30 -3.621 11.120 -19.903 1.00 10.44 H new ATOM 0 HG1 THR A 30 -4.676 11.034 -21.994 1.00 1.22 H new ATOM 0 HG21 THR A 30 -5.289 12.825 -20.533 1.00 55.22 H new ATOM 0 HG22 THR A 30 -4.003 13.510 -19.511 1.00 55.22 H new ATOM 0 HG23 THR A 30 -4.000 13.810 -21.265 1.00 55.22 H new ATOM 464 N THR A 31 -1.383 12.408 -22.999 1.00 1.12 N ATOM 465 CA THR A 31 -1.035 13.130 -24.216 1.00 52.21 C ATOM 466 C THR A 31 -2.259 13.808 -24.822 1.00 61.41 C ATOM 467 O THR A 31 -2.143 14.594 -25.762 1.00 0.41 O ATOM 468 CB THR A 31 -0.409 12.193 -25.266 1.00 21.22 C ATOM 469 OG1 THR A 31 -0.157 12.913 -26.477 1.00 44.14 O ATOM 470 CG2 THR A 31 -1.325 11.013 -25.553 1.00 30.23 C ATOM 0 H THR A 31 -1.502 11.403 -23.125 1.00 1.12 H new ATOM 0 HA THR A 31 -0.304 13.888 -23.935 1.00 52.21 H new ATOM 0 HB THR A 31 0.532 11.814 -24.867 1.00 21.22 H new ATOM 0 HG1 THR A 31 -0.878 13.559 -26.630 1.00 44.14 H new ATOM 0 HG21 THR A 31 -0.862 10.365 -26.297 1.00 30.23 H new ATOM 0 HG22 THR A 31 -1.491 10.450 -24.635 1.00 30.23 H new ATOM 0 HG23 THR A 31 -2.280 11.377 -25.933 1.00 30.23 H new ATOM 478 N ASP A 32 -3.431 13.498 -24.278 1.00 64.02 N ATOM 479 CA ASP A 32 -4.677 14.079 -24.765 1.00 23.14 C ATOM 480 C ASP A 32 -5.073 15.292 -23.929 1.00 51.32 C ATOM 481 O ASP A 32 -6.217 15.745 -23.978 1.00 44.21 O ATOM 482 CB ASP A 32 -5.796 13.037 -24.736 1.00 23.45 C ATOM 483 CG ASP A 32 -5.789 12.146 -25.962 1.00 73.04 C ATOM 484 OD1 ASP A 32 -4.733 11.548 -26.256 1.00 61.23 O ATOM 485 OD2 ASP A 32 -6.841 12.046 -26.628 1.00 41.31 O ATOM 0 H ASP A 32 -3.544 12.848 -23.500 1.00 64.02 H new ATOM 0 HA ASP A 32 -4.521 14.404 -25.794 1.00 23.14 H new ATOM 0 HB2 ASP A 32 -5.692 12.421 -23.842 1.00 23.45 H new ATOM 0 HB3 ASP A 32 -6.758 13.544 -24.664 1.00 23.45 H new ATOM 490 N SER A 33 -4.120 15.813 -23.162 1.00 55.25 N ATOM 491 CA SER A 33 -4.371 16.971 -22.312 1.00 54.14 C ATOM 492 C SER A 33 -3.531 18.164 -22.757 1.00 51.25 C ATOM 493 O SER A 33 -4.064 19.223 -23.090 1.00 2.11 O ATOM 494 CB SER A 33 -4.065 16.634 -20.852 1.00 34.12 C ATOM 495 OG SER A 33 -5.114 15.878 -20.272 1.00 74.55 O ATOM 0 H SER A 33 -3.168 15.452 -23.112 1.00 55.25 H new ATOM 0 HA SER A 33 -5.424 17.236 -22.403 1.00 54.14 H new ATOM 0 HB2 SER A 33 -3.132 16.073 -20.793 1.00 34.12 H new ATOM 0 HB3 SER A 33 -3.920 17.554 -20.286 1.00 34.12 H new ATOM 0 HG SER A 33 -4.893 15.674 -19.339 1.00 74.55 H new ATOM 501 N ARG A 34 -2.214 17.984 -22.761 1.00 33.01 N ATOM 502 CA ARG A 34 -1.299 19.045 -23.164 1.00 31.04 C ATOM 503 C ARG A 34 -1.389 20.232 -22.209 1.00 52.01 C ATOM 504 O ARG A 34 -2.049 20.160 -21.172 1.00 72.33 O ATOM 505 CB ARG A 34 -1.609 19.500 -24.591 1.00 45.10 C ATOM 506 CG ARG A 34 -1.763 18.353 -25.576 1.00 60.11 C ATOM 507 CD ARG A 34 -2.026 18.860 -26.985 1.00 42.23 C ATOM 508 NE ARG A 34 -0.789 19.187 -27.689 1.00 4.41 N ATOM 509 CZ ARG A 34 -0.020 18.282 -28.284 1.00 52.12 C ATOM 510 NH1 ARG A 34 -0.360 17.001 -28.261 1.00 74.24 N ATOM 511 NH2 ARG A 34 1.091 18.658 -28.904 1.00 60.25 N ATOM 0 H ARG A 34 -1.757 17.113 -22.490 1.00 33.01 H new ATOM 0 HA ARG A 34 -0.284 18.649 -23.129 1.00 31.04 H new ATOM 0 HB2 ARG A 34 -2.527 20.088 -24.585 1.00 45.10 H new ATOM 0 HB3 ARG A 34 -0.811 20.158 -24.935 1.00 45.10 H new ATOM 0 HG2 ARG A 34 -0.859 17.743 -25.570 1.00 60.11 H new ATOM 0 HG3 ARG A 34 -2.584 17.709 -25.261 1.00 60.11 H new ATOM 0 HD2 ARG A 34 -2.573 18.103 -27.546 1.00 42.23 H new ATOM 0 HD3 ARG A 34 -2.662 19.744 -26.939 1.00 42.23 H new ATOM 0 HE ARG A 34 -0.500 20.164 -27.726 1.00 4.41 H new ATOM 0 HH11 ARG A 34 -1.214 16.708 -27.786 1.00 74.24 H new ATOM 0 HH12 ARG A 34 0.232 16.308 -28.719 1.00 74.24 H new ATOM 0 HH21 ARG A 34 1.355 19.643 -28.924 1.00 60.25 H new ATOM 0 HH22 ARG A 34 1.681 17.962 -29.361 1.00 60.25 H new ATOM 525 N PHE A 35 -0.721 21.324 -22.566 1.00 63.30 N ATOM 526 CA PHE A 35 -0.724 22.526 -21.741 1.00 2.02 C ATOM 527 C PHE A 35 -2.099 23.188 -21.749 1.00 64.12 C ATOM 528 O PHE A 35 -2.499 23.827 -20.776 1.00 24.21 O ATOM 529 CB PHE A 35 0.333 23.514 -22.238 1.00 4.11 C ATOM 530 CG PHE A 35 1.737 22.990 -22.139 1.00 64.44 C ATOM 531 CD1 PHE A 35 2.205 22.442 -20.955 1.00 42.55 C ATOM 532 CD2 PHE A 35 2.589 23.043 -23.231 1.00 3.22 C ATOM 533 CE1 PHE A 35 3.497 21.960 -20.862 1.00 71.01 C ATOM 534 CE2 PHE A 35 3.882 22.562 -23.144 1.00 20.25 C ATOM 535 CZ PHE A 35 4.336 22.019 -21.958 1.00 31.53 C ATOM 0 H PHE A 35 -0.171 21.401 -23.421 1.00 63.30 H new ATOM 0 HA PHE A 35 -0.486 22.235 -20.718 1.00 2.02 H new ATOM 0 HB2 PHE A 35 0.121 23.769 -23.276 1.00 4.11 H new ATOM 0 HB3 PHE A 35 0.256 24.436 -21.662 1.00 4.11 H new ATOM 0 HD1 PHE A 35 1.553 22.391 -20.096 1.00 42.55 H new ATOM 0 HD2 PHE A 35 2.238 23.465 -24.161 1.00 3.22 H new ATOM 0 HE1 PHE A 35 3.850 21.537 -19.933 1.00 71.01 H new ATOM 0 HE2 PHE A 35 4.536 22.611 -24.002 1.00 20.25 H new ATOM 0 HZ PHE A 35 5.345 21.641 -21.887 1.00 31.53 H new ATOM 545 N VAL A 36 -2.818 23.031 -22.856 1.00 62.31 N ATOM 546 CA VAL A 36 -4.148 23.612 -22.993 1.00 20.14 C ATOM 547 C VAL A 36 -5.099 23.062 -21.936 1.00 31.32 C ATOM 548 O VAL A 36 -5.798 23.818 -21.262 1.00 40.03 O ATOM 549 CB VAL A 36 -4.738 23.341 -24.389 1.00 50.34 C ATOM 550 CG1 VAL A 36 -4.051 24.205 -25.436 1.00 10.20 C ATOM 551 CG2 VAL A 36 -4.618 21.866 -24.741 1.00 51.34 C ATOM 0 H VAL A 36 -2.501 22.506 -23.671 1.00 62.31 H new ATOM 0 HA VAL A 36 -4.039 24.688 -22.856 1.00 20.14 H new ATOM 0 HB VAL A 36 -5.796 23.602 -24.374 1.00 50.34 H new ATOM 0 HG11 VAL A 36 -4.481 24.000 -26.416 1.00 10.20 H new ATOM 0 HG12 VAL A 36 -4.194 25.257 -25.190 1.00 10.20 H new ATOM 0 HG13 VAL A 36 -2.985 23.978 -25.453 1.00 10.20 H new ATOM 0 HG21 VAL A 36 -5.040 21.693 -25.731 1.00 51.34 H new ATOM 0 HG22 VAL A 36 -3.567 21.576 -24.738 1.00 51.34 H new ATOM 0 HG23 VAL A 36 -5.161 21.271 -24.006 1.00 51.34 H new ATOM 561 N GLU A 37 -5.119 21.740 -21.796 1.00 74.23 N ATOM 562 CA GLU A 37 -5.986 21.089 -20.821 1.00 23.52 C ATOM 563 C GLU A 37 -5.338 21.078 -19.439 1.00 50.31 C ATOM 564 O GLU A 37 -5.906 21.585 -18.472 1.00 13.23 O ATOM 565 CB GLU A 37 -6.299 19.657 -21.260 1.00 32.32 C ATOM 566 CG GLU A 37 -6.895 19.564 -22.655 1.00 4.24 C ATOM 567 CD GLU A 37 -8.225 20.282 -22.770 1.00 12.23 C ATOM 568 OE1 GLU A 37 -9.075 20.105 -21.872 1.00 51.42 O ATOM 569 OE2 GLU A 37 -8.416 21.022 -23.758 1.00 70.41 O ATOM 0 H GLU A 37 -4.545 21.100 -22.345 1.00 74.23 H new ATOM 0 HA GLU A 37 -6.915 21.656 -20.764 1.00 23.52 H new ATOM 0 HB2 GLU A 37 -5.383 19.067 -21.225 1.00 32.32 H new ATOM 0 HB3 GLU A 37 -6.993 19.211 -20.547 1.00 32.32 H new ATOM 0 HG2 GLU A 37 -6.194 19.988 -23.374 1.00 4.24 H new ATOM 0 HG3 GLU A 37 -7.028 18.515 -22.920 1.00 4.24 H new ATOM 576 N ASP A 38 -4.146 20.497 -19.355 1.00 54.33 N ATOM 577 CA ASP A 38 -3.420 20.421 -18.093 1.00 71.20 C ATOM 578 C ASP A 38 -3.142 21.815 -17.541 1.00 11.34 C ATOM 579 O ASP A 38 -3.653 22.189 -16.484 1.00 41.50 O ATOM 580 CB ASP A 38 -2.106 19.662 -18.282 1.00 24.04 C ATOM 581 CG ASP A 38 -1.427 19.343 -16.964 1.00 1.31 C ATOM 582 OD1 ASP A 38 -1.272 20.267 -16.138 1.00 71.12 O ATOM 583 OD2 ASP A 38 -1.050 18.170 -16.759 1.00 2.32 O ATOM 0 H ASP A 38 -3.662 20.072 -20.146 1.00 54.33 H new ATOM 0 HA ASP A 38 -4.041 19.884 -17.376 1.00 71.20 H new ATOM 0 HB2 ASP A 38 -2.300 18.735 -18.821 1.00 24.04 H new ATOM 0 HB3 ASP A 38 -1.432 20.256 -18.900 1.00 24.04 H new ATOM 588 N LEU A 39 -2.329 22.580 -18.261 1.00 20.01 N ATOM 589 CA LEU A 39 -1.982 23.934 -17.843 1.00 24.33 C ATOM 590 C LEU A 39 -3.067 24.925 -18.251 1.00 2.03 C ATOM 591 O LEU A 39 -4.065 24.550 -18.864 1.00 31.22 O ATOM 592 CB LEU A 39 -0.641 24.349 -18.451 1.00 60.54 C ATOM 593 CG LEU A 39 0.607 23.948 -17.664 1.00 34.45 C ATOM 594 CD1 LEU A 39 1.865 24.346 -18.418 1.00 65.43 C ATOM 595 CD2 LEU A 39 0.590 24.580 -16.280 1.00 13.43 C ATOM 0 H LEU A 39 -1.898 22.286 -19.137 1.00 20.01 H new ATOM 0 HA LEU A 39 -1.899 23.942 -16.756 1.00 24.33 H new ATOM 0 HB2 LEU A 39 -0.569 23.919 -19.450 1.00 60.54 H new ATOM 0 HB3 LEU A 39 -0.639 25.433 -18.569 1.00 60.54 H new ATOM 0 HG LEU A 39 0.607 22.864 -17.547 1.00 34.45 H new ATOM 0 HD11 LEU A 39 2.743 24.052 -17.842 1.00 65.43 H new ATOM 0 HD12 LEU A 39 1.882 23.846 -19.386 1.00 65.43 H new ATOM 0 HD13 LEU A 39 1.874 25.426 -18.567 1.00 65.43 H new ATOM 0 HD21 LEU A 39 1.486 24.284 -15.734 1.00 13.43 H new ATOM 0 HD22 LEU A 39 0.566 25.665 -16.376 1.00 13.43 H new ATOM 0 HD23 LEU A 39 -0.294 24.244 -15.737 1.00 13.43 H new ATOM 607 N ASN A 40 -2.862 26.193 -17.908 1.00 33.34 N ATOM 608 CA ASN A 40 -3.823 27.239 -18.240 1.00 23.23 C ATOM 609 C ASN A 40 -3.214 28.248 -19.209 1.00 75.31 C ATOM 610 O ASN A 40 -3.530 29.436 -19.163 1.00 54.22 O ATOM 611 CB ASN A 40 -4.290 27.953 -16.970 1.00 31.32 C ATOM 612 CG ASN A 40 -3.148 28.618 -16.227 1.00 2.12 C ATOM 613 OD1 ASN A 40 -2.111 28.002 -15.980 1.00 44.45 O ATOM 614 ND2 ASN A 40 -3.334 29.882 -15.866 1.00 1.45 N ATOM 0 H ASN A 40 -2.040 26.521 -17.401 1.00 33.34 H new ATOM 0 HA ASN A 40 -4.681 26.770 -18.722 1.00 23.23 H new ATOM 0 HB2 ASN A 40 -5.035 28.704 -17.232 1.00 31.32 H new ATOM 0 HB3 ASN A 40 -4.779 27.235 -16.312 1.00 31.32 H new ATOM 0 HD21 ASN A 40 -2.601 30.382 -15.363 1.00 1.45 H new ATOM 0 HD22 ASN A 40 -4.210 30.353 -16.092 1.00 1.45 H new ATOM 621 N ALA A 41 -2.341 27.765 -20.086 1.00 63.33 N ATOM 622 CA ALA A 41 -1.690 28.623 -21.068 1.00 52.15 C ATOM 623 C ALA A 41 -1.300 27.834 -22.314 1.00 2.52 C ATOM 624 O ALA A 41 -1.080 26.625 -22.251 1.00 21.25 O ATOM 625 CB ALA A 41 -0.466 29.290 -20.458 1.00 73.13 C ATOM 0 H ALA A 41 -2.068 26.784 -20.137 1.00 63.33 H new ATOM 0 HA ALA A 41 -2.399 29.395 -21.366 1.00 52.15 H new ATOM 0 HB1 ALA A 41 0.010 29.928 -21.203 1.00 73.13 H new ATOM 0 HB2 ALA A 41 -0.769 29.895 -19.603 1.00 73.13 H new ATOM 0 HB3 ALA A 41 0.239 28.526 -20.130 1.00 73.13 H new ATOM 631 N ASP A 42 -1.216 28.527 -23.445 1.00 32.35 N ATOM 632 CA ASP A 42 -0.852 27.891 -24.705 1.00 62.33 C ATOM 633 C ASP A 42 0.659 27.702 -24.802 1.00 31.00 C ATOM 634 O ASP A 42 1.423 28.355 -24.091 1.00 72.10 O ATOM 635 CB ASP A 42 -1.350 28.726 -25.885 1.00 55.14 C ATOM 636 CG ASP A 42 -2.816 28.484 -26.187 1.00 53.35 C ATOM 637 OD1 ASP A 42 -3.225 27.305 -26.241 1.00 2.10 O ATOM 638 OD2 ASP A 42 -3.555 29.474 -26.370 1.00 12.14 O ATOM 0 H ASP A 42 -1.395 29.529 -23.514 1.00 32.35 H new ATOM 0 HA ASP A 42 -1.326 26.910 -24.738 1.00 62.33 H new ATOM 0 HB2 ASP A 42 -1.196 29.783 -25.669 1.00 55.14 H new ATOM 0 HB3 ASP A 42 -0.756 28.492 -26.769 1.00 55.14 H new ATOM 643 N SER A 43 1.083 26.804 -25.686 1.00 33.04 N ATOM 644 CA SER A 43 2.502 26.526 -25.872 1.00 31.51 C ATOM 645 C SER A 43 3.287 27.818 -26.073 1.00 62.04 C ATOM 646 O SER A 43 4.477 27.890 -25.765 1.00 25.43 O ATOM 647 CB SER A 43 2.708 25.598 -27.071 1.00 22.12 C ATOM 648 OG SER A 43 2.465 26.278 -28.290 1.00 13.22 O ATOM 0 H SER A 43 0.464 26.257 -26.284 1.00 33.04 H new ATOM 0 HA SER A 43 2.872 26.034 -24.973 1.00 31.51 H new ATOM 0 HB2 SER A 43 3.727 25.210 -27.064 1.00 22.12 H new ATOM 0 HB3 SER A 43 2.040 24.740 -26.990 1.00 22.12 H new ATOM 0 HG SER A 43 2.605 25.664 -29.041 1.00 13.22 H new ATOM 654 N LEU A 44 2.613 28.837 -26.593 1.00 53.53 N ATOM 655 CA LEU A 44 3.246 30.129 -26.837 1.00 33.01 C ATOM 656 C LEU A 44 3.903 30.661 -25.567 1.00 53.55 C ATOM 657 O LEU A 44 5.061 31.077 -25.584 1.00 4.23 O ATOM 658 CB LEU A 44 2.215 31.135 -27.352 1.00 42.21 C ATOM 659 CG LEU A 44 0.915 31.234 -26.553 1.00 25.24 C ATOM 660 CD1 LEU A 44 0.963 32.419 -25.600 1.00 60.44 C ATOM 661 CD2 LEU A 44 -0.279 31.347 -27.488 1.00 71.15 C ATOM 0 H LEU A 44 1.628 28.794 -26.854 1.00 53.53 H new ATOM 0 HA LEU A 44 4.019 29.991 -27.593 1.00 33.01 H new ATOM 0 HB2 LEU A 44 2.679 32.121 -27.375 1.00 42.21 H new ATOM 0 HB3 LEU A 44 1.966 30.875 -28.381 1.00 42.21 H new ATOM 0 HG LEU A 44 0.804 30.324 -25.963 1.00 25.24 H new ATOM 0 HD11 LEU A 44 0.029 32.474 -25.040 1.00 60.44 H new ATOM 0 HD12 LEU A 44 1.795 32.295 -24.907 1.00 60.44 H new ATOM 0 HD13 LEU A 44 1.099 33.339 -26.169 1.00 60.44 H new ATOM 0 HD21 LEU A 44 -1.195 31.416 -26.901 1.00 71.15 H new ATOM 0 HD22 LEU A 44 -0.175 32.239 -28.105 1.00 71.15 H new ATOM 0 HD23 LEU A 44 -0.324 30.466 -28.129 1.00 71.15 H new ATOM 673 N ASP A 45 3.156 30.644 -24.469 1.00 71.20 N ATOM 674 CA ASP A 45 3.667 31.122 -23.189 1.00 74.34 C ATOM 675 C ASP A 45 4.532 30.059 -22.519 1.00 13.34 C ATOM 676 O ASP A 45 5.380 30.373 -21.682 1.00 74.35 O ATOM 677 CB ASP A 45 2.510 31.512 -22.268 1.00 32.31 C ATOM 678 CG ASP A 45 2.920 31.551 -20.809 1.00 33.51 C ATOM 679 OD1 ASP A 45 2.871 30.490 -20.151 1.00 41.40 O ATOM 680 OD2 ASP A 45 3.288 32.641 -20.325 1.00 2.35 O ATOM 0 H ASP A 45 2.195 30.305 -24.439 1.00 71.20 H new ATOM 0 HA ASP A 45 4.284 32.001 -23.376 1.00 74.34 H new ATOM 0 HB2 ASP A 45 2.129 32.490 -22.562 1.00 32.31 H new ATOM 0 HB3 ASP A 45 1.693 30.801 -22.394 1.00 32.31 H new ATOM 685 N ILE A 46 4.311 28.803 -22.890 1.00 33.22 N ATOM 686 CA ILE A 46 5.070 27.695 -22.324 1.00 21.21 C ATOM 687 C ILE A 46 6.481 27.645 -22.900 1.00 22.34 C ATOM 688 O ILE A 46 7.411 27.166 -22.250 1.00 43.12 O ATOM 689 CB ILE A 46 4.374 26.345 -22.582 1.00 42.41 C ATOM 690 CG1 ILE A 46 2.953 26.363 -22.016 1.00 53.35 C ATOM 691 CG2 ILE A 46 5.179 25.209 -21.970 1.00 62.43 C ATOM 692 CD1 ILE A 46 2.902 26.534 -20.514 1.00 62.43 C ATOM 0 H ILE A 46 3.612 28.527 -23.580 1.00 33.22 H new ATOM 0 HA ILE A 46 5.124 27.866 -21.249 1.00 21.21 H new ATOM 0 HB ILE A 46 4.314 26.183 -23.658 1.00 42.41 H new ATOM 0 HG12 ILE A 46 2.394 27.173 -22.485 1.00 53.35 H new ATOM 0 HG13 ILE A 46 2.452 25.433 -22.285 1.00 53.35 H new ATOM 0 HG21 ILE A 46 4.675 24.262 -22.161 1.00 62.43 H new ATOM 0 HG22 ILE A 46 6.174 25.187 -22.416 1.00 62.43 H new ATOM 0 HG23 ILE A 46 5.267 25.363 -20.895 1.00 62.43 H new ATOM 0 HD11 ILE A 46 1.863 26.538 -20.183 1.00 62.43 H new ATOM 0 HD12 ILE A 46 3.432 25.710 -20.036 1.00 62.43 H new ATOM 0 HD13 ILE A 46 3.374 27.477 -20.239 1.00 62.43 H new ATOM 704 N TYR A 47 6.634 28.143 -24.121 1.00 53.43 N ATOM 705 CA TYR A 47 7.932 28.155 -24.786 1.00 14.24 C ATOM 706 C TYR A 47 9.008 28.729 -23.869 1.00 15.42 C ATOM 707 O TYR A 47 10.120 28.209 -23.799 1.00 45.22 O ATOM 708 CB TYR A 47 7.859 28.970 -26.078 1.00 41.10 C ATOM 709 CG TYR A 47 9.199 29.153 -26.755 1.00 31.34 C ATOM 710 CD1 TYR A 47 10.044 30.195 -26.396 1.00 4.13 C ATOM 711 CD2 TYR A 47 9.620 28.282 -27.752 1.00 74.05 C ATOM 712 CE1 TYR A 47 11.269 30.366 -27.012 1.00 11.02 C ATOM 713 CE2 TYR A 47 10.843 28.444 -28.373 1.00 41.40 C ATOM 714 CZ TYR A 47 11.664 29.488 -28.000 1.00 11.14 C ATOM 715 OH TYR A 47 12.884 29.654 -28.615 1.00 14.22 O ATOM 0 H TYR A 47 5.875 28.544 -24.672 1.00 53.43 H new ATOM 0 HA TYR A 47 8.198 27.126 -25.028 1.00 14.24 H new ATOM 0 HB2 TYR A 47 7.176 28.478 -26.770 1.00 41.10 H new ATOM 0 HB3 TYR A 47 7.437 29.950 -25.856 1.00 41.10 H new ATOM 0 HD1 TYR A 47 9.738 30.884 -25.622 1.00 4.13 H new ATOM 0 HD2 TYR A 47 8.980 27.464 -28.047 1.00 74.05 H new ATOM 0 HE1 TYR A 47 11.914 31.182 -26.722 1.00 11.02 H new ATOM 0 HE2 TYR A 47 11.155 27.757 -29.146 1.00 41.40 H new ATOM 0 HH TYR A 47 13.010 28.951 -29.286 1.00 14.22 H new ATOM 725 N GLU A 48 8.665 29.805 -23.167 1.00 3.30 N ATOM 726 CA GLU A 48 9.602 30.451 -22.254 1.00 74.33 C ATOM 727 C GLU A 48 9.825 29.596 -21.010 1.00 11.32 C ATOM 728 O GLU A 48 10.938 29.517 -20.489 1.00 23.40 O ATOM 729 CB GLU A 48 9.084 31.833 -21.851 1.00 44.22 C ATOM 730 CG GLU A 48 9.385 32.917 -22.872 1.00 43.34 C ATOM 731 CD GLU A 48 9.374 34.308 -22.268 1.00 32.23 C ATOM 732 OE1 GLU A 48 9.063 34.430 -21.065 1.00 34.34 O ATOM 733 OE2 GLU A 48 9.676 35.274 -22.998 1.00 45.35 O ATOM 0 H GLU A 48 7.747 30.247 -23.213 1.00 3.30 H new ATOM 0 HA GLU A 48 10.555 30.565 -22.771 1.00 74.33 H new ATOM 0 HB2 GLU A 48 8.006 31.778 -21.699 1.00 44.22 H new ATOM 0 HB3 GLU A 48 9.526 32.113 -20.895 1.00 44.22 H new ATOM 0 HG2 GLU A 48 10.360 32.728 -23.320 1.00 43.34 H new ATOM 0 HG3 GLU A 48 8.650 32.868 -23.675 1.00 43.34 H new ATOM 740 N LEU A 49 8.759 28.960 -20.538 1.00 31.43 N ATOM 741 CA LEU A 49 8.837 28.111 -19.354 1.00 33.22 C ATOM 742 C LEU A 49 9.881 27.014 -19.538 1.00 34.02 C ATOM 743 O LEU A 49 10.844 26.925 -18.776 1.00 21.35 O ATOM 744 CB LEU A 49 7.472 27.487 -19.059 1.00 15.14 C ATOM 745 CG LEU A 49 7.127 27.295 -17.581 1.00 72.34 C ATOM 746 CD1 LEU A 49 5.623 27.379 -17.369 1.00 3.03 C ATOM 747 CD2 LEU A 49 7.665 25.963 -17.077 1.00 53.52 C ATOM 0 H LEU A 49 7.831 29.016 -20.957 1.00 31.43 H new ATOM 0 HA LEU A 49 9.135 28.733 -18.510 1.00 33.22 H new ATOM 0 HB2 LEU A 49 6.703 28.112 -19.513 1.00 15.14 H new ATOM 0 HB3 LEU A 49 7.425 26.516 -19.552 1.00 15.14 H new ATOM 0 HG LEU A 49 7.599 28.095 -17.010 1.00 72.34 H new ATOM 0 HD11 LEU A 49 5.396 27.240 -16.312 1.00 3.03 H new ATOM 0 HD12 LEU A 49 5.264 28.356 -17.692 1.00 3.03 H new ATOM 0 HD13 LEU A 49 5.129 26.601 -17.951 1.00 3.03 H new ATOM 0 HD21 LEU A 49 7.411 25.843 -16.024 1.00 53.52 H new ATOM 0 HD22 LEU A 49 7.222 25.150 -17.652 1.00 53.52 H new ATOM 0 HD23 LEU A 49 8.749 25.941 -17.193 1.00 53.52 H new ATOM 759 N LEU A 50 9.684 26.182 -20.555 1.00 2.32 N ATOM 760 CA LEU A 50 10.610 25.092 -20.841 1.00 71.22 C ATOM 761 C LEU A 50 11.985 25.631 -21.222 1.00 22.22 C ATOM 762 O LEU A 50 13.011 25.071 -20.836 1.00 24.52 O ATOM 763 CB LEU A 50 10.063 24.215 -21.969 1.00 41.33 C ATOM 764 CG LEU A 50 9.484 24.957 -23.175 1.00 32.43 C ATOM 765 CD1 LEU A 50 10.299 24.662 -24.424 1.00 54.25 C ATOM 766 CD2 LEU A 50 8.025 24.576 -23.385 1.00 25.15 C ATOM 0 H LEU A 50 8.892 26.241 -21.195 1.00 2.32 H new ATOM 0 HA LEU A 50 10.714 24.490 -19.938 1.00 71.22 H new ATOM 0 HB2 LEU A 50 10.865 23.565 -22.318 1.00 41.33 H new ATOM 0 HB3 LEU A 50 9.287 23.570 -21.557 1.00 41.33 H new ATOM 0 HG LEU A 50 9.534 26.028 -22.978 1.00 32.43 H new ATOM 0 HD11 LEU A 50 9.873 25.198 -25.272 1.00 54.25 H new ATOM 0 HD12 LEU A 50 11.329 24.985 -24.271 1.00 54.25 H new ATOM 0 HD13 LEU A 50 10.281 23.591 -24.626 1.00 54.25 H new ATOM 0 HD21 LEU A 50 7.629 25.113 -24.247 1.00 25.15 H new ATOM 0 HD22 LEU A 50 7.951 23.503 -23.561 1.00 25.15 H new ATOM 0 HD23 LEU A 50 7.449 24.839 -22.498 1.00 25.15 H new ATOM 778 N TYR A 51 11.998 26.722 -21.979 1.00 2.21 N ATOM 779 CA TYR A 51 13.247 27.337 -22.412 1.00 3.22 C ATOM 780 C TYR A 51 14.045 27.850 -21.217 1.00 22.53 C ATOM 781 O TYR A 51 15.277 27.873 -21.241 1.00 35.43 O ATOM 782 CB TYR A 51 12.965 28.486 -23.381 1.00 42.23 C ATOM 783 CG TYR A 51 14.141 29.417 -23.575 1.00 52.13 C ATOM 784 CD1 TYR A 51 15.392 28.924 -23.925 1.00 0.02 C ATOM 785 CD2 TYR A 51 14.001 30.789 -23.408 1.00 52.34 C ATOM 786 CE1 TYR A 51 16.469 29.771 -24.102 1.00 62.55 C ATOM 787 CE2 TYR A 51 15.072 31.643 -23.586 1.00 10.35 C ATOM 788 CZ TYR A 51 16.304 31.129 -23.932 1.00 41.33 C ATOM 789 OH TYR A 51 17.374 31.977 -24.108 1.00 70.42 O ATOM 0 H TYR A 51 11.158 27.199 -22.306 1.00 2.21 H new ATOM 0 HA TYR A 51 13.839 26.577 -22.922 1.00 3.22 H new ATOM 0 HB2 TYR A 51 12.676 28.073 -24.347 1.00 42.23 H new ATOM 0 HB3 TYR A 51 12.115 29.060 -23.013 1.00 42.23 H new ATOM 0 HD1 TYR A 51 15.525 27.861 -24.061 1.00 0.02 H new ATOM 0 HD2 TYR A 51 13.038 31.195 -23.134 1.00 52.34 H new ATOM 0 HE1 TYR A 51 17.435 29.371 -24.372 1.00 62.55 H new ATOM 0 HE2 TYR A 51 14.945 32.707 -23.455 1.00 10.35 H new ATOM 0 HH TYR A 51 17.088 32.901 -23.952 1.00 70.42 H new ATOM 799 N LEU A 52 13.335 28.259 -20.171 1.00 51.15 N ATOM 800 CA LEU A 52 13.975 28.771 -18.965 1.00 0.13 C ATOM 801 C LEU A 52 14.568 27.634 -18.139 1.00 10.13 C ATOM 802 O LEU A 52 15.766 27.620 -17.851 1.00 54.40 O ATOM 803 CB LEU A 52 12.967 29.556 -18.123 1.00 45.42 C ATOM 804 CG LEU A 52 13.055 31.080 -18.221 1.00 34.13 C ATOM 805 CD1 LEU A 52 12.857 31.535 -19.658 1.00 62.03 C ATOM 806 CD2 LEU A 52 12.027 31.732 -17.307 1.00 3.30 C ATOM 0 H LEU A 52 12.316 28.246 -20.134 1.00 51.15 H new ATOM 0 HA LEU A 52 14.784 29.437 -19.267 1.00 0.13 H new ATOM 0 HB2 LEU A 52 11.963 29.250 -18.416 1.00 45.42 H new ATOM 0 HB3 LEU A 52 13.095 29.271 -17.079 1.00 45.42 H new ATOM 0 HG LEU A 52 14.049 31.389 -17.898 1.00 34.13 H new ATOM 0 HD11 LEU A 52 12.923 32.622 -19.708 1.00 62.03 H new ATOM 0 HD12 LEU A 52 13.630 31.095 -20.289 1.00 62.03 H new ATOM 0 HD13 LEU A 52 11.876 31.215 -20.009 1.00 62.03 H new ATOM 0 HD21 LEU A 52 12.103 32.816 -17.389 1.00 3.30 H new ATOM 0 HD22 LEU A 52 11.026 31.415 -17.601 1.00 3.30 H new ATOM 0 HD23 LEU A 52 12.215 31.432 -16.276 1.00 3.30 H new ATOM 818 N LEU A 53 13.723 26.681 -17.762 1.00 22.24 N ATOM 819 CA LEU A 53 14.164 25.537 -16.970 1.00 53.23 C ATOM 820 C LEU A 53 15.262 24.765 -17.694 1.00 72.32 C ATOM 821 O LEU A 53 16.308 24.468 -17.118 1.00 35.33 O ATOM 822 CB LEU A 53 12.983 24.611 -16.675 1.00 13.12 C ATOM 823 CG LEU A 53 12.074 24.283 -17.860 1.00 63.22 C ATOM 824 CD1 LEU A 53 12.461 22.946 -18.475 1.00 14.43 C ATOM 825 CD2 LEU A 53 10.616 24.271 -17.427 1.00 74.10 C ATOM 0 H LEU A 53 12.729 26.677 -17.991 1.00 22.24 H new ATOM 0 HA LEU A 53 14.568 25.911 -16.029 1.00 53.23 H new ATOM 0 HB2 LEU A 53 13.372 23.676 -16.272 1.00 13.12 H new ATOM 0 HB3 LEU A 53 12.376 25.067 -15.893 1.00 13.12 H new ATOM 0 HG LEU A 53 12.201 25.058 -18.616 1.00 63.22 H new ATOM 0 HD11 LEU A 53 11.804 22.729 -19.317 1.00 14.43 H new ATOM 0 HD12 LEU A 53 13.493 22.991 -18.823 1.00 14.43 H new ATOM 0 HD13 LEU A 53 12.364 22.160 -17.727 1.00 14.43 H new ATOM 0 HD21 LEU A 53 9.984 24.036 -18.283 1.00 74.10 H new ATOM 0 HD22 LEU A 53 10.473 23.518 -16.652 1.00 74.10 H new ATOM 0 HD23 LEU A 53 10.345 25.251 -17.034 1.00 74.10 H new ATOM 837 N GLU A 54 15.017 24.445 -18.961 1.00 35.41 N ATOM 838 CA GLU A 54 15.986 23.708 -19.763 1.00 71.14 C ATOM 839 C GLU A 54 17.357 24.375 -19.707 1.00 64.53 C ATOM 840 O GLU A 54 18.387 23.708 -19.812 1.00 13.52 O ATOM 841 CB GLU A 54 15.512 23.612 -21.215 1.00 40.52 C ATOM 842 CG GLU A 54 15.737 24.885 -22.014 1.00 2.32 C ATOM 843 CD GLU A 54 15.509 24.690 -23.500 1.00 71.40 C ATOM 844 OE1 GLU A 54 14.334 24.613 -23.915 1.00 51.34 O ATOM 845 OE2 GLU A 54 16.506 24.613 -24.248 1.00 4.12 O ATOM 0 H GLU A 54 14.156 24.684 -19.453 1.00 35.41 H new ATOM 0 HA GLU A 54 16.073 22.703 -19.350 1.00 71.14 H new ATOM 0 HB2 GLU A 54 16.032 22.789 -21.705 1.00 40.52 H new ATOM 0 HB3 GLU A 54 14.450 23.369 -21.226 1.00 40.52 H new ATOM 0 HG2 GLU A 54 15.068 25.663 -21.647 1.00 2.32 H new ATOM 0 HG3 GLU A 54 16.755 25.237 -21.850 1.00 2.32 H new ATOM 852 N GLU A 55 17.361 25.694 -19.542 1.00 65.42 N ATOM 853 CA GLU A 55 18.606 26.450 -19.474 1.00 0.42 C ATOM 854 C GLU A 55 19.283 26.262 -18.119 1.00 43.43 C ATOM 855 O GLU A 55 20.510 26.252 -18.023 1.00 61.21 O ATOM 856 CB GLU A 55 18.339 27.937 -19.721 1.00 64.41 C ATOM 857 CG GLU A 55 19.604 28.769 -19.849 1.00 22.10 C ATOM 858 CD GLU A 55 19.402 30.012 -20.694 1.00 33.23 C ATOM 859 OE1 GLU A 55 18.685 30.928 -20.240 1.00 71.00 O ATOM 860 OE2 GLU A 55 19.961 30.068 -21.809 1.00 70.21 O ATOM 0 H GLU A 55 16.517 26.260 -19.453 1.00 65.42 H new ATOM 0 HA GLU A 55 19.273 26.074 -20.250 1.00 0.42 H new ATOM 0 HB2 GLU A 55 17.749 28.045 -20.631 1.00 64.41 H new ATOM 0 HB3 GLU A 55 17.737 28.330 -18.902 1.00 64.41 H new ATOM 0 HG2 GLU A 55 19.944 29.061 -18.856 1.00 22.10 H new ATOM 0 HG3 GLU A 55 20.393 28.159 -20.290 1.00 22.10 H new ATOM 867 N ALA A 56 18.474 26.115 -17.075 1.00 64.03 N ATOM 868 CA ALA A 56 18.994 25.926 -15.727 1.00 3.13 C ATOM 869 C ALA A 56 19.618 24.544 -15.567 1.00 71.44 C ATOM 870 O ALA A 56 20.422 24.315 -14.663 1.00 72.44 O ATOM 871 CB ALA A 56 17.889 26.130 -14.701 1.00 73.35 C ATOM 0 H ALA A 56 17.456 26.123 -17.137 1.00 64.03 H new ATOM 0 HA ALA A 56 19.773 26.669 -15.558 1.00 3.13 H new ATOM 0 HB1 ALA A 56 18.292 25.986 -13.699 1.00 73.35 H new ATOM 0 HB2 ALA A 56 17.492 27.141 -14.790 1.00 73.35 H new ATOM 0 HB3 ALA A 56 17.090 25.410 -14.878 1.00 73.35 H new ATOM 877 N PHE A 57 19.242 23.625 -16.451 1.00 20.33 N ATOM 878 CA PHE A 57 19.764 22.264 -16.407 1.00 35.42 C ATOM 879 C PHE A 57 20.822 22.052 -17.485 1.00 70.33 C ATOM 880 O PHE A 57 21.289 20.933 -17.701 1.00 11.04 O ATOM 881 CB PHE A 57 18.628 21.254 -16.585 1.00 70.34 C ATOM 882 CG PHE A 57 17.391 21.599 -15.807 1.00 55.34 C ATOM 883 CD1 PHE A 57 17.482 22.070 -14.507 1.00 65.23 C ATOM 884 CD2 PHE A 57 16.136 21.454 -16.376 1.00 55.42 C ATOM 885 CE1 PHE A 57 16.345 22.388 -13.789 1.00 63.31 C ATOM 886 CE2 PHE A 57 14.995 21.771 -15.663 1.00 13.21 C ATOM 887 CZ PHE A 57 15.100 22.239 -14.368 1.00 0.41 C ATOM 0 H PHE A 57 18.578 23.798 -17.206 1.00 20.33 H new ATOM 0 HA PHE A 57 20.228 22.111 -15.433 1.00 35.42 H new ATOM 0 HB2 PHE A 57 18.375 21.187 -17.643 1.00 70.34 H new ATOM 0 HB3 PHE A 57 18.978 20.268 -16.278 1.00 70.34 H new ATOM 0 HD1 PHE A 57 18.453 22.190 -14.050 1.00 65.23 H new ATOM 0 HD2 PHE A 57 16.048 21.089 -17.389 1.00 55.42 H new ATOM 0 HE1 PHE A 57 16.430 22.753 -12.776 1.00 63.31 H new ATOM 0 HE2 PHE A 57 14.023 21.653 -16.118 1.00 13.21 H new ATOM 0 HZ PHE A 57 14.210 22.488 -13.809 1.00 0.41 H new ATOM 897 N ASP A 58 21.195 23.133 -18.160 1.00 41.41 N ATOM 898 CA ASP A 58 22.199 23.068 -19.216 1.00 75.52 C ATOM 899 C ASP A 58 21.867 21.961 -20.213 1.00 14.31 C ATOM 900 O ASP A 58 22.638 21.018 -20.388 1.00 31.22 O ATOM 901 CB ASP A 58 23.586 22.832 -18.617 1.00 32.31 C ATOM 902 CG ASP A 58 24.700 23.292 -19.536 1.00 53.34 C ATOM 903 OD1 ASP A 58 24.390 23.802 -20.633 1.00 41.42 O ATOM 904 OD2 ASP A 58 25.881 23.142 -19.160 1.00 30.04 O ATOM 0 H ASP A 58 20.817 24.066 -17.995 1.00 41.41 H new ATOM 0 HA ASP A 58 22.198 24.022 -19.744 1.00 75.52 H new ATOM 0 HB2 ASP A 58 23.662 23.360 -17.666 1.00 32.31 H new ATOM 0 HB3 ASP A 58 23.710 21.770 -18.403 1.00 32.31 H new ATOM 909 N ASP A 59 20.714 22.084 -20.862 1.00 64.35 N ATOM 910 CA ASP A 59 20.280 21.094 -21.842 1.00 10.42 C ATOM 911 C ASP A 59 19.137 21.638 -22.694 1.00 3.34 C ATOM 912 O ASP A 59 18.209 22.264 -22.181 1.00 21.24 O ATOM 913 CB ASP A 59 19.842 19.808 -21.139 1.00 54.43 C ATOM 914 CG ASP A 59 20.939 18.763 -21.108 1.00 30.12 C ATOM 915 OD1 ASP A 59 21.642 18.610 -22.128 1.00 52.34 O ATOM 916 OD2 ASP A 59 21.094 18.097 -20.063 1.00 24.42 O ATOM 0 H ASP A 59 20.064 22.858 -20.728 1.00 64.35 H new ATOM 0 HA ASP A 59 21.123 20.872 -22.496 1.00 10.42 H new ATOM 0 HB2 ASP A 59 19.537 20.041 -20.119 1.00 54.43 H new ATOM 0 HB3 ASP A 59 18.969 19.399 -21.647 1.00 54.43 H new ATOM 921 N LYS A 60 19.212 21.397 -23.998 1.00 73.21 N ATOM 922 CA LYS A 60 18.184 21.862 -24.923 1.00 24.45 C ATOM 923 C LYS A 60 16.937 20.988 -24.834 1.00 64.33 C ATOM 924 O LYS A 60 17.031 19.771 -24.673 1.00 25.42 O ATOM 925 CB LYS A 60 18.721 21.860 -26.356 1.00 13.21 C ATOM 926 CG LYS A 60 19.156 23.231 -26.844 1.00 2.23 C ATOM 927 CD LYS A 60 18.199 23.781 -27.888 1.00 44.21 C ATOM 928 CE LYS A 60 17.442 24.993 -27.367 1.00 43.21 C ATOM 929 NZ LYS A 60 18.363 26.094 -26.969 1.00 63.43 N ATOM 0 H LYS A 60 19.974 20.882 -24.439 1.00 73.21 H new ATOM 0 HA LYS A 60 17.913 22.880 -24.645 1.00 24.45 H new ATOM 0 HB2 LYS A 60 19.568 21.176 -26.417 1.00 13.21 H new ATOM 0 HB3 LYS A 60 17.951 21.474 -27.023 1.00 13.21 H new ATOM 0 HG2 LYS A 60 19.209 23.919 -26.000 1.00 2.23 H new ATOM 0 HG3 LYS A 60 20.159 23.167 -27.266 1.00 2.23 H new ATOM 0 HD2 LYS A 60 18.755 24.056 -28.784 1.00 44.21 H new ATOM 0 HD3 LYS A 60 17.490 23.005 -28.178 1.00 44.21 H new ATOM 0 HE2 LYS A 60 16.758 25.352 -28.136 1.00 43.21 H new ATOM 0 HE3 LYS A 60 16.834 24.701 -26.511 1.00 43.21 H new ATOM 0 HZ1 LYS A 60 17.884 27.009 -27.093 1.00 63.43 H new ATOM 0 HZ2 LYS A 60 18.634 25.977 -25.972 1.00 63.43 H new ATOM 0 HZ3 LYS A 60 19.215 26.066 -27.565 1.00 63.43 H new ATOM 943 N ILE A 61 15.772 21.616 -24.943 1.00 35.33 N ATOM 944 CA ILE A 61 14.507 20.894 -24.878 1.00 13.14 C ATOM 945 C ILE A 61 14.286 20.058 -26.134 1.00 14.04 C ATOM 946 O ILE A 61 14.091 18.844 -26.075 1.00 32.22 O ATOM 947 CB ILE A 61 13.318 21.857 -24.699 1.00 72.34 C ATOM 948 CG1 ILE A 61 13.089 22.150 -23.215 1.00 73.33 C ATOM 949 CG2 ILE A 61 12.063 21.271 -25.329 1.00 70.22 C ATOM 950 CD1 ILE A 61 12.187 21.145 -22.533 1.00 53.03 C ATOM 0 H ILE A 61 15.677 22.623 -25.077 1.00 35.33 H new ATOM 0 HA ILE A 61 14.564 20.235 -24.012 1.00 13.14 H new ATOM 0 HB ILE A 61 13.550 22.795 -25.203 1.00 72.34 H new ATOM 0 HG12 ILE A 61 14.051 22.168 -22.704 1.00 73.33 H new ATOM 0 HG13 ILE A 61 12.655 23.144 -23.112 1.00 73.33 H new ATOM 0 HG21 ILE A 61 11.231 21.963 -25.195 1.00 70.22 H new ATOM 0 HG22 ILE A 61 12.232 21.109 -26.394 1.00 70.22 H new ATOM 0 HG23 ILE A 61 11.826 20.321 -24.851 1.00 70.22 H new ATOM 0 HD11 ILE A 61 12.069 21.415 -21.484 1.00 53.03 H new ATOM 0 HD12 ILE A 61 11.211 21.143 -23.019 1.00 53.03 H new ATOM 0 HD13 ILE A 61 12.630 20.152 -22.604 1.00 53.03 H new ATOM 962 N PRO A 62 14.318 20.721 -27.299 1.00 51.20 N ATOM 963 CA PRO A 62 14.125 20.059 -28.592 1.00 64.44 C ATOM 964 C PRO A 62 15.298 19.156 -28.961 1.00 75.24 C ATOM 965 O PRO A 62 15.271 18.477 -29.988 1.00 15.44 O ATOM 966 CB PRO A 62 14.019 21.226 -29.577 1.00 1.03 C ATOM 967 CG PRO A 62 14.758 22.342 -28.922 1.00 65.34 C ATOM 968 CD PRO A 62 14.545 22.169 -27.444 1.00 23.20 C ATOM 0 HA PRO A 62 13.252 19.406 -28.589 1.00 64.44 H new ATOM 0 HB2 PRO A 62 14.459 20.972 -30.541 1.00 1.03 H new ATOM 0 HB3 PRO A 62 12.979 21.495 -29.762 1.00 1.03 H new ATOM 0 HG2 PRO A 62 15.819 22.306 -29.170 1.00 65.34 H new ATOM 0 HG3 PRO A 62 14.384 23.309 -29.260 1.00 65.34 H new ATOM 0 HD2 PRO A 62 15.412 22.499 -26.872 1.00 23.20 H new ATOM 0 HD3 PRO A 62 13.691 22.747 -27.091 1.00 23.20 H new ATOM 976 N GLU A 63 16.325 19.153 -28.118 1.00 32.45 N ATOM 977 CA GLU A 63 17.507 18.333 -28.357 1.00 35.42 C ATOM 978 C GLU A 63 17.597 17.198 -27.340 1.00 14.31 C ATOM 979 O GLU A 63 17.490 16.025 -27.693 1.00 22.43 O ATOM 980 CB GLU A 63 18.772 19.191 -28.293 1.00 74.12 C ATOM 981 CG GLU A 63 18.726 20.410 -29.199 1.00 64.33 C ATOM 982 CD GLU A 63 18.629 20.042 -30.667 1.00 53.12 C ATOM 983 OE1 GLU A 63 18.854 18.859 -30.998 1.00 43.11 O ATOM 984 OE2 GLU A 63 18.327 20.936 -31.485 1.00 2.54 O ATOM 0 H GLU A 63 16.363 19.709 -27.264 1.00 32.45 H new ATOM 0 HA GLU A 63 17.421 17.899 -29.353 1.00 35.42 H new ATOM 0 HB2 GLU A 63 18.927 19.518 -27.265 1.00 74.12 H new ATOM 0 HB3 GLU A 63 19.631 18.578 -28.566 1.00 74.12 H new ATOM 0 HG2 GLU A 63 17.871 21.029 -28.926 1.00 64.33 H new ATOM 0 HG3 GLU A 63 19.620 21.012 -29.037 1.00 64.33 H new ATOM 991 N ASN A 64 17.794 17.559 -26.076 1.00 61.10 N ATOM 992 CA ASN A 64 17.900 16.572 -25.007 1.00 51.13 C ATOM 993 C ASN A 64 16.535 15.973 -24.683 1.00 13.54 C ATOM 994 O ASN A 64 16.324 14.770 -24.829 1.00 14.11 O ATOM 995 CB ASN A 64 18.501 17.210 -23.753 1.00 52.33 C ATOM 996 CG ASN A 64 19.327 16.229 -22.944 1.00 74.12 C ATOM 997 OD1 ASN A 64 20.557 16.267 -22.969 1.00 51.23 O ATOM 998 ND2 ASN A 64 18.652 15.343 -22.221 1.00 74.13 N ATOM 0 H ASN A 64 17.883 18.527 -25.767 1.00 61.10 H new ATOM 0 HA ASN A 64 18.556 15.772 -25.349 1.00 51.13 H new ATOM 0 HB2 ASN A 64 19.126 18.055 -24.042 1.00 52.33 H new ATOM 0 HB3 ASN A 64 17.699 17.606 -23.130 1.00 52.33 H new ATOM 0 HD21 ASN A 64 19.153 14.657 -21.656 1.00 74.13 H new ATOM 0 HD22 ASN A 64 17.632 15.348 -22.230 1.00 74.13 H new ATOM 1005 N GLU A 65 15.612 16.823 -24.242 1.00 32.32 N ATOM 1006 CA GLU A 65 14.267 16.377 -23.896 1.00 61.14 C ATOM 1007 C GLU A 65 13.586 15.724 -25.095 1.00 74.34 C ATOM 1008 O GLU A 65 12.681 14.904 -24.938 1.00 40.43 O ATOM 1009 CB GLU A 65 13.427 17.555 -23.398 1.00 25.11 C ATOM 1010 CG GLU A 65 13.529 17.784 -21.899 1.00 71.42 C ATOM 1011 CD GLU A 65 14.675 18.704 -21.526 1.00 14.13 C ATOM 1012 OE1 GLU A 65 15.838 18.255 -21.578 1.00 25.12 O ATOM 1013 OE2 GLU A 65 14.406 19.874 -21.181 1.00 45.35 O ATOM 0 H GLU A 65 15.771 17.823 -24.116 1.00 32.32 H new ATOM 0 HA GLU A 65 14.351 15.638 -23.100 1.00 61.14 H new ATOM 0 HB2 GLU A 65 13.741 18.460 -23.918 1.00 25.11 H new ATOM 0 HB3 GLU A 65 12.383 17.383 -23.661 1.00 25.11 H new ATOM 0 HG2 GLU A 65 12.594 18.209 -21.536 1.00 71.42 H new ATOM 0 HG3 GLU A 65 13.659 16.825 -21.397 1.00 71.42 H new ATOM 1020 N ALA A 66 14.027 16.094 -26.293 1.00 71.32 N ATOM 1021 CA ALA A 66 13.461 15.544 -27.519 1.00 24.41 C ATOM 1022 C ALA A 66 13.687 14.038 -27.600 1.00 32.41 C ATOM 1023 O ALA A 66 13.056 13.349 -28.401 1.00 24.54 O ATOM 1024 CB ALA A 66 14.062 16.235 -28.734 1.00 10.21 C ATOM 0 H ALA A 66 14.774 16.772 -26.441 1.00 71.32 H new ATOM 0 HA ALA A 66 12.386 15.724 -27.506 1.00 24.41 H new ATOM 0 HB1 ALA A 66 13.630 15.814 -29.642 1.00 10.21 H new ATOM 0 HB2 ALA A 66 13.845 17.302 -28.690 1.00 10.21 H new ATOM 0 HB3 ALA A 66 15.141 16.084 -28.742 1.00 10.21 H new ATOM 1030 N ASN A 67 14.590 13.533 -26.766 1.00 5.52 N ATOM 1031 CA ASN A 67 14.900 12.108 -26.744 1.00 52.44 C ATOM 1032 C ASN A 67 13.637 11.281 -26.528 1.00 34.33 C ATOM 1033 O ASN A 67 13.551 10.135 -26.969 1.00 13.23 O ATOM 1034 CB ASN A 67 15.918 11.803 -25.644 1.00 62.21 C ATOM 1035 CG ASN A 67 15.275 11.692 -24.275 1.00 73.14 C ATOM 1036 OD1 ASN A 67 15.307 10.634 -23.646 1.00 11.41 O ATOM 1037 ND2 ASN A 67 14.686 12.787 -23.808 1.00 74.43 N ATOM 0 H ASN A 67 15.120 14.090 -26.096 1.00 5.52 H new ATOM 0 HA ASN A 67 15.328 11.839 -27.710 1.00 52.44 H new ATOM 0 HB2 ASN A 67 16.432 10.871 -25.877 1.00 62.21 H new ATOM 0 HB3 ASN A 67 16.674 12.588 -25.625 1.00 62.21 H new ATOM 0 HD21 ASN A 67 14.236 12.773 -22.893 1.00 74.43 H new ATOM 0 HD22 ASN A 67 14.684 13.642 -24.364 1.00 74.43 H new ATOM 1044 N GLU A 68 12.659 11.870 -25.846 1.00 40.13 N ATOM 1045 CA GLU A 68 11.401 11.187 -25.571 1.00 73.44 C ATOM 1046 C GLU A 68 10.316 12.183 -25.172 1.00 2.01 C ATOM 1047 O GLU A 68 9.546 11.940 -24.243 1.00 32.12 O ATOM 1048 CB GLU A 68 11.590 10.150 -24.462 1.00 74.31 C ATOM 1049 CG GLU A 68 10.858 8.843 -24.719 1.00 15.30 C ATOM 1050 CD GLU A 68 11.465 8.048 -25.859 1.00 11.54 C ATOM 1051 OE1 GLU A 68 12.704 7.900 -25.885 1.00 4.22 O ATOM 1052 OE2 GLU A 68 10.700 7.574 -26.724 1.00 54.54 O ATOM 0 H GLU A 68 12.714 12.818 -25.474 1.00 40.13 H new ATOM 0 HA GLU A 68 11.086 10.680 -26.483 1.00 73.44 H new ATOM 0 HB2 GLU A 68 12.654 9.944 -24.346 1.00 74.31 H new ATOM 0 HB3 GLU A 68 11.243 10.572 -23.519 1.00 74.31 H new ATOM 0 HG2 GLU A 68 10.872 8.239 -23.812 1.00 15.30 H new ATOM 0 HG3 GLU A 68 9.813 9.055 -24.945 1.00 15.30 H new ATOM 1059 N PHE A 69 10.263 13.306 -25.880 1.00 40.22 N ATOM 1060 CA PHE A 69 9.275 14.341 -25.599 1.00 53.05 C ATOM 1061 C PHE A 69 8.021 14.140 -26.446 1.00 21.10 C ATOM 1062 O PHE A 69 8.087 13.608 -27.554 1.00 1.14 O ATOM 1063 CB PHE A 69 9.866 15.727 -25.865 1.00 64.24 C ATOM 1064 CG PHE A 69 9.781 16.651 -24.685 1.00 5.52 C ATOM 1065 CD1 PHE A 69 10.012 16.182 -23.402 1.00 64.30 C ATOM 1066 CD2 PHE A 69 9.470 17.990 -24.858 1.00 2.50 C ATOM 1067 CE1 PHE A 69 9.935 17.030 -22.313 1.00 64.05 C ATOM 1068 CE2 PHE A 69 9.392 18.844 -23.773 1.00 62.54 C ATOM 1069 CZ PHE A 69 9.624 18.363 -22.500 1.00 31.55 C ATOM 0 H PHE A 69 10.893 13.523 -26.653 1.00 40.22 H new ATOM 0 HA PHE A 69 8.998 14.267 -24.547 1.00 53.05 H new ATOM 0 HB2 PHE A 69 10.911 15.618 -26.156 1.00 64.24 H new ATOM 0 HB3 PHE A 69 9.345 16.179 -26.709 1.00 64.24 H new ATOM 0 HD1 PHE A 69 10.255 15.141 -23.251 1.00 64.30 H new ATOM 0 HD2 PHE A 69 9.286 18.371 -25.852 1.00 2.50 H new ATOM 0 HE1 PHE A 69 10.118 16.651 -21.318 1.00 64.05 H new ATOM 0 HE2 PHE A 69 9.150 19.886 -23.921 1.00 62.54 H new ATOM 0 HZ PHE A 69 9.562 19.028 -21.651 1.00 31.55 H new ATOM 1079 N GLU A 70 6.880 14.569 -25.915 1.00 25.22 N ATOM 1080 CA GLU A 70 5.612 14.434 -26.621 1.00 13.51 C ATOM 1081 C GLU A 70 4.562 15.377 -26.038 1.00 23.40 C ATOM 1082 O GLU A 70 4.058 16.266 -26.725 1.00 65.22 O ATOM 1083 CB GLU A 70 5.113 12.990 -26.548 1.00 73.12 C ATOM 1084 CG GLU A 70 4.252 12.583 -27.733 1.00 22.24 C ATOM 1085 CD GLU A 70 3.687 11.183 -27.589 1.00 51.13 C ATOM 1086 OE1 GLU A 70 4.018 10.510 -26.591 1.00 33.23 O ATOM 1087 OE2 GLU A 70 2.915 10.761 -28.475 1.00 34.01 O ATOM 0 H GLU A 70 6.808 15.012 -24.999 1.00 25.22 H new ATOM 0 HA GLU A 70 5.776 14.701 -27.665 1.00 13.51 H new ATOM 0 HB2 GLU A 70 5.971 12.321 -26.486 1.00 73.12 H new ATOM 0 HB3 GLU A 70 4.539 12.859 -25.631 1.00 73.12 H new ATOM 0 HG2 GLU A 70 3.432 13.292 -27.842 1.00 22.24 H new ATOM 0 HG3 GLU A 70 4.846 12.639 -28.645 1.00 22.24 H new ATOM 1094 N THR A 71 4.236 15.175 -24.765 1.00 22.00 N ATOM 1095 CA THR A 71 3.246 16.004 -24.089 1.00 61.21 C ATOM 1096 C THR A 71 3.668 16.305 -22.655 1.00 75.24 C ATOM 1097 O THR A 71 4.745 15.901 -22.216 1.00 55.14 O ATOM 1098 CB THR A 71 1.863 15.327 -24.074 1.00 74.11 C ATOM 1099 OG1 THR A 71 1.974 13.995 -23.560 1.00 3.35 O ATOM 1100 CG2 THR A 71 1.264 15.287 -25.472 1.00 45.13 C ATOM 0 H THR A 71 4.643 14.444 -24.182 1.00 22.00 H new ATOM 0 HA THR A 71 3.179 16.937 -24.649 1.00 61.21 H new ATOM 0 HB THR A 71 1.205 15.911 -23.430 1.00 74.11 H new ATOM 0 HG1 THR A 71 1.552 13.949 -22.677 1.00 3.35 H new ATOM 0 HG21 THR A 71 0.287 14.804 -25.436 1.00 45.13 H new ATOM 0 HG22 THR A 71 1.153 16.304 -25.849 1.00 45.13 H new ATOM 0 HG23 THR A 71 1.922 14.724 -26.134 1.00 45.13 H new ATOM 1108 N VAL A 72 2.811 17.016 -21.929 1.00 4.13 N ATOM 1109 CA VAL A 72 3.094 17.370 -20.543 1.00 24.32 C ATOM 1110 C VAL A 72 3.497 16.142 -19.734 1.00 33.14 C ATOM 1111 O VAL A 72 4.425 16.193 -18.928 1.00 44.04 O ATOM 1112 CB VAL A 72 1.877 18.036 -19.874 1.00 25.23 C ATOM 1113 CG1 VAL A 72 2.135 18.252 -18.390 1.00 44.24 C ATOM 1114 CG2 VAL A 72 1.545 19.351 -20.563 1.00 35.53 C ATOM 0 H VAL A 72 1.915 17.358 -22.277 1.00 4.13 H new ATOM 0 HA VAL A 72 3.922 18.078 -20.560 1.00 24.32 H new ATOM 0 HB VAL A 72 1.019 17.372 -19.976 1.00 25.23 H new ATOM 0 HG11 VAL A 72 1.264 18.723 -17.934 1.00 44.24 H new ATOM 0 HG12 VAL A 72 2.321 17.291 -17.909 1.00 44.24 H new ATOM 0 HG13 VAL A 72 3.005 18.896 -18.262 1.00 44.24 H new ATOM 0 HG21 VAL A 72 0.683 19.808 -20.078 1.00 35.53 H new ATOM 0 HG22 VAL A 72 2.400 20.024 -20.494 1.00 35.53 H new ATOM 0 HG23 VAL A 72 1.314 19.164 -21.612 1.00 35.53 H new ATOM 1124 N GLY A 73 2.790 15.037 -19.954 1.00 25.01 N ATOM 1125 CA GLY A 73 3.089 13.811 -19.238 1.00 21.42 C ATOM 1126 C GLY A 73 4.565 13.468 -19.265 1.00 44.10 C ATOM 1127 O GLY A 73 5.120 13.002 -18.269 1.00 40.25 O ATOM 0 H GLY A 73 2.016 14.970 -20.615 1.00 25.01 H new ATOM 0 HA2 GLY A 73 2.761 13.909 -18.203 1.00 21.42 H new ATOM 0 HA3 GLY A 73 2.521 12.990 -19.676 1.00 21.42 H new ATOM 1131 N ASP A 74 5.203 13.697 -20.408 1.00 2.44 N ATOM 1132 CA ASP A 74 6.625 13.409 -20.561 1.00 15.30 C ATOM 1133 C ASP A 74 7.463 14.316 -19.665 1.00 55.22 C ATOM 1134 O ASP A 74 8.408 13.865 -19.018 1.00 41.54 O ATOM 1135 CB ASP A 74 7.047 13.582 -22.021 1.00 0.13 C ATOM 1136 CG ASP A 74 6.361 12.594 -22.943 1.00 32.41 C ATOM 1137 OD1 ASP A 74 5.145 12.749 -23.180 1.00 12.43 O ATOM 1138 OD2 ASP A 74 7.040 11.664 -23.427 1.00 74.33 O ATOM 0 H ASP A 74 4.758 14.081 -21.242 1.00 2.44 H new ATOM 0 HA ASP A 74 6.796 12.375 -20.261 1.00 15.30 H new ATOM 0 HB2 ASP A 74 6.817 14.597 -22.345 1.00 0.13 H new ATOM 0 HB3 ASP A 74 8.127 13.459 -22.101 1.00 0.13 H new ATOM 1143 N VAL A 75 7.110 15.597 -19.633 1.00 52.50 N ATOM 1144 CA VAL A 75 7.829 16.568 -18.817 1.00 0.22 C ATOM 1145 C VAL A 75 7.697 16.244 -17.333 1.00 72.00 C ATOM 1146 O VAL A 75 8.630 16.449 -16.556 1.00 74.52 O ATOM 1147 CB VAL A 75 7.318 18.000 -19.066 1.00 34.51 C ATOM 1148 CG1 VAL A 75 8.267 19.020 -18.456 1.00 31.40 C ATOM 1149 CG2 VAL A 75 7.139 18.249 -20.556 1.00 1.32 C ATOM 0 H VAL A 75 6.330 15.987 -20.163 1.00 52.50 H new ATOM 0 HA VAL A 75 8.878 16.509 -19.107 1.00 0.22 H new ATOM 0 HB VAL A 75 6.347 18.110 -18.583 1.00 34.51 H new ATOM 0 HG11 VAL A 75 7.889 20.025 -18.642 1.00 31.40 H new ATOM 0 HG12 VAL A 75 8.339 18.853 -17.381 1.00 31.40 H new ATOM 0 HG13 VAL A 75 9.254 18.914 -18.907 1.00 31.40 H new ATOM 0 HG21 VAL A 75 6.778 19.265 -20.714 1.00 1.32 H new ATOM 0 HG22 VAL A 75 8.095 18.121 -21.064 1.00 1.32 H new ATOM 0 HG23 VAL A 75 6.416 17.540 -20.959 1.00 1.32 H new ATOM 1159 N VAL A 76 6.531 15.736 -16.945 1.00 50.34 N ATOM 1160 CA VAL A 76 6.276 15.382 -15.554 1.00 62.33 C ATOM 1161 C VAL A 76 7.276 14.342 -15.060 1.00 43.51 C ATOM 1162 O VAL A 76 7.999 14.573 -14.092 1.00 2.41 O ATOM 1163 CB VAL A 76 4.849 14.834 -15.367 1.00 52.11 C ATOM 1164 CG1 VAL A 76 4.627 14.402 -13.926 1.00 3.25 C ATOM 1165 CG2 VAL A 76 3.821 15.875 -15.785 1.00 35.54 C ATOM 0 H VAL A 76 5.748 15.561 -17.575 1.00 50.34 H new ATOM 0 HA VAL A 76 6.386 16.295 -14.969 1.00 62.33 H new ATOM 0 HB VAL A 76 4.727 13.959 -16.005 1.00 52.11 H new ATOM 0 HG11 VAL A 76 3.613 14.018 -13.813 1.00 3.25 H new ATOM 0 HG12 VAL A 76 5.342 13.621 -13.666 1.00 3.25 H new ATOM 0 HG13 VAL A 76 4.766 15.257 -13.264 1.00 3.25 H new ATOM 0 HG21 VAL A 76 2.818 15.472 -15.647 1.00 35.54 H new ATOM 0 HG22 VAL A 76 3.940 16.770 -15.174 1.00 35.54 H new ATOM 0 HG23 VAL A 76 3.968 16.130 -16.834 1.00 35.54 H new ATOM 1175 N ASN A 77 7.312 13.197 -15.733 1.00 20.21 N ATOM 1176 CA ASN A 77 8.224 12.121 -15.362 1.00 61.11 C ATOM 1177 C ASN A 77 9.670 12.508 -15.657 1.00 61.52 C ATOM 1178 O ASN A 77 10.603 11.950 -15.079 1.00 44.13 O ATOM 1179 CB ASN A 77 7.864 10.837 -16.113 1.00 41.53 C ATOM 1180 CG ASN A 77 8.539 10.752 -17.469 1.00 3.15 C ATOM 1181 OD1 ASN A 77 9.731 10.456 -17.563 1.00 54.44 O ATOM 1182 ND2 ASN A 77 7.779 11.012 -18.526 1.00 33.43 N ATOM 0 H ASN A 77 6.721 12.990 -16.538 1.00 20.21 H new ATOM 0 HA ASN A 77 8.124 11.947 -14.291 1.00 61.11 H new ATOM 0 HB2 ASN A 77 8.152 9.975 -15.512 1.00 41.53 H new ATOM 0 HB3 ASN A 77 6.783 10.787 -16.244 1.00 41.53 H new ATOM 0 HD21 ASN A 77 8.178 10.971 -19.464 1.00 33.43 H new ATOM 0 HD22 ASN A 77 6.796 11.253 -18.400 1.00 33.43 H new ATOM 1189 N PHE A 78 9.848 13.466 -16.560 1.00 50.12 N ATOM 1190 CA PHE A 78 11.180 13.928 -16.933 1.00 21.22 C ATOM 1191 C PHE A 78 11.818 14.723 -15.797 1.00 32.50 C ATOM 1192 O PHE A 78 12.872 14.350 -15.281 1.00 11.44 O ATOM 1193 CB PHE A 78 11.110 14.789 -18.196 1.00 30.51 C ATOM 1194 CG PHE A 78 11.415 14.030 -19.456 1.00 1.01 C ATOM 1195 CD1 PHE A 78 10.981 12.724 -19.616 1.00 61.12 C ATOM 1196 CD2 PHE A 78 12.135 14.623 -20.480 1.00 44.21 C ATOM 1197 CE1 PHE A 78 11.261 12.024 -20.774 1.00 63.43 C ATOM 1198 CE2 PHE A 78 12.418 13.928 -21.641 1.00 23.12 C ATOM 1199 CZ PHE A 78 11.980 12.627 -21.788 1.00 74.33 C ATOM 0 H PHE A 78 9.086 13.938 -17.047 1.00 50.12 H new ATOM 0 HA PHE A 78 11.798 13.052 -17.132 1.00 21.22 H new ATOM 0 HB2 PHE A 78 10.114 15.224 -18.275 1.00 30.51 H new ATOM 0 HB3 PHE A 78 11.812 15.617 -18.101 1.00 30.51 H new ATOM 0 HD1 PHE A 78 10.418 12.248 -18.827 1.00 61.12 H new ATOM 0 HD2 PHE A 78 12.479 15.641 -20.370 1.00 44.21 H new ATOM 0 HE1 PHE A 78 10.918 11.006 -20.886 1.00 63.43 H new ATOM 0 HE2 PHE A 78 12.981 14.402 -22.432 1.00 23.12 H new ATOM 0 HZ PHE A 78 12.199 12.082 -22.694 1.00 74.33 H new ATOM 1209 N ILE A 79 11.171 15.818 -15.414 1.00 42.30 N ATOM 1210 CA ILE A 79 11.674 16.665 -14.340 1.00 2.33 C ATOM 1211 C ILE A 79 11.730 15.904 -13.020 1.00 32.14 C ATOM 1212 O ILE A 79 12.513 16.237 -12.130 1.00 64.13 O ATOM 1213 CB ILE A 79 10.802 17.922 -14.158 1.00 63.23 C ATOM 1214 CG1 ILE A 79 10.773 18.740 -15.451 1.00 73.41 C ATOM 1215 CG2 ILE A 79 11.322 18.765 -13.004 1.00 21.05 C ATOM 1216 CD1 ILE A 79 9.981 20.023 -15.336 1.00 53.21 C ATOM 0 H ILE A 79 10.298 16.140 -15.831 1.00 42.30 H new ATOM 0 HA ILE A 79 12.681 16.970 -14.624 1.00 2.33 H new ATOM 0 HB ILE A 79 9.784 17.610 -13.924 1.00 63.23 H new ATOM 0 HG12 ILE A 79 11.796 18.979 -15.743 1.00 73.41 H new ATOM 0 HG13 ILE A 79 10.348 18.130 -16.248 1.00 73.41 H new ATOM 0 HG21 ILE A 79 10.695 19.649 -12.888 1.00 21.05 H new ATOM 0 HG22 ILE A 79 11.296 18.179 -12.085 1.00 21.05 H new ATOM 0 HG23 ILE A 79 12.347 19.071 -13.210 1.00 21.05 H new ATOM 0 HD11 ILE A 79 10.004 20.551 -16.289 1.00 53.21 H new ATOM 0 HD12 ILE A 79 8.949 19.791 -15.074 1.00 53.21 H new ATOM 0 HD13 ILE A 79 10.419 20.653 -14.562 1.00 53.21 H new ATOM 1228 N LYS A 80 10.894 14.878 -12.899 1.00 50.10 N ATOM 1229 CA LYS A 80 10.849 14.066 -11.689 1.00 73.42 C ATOM 1230 C LYS A 80 12.183 13.365 -11.454 1.00 2.21 C ATOM 1231 O LYS A 80 12.747 13.431 -10.361 1.00 53.12 O ATOM 1232 CB LYS A 80 9.727 13.029 -11.788 1.00 1.11 C ATOM 1233 CG LYS A 80 8.425 13.480 -11.150 1.00 34.33 C ATOM 1234 CD LYS A 80 7.236 12.717 -11.710 1.00 31.20 C ATOM 1235 CE LYS A 80 7.343 11.228 -11.420 1.00 74.51 C ATOM 1236 NZ LYS A 80 6.008 10.613 -11.175 1.00 4.34 N ATOM 0 H LYS A 80 10.238 14.589 -13.625 1.00 50.10 H new ATOM 0 HA LYS A 80 10.652 14.727 -10.845 1.00 73.42 H new ATOM 0 HB2 LYS A 80 9.547 12.800 -12.838 1.00 1.11 H new ATOM 0 HB3 LYS A 80 10.054 12.105 -11.312 1.00 1.11 H new ATOM 0 HG2 LYS A 80 8.477 13.333 -10.071 1.00 34.33 H new ATOM 0 HG3 LYS A 80 8.286 14.548 -11.320 1.00 34.33 H new ATOM 0 HD2 LYS A 80 6.315 13.108 -11.277 1.00 31.20 H new ATOM 0 HD3 LYS A 80 7.175 12.876 -12.787 1.00 31.20 H new ATOM 0 HE2 LYS A 80 7.824 10.728 -12.260 1.00 74.51 H new ATOM 0 HE3 LYS A 80 7.980 11.072 -10.549 1.00 74.51 H new ATOM 0 HZ1 LYS A 80 6.128 9.716 -10.662 1.00 4.34 H new ATOM 0 HZ2 LYS A 80 5.426 11.262 -10.607 1.00 4.34 H new ATOM 0 HZ3 LYS A 80 5.537 10.431 -12.084 1.00 4.34 H new ATOM 1250 N LYS A 81 12.685 12.696 -12.486 1.00 71.31 N ATOM 1251 CA LYS A 81 13.955 11.985 -12.394 1.00 12.25 C ATOM 1252 C LYS A 81 15.129 12.945 -12.556 1.00 53.44 C ATOM 1253 O LYS A 81 16.224 12.693 -12.053 1.00 74.14 O ATOM 1254 CB LYS A 81 14.028 10.888 -13.458 1.00 52.43 C ATOM 1255 CG LYS A 81 13.829 11.401 -14.874 1.00 45.12 C ATOM 1256 CD LYS A 81 14.684 10.635 -15.870 1.00 21.44 C ATOM 1257 CE LYS A 81 15.056 11.497 -17.066 1.00 11.53 C ATOM 1258 NZ LYS A 81 16.162 10.897 -17.861 1.00 25.43 N ATOM 0 H LYS A 81 12.231 12.631 -13.397 1.00 71.31 H new ATOM 0 HA LYS A 81 14.016 11.528 -11.406 1.00 12.25 H new ATOM 0 HB2 LYS A 81 14.997 10.394 -13.392 1.00 52.43 H new ATOM 0 HB3 LYS A 81 13.270 10.134 -13.244 1.00 52.43 H new ATOM 0 HG2 LYS A 81 12.778 11.311 -15.150 1.00 45.12 H new ATOM 0 HG3 LYS A 81 14.080 12.461 -14.917 1.00 45.12 H new ATOM 0 HD2 LYS A 81 15.591 10.284 -15.378 1.00 21.44 H new ATOM 0 HD3 LYS A 81 14.144 9.752 -16.211 1.00 21.44 H new ATOM 0 HE2 LYS A 81 14.182 11.630 -17.703 1.00 11.53 H new ATOM 0 HE3 LYS A 81 15.353 12.487 -16.721 1.00 11.53 H new ATOM 0 HZ1 LYS A 81 16.385 11.515 -18.667 1.00 25.43 H new ATOM 0 HZ2 LYS A 81 17.005 10.793 -17.260 1.00 25.43 H new ATOM 0 HZ3 LYS A 81 15.870 9.963 -18.212 1.00 25.43 H new ATOM 1272 N ARG A 82 14.893 14.047 -13.261 1.00 15.43 N ATOM 1273 CA ARG A 82 15.931 15.045 -13.489 1.00 14.30 C ATOM 1274 C ARG A 82 16.537 15.511 -12.168 1.00 63.44 C ATOM 1275 O ARG A 82 17.750 15.691 -12.059 1.00 63.21 O ATOM 1276 CB ARG A 82 15.358 16.243 -14.250 1.00 22.14 C ATOM 1277 CG ARG A 82 16.264 16.748 -15.360 1.00 42.44 C ATOM 1278 CD ARG A 82 15.744 16.345 -16.731 1.00 35.30 C ATOM 1279 NE ARG A 82 14.881 17.370 -17.313 1.00 20.35 N ATOM 1280 CZ ARG A 82 15.340 18.459 -17.918 1.00 51.31 C ATOM 1281 NH1 ARG A 82 16.646 18.664 -18.021 1.00 53.23 N ATOM 1282 NH2 ARG A 82 14.492 19.346 -18.422 1.00 52.55 N ATOM 0 H ARG A 82 13.992 14.271 -13.684 1.00 15.43 H new ATOM 0 HA ARG A 82 16.717 14.585 -14.087 1.00 14.30 H new ATOM 0 HB2 ARG A 82 14.395 15.964 -14.677 1.00 22.14 H new ATOM 0 HB3 ARG A 82 15.172 17.055 -13.547 1.00 22.14 H new ATOM 0 HG2 ARG A 82 16.340 17.834 -15.303 1.00 42.44 H new ATOM 0 HG3 ARG A 82 17.269 16.350 -15.220 1.00 42.44 H new ATOM 0 HD2 ARG A 82 16.586 16.159 -17.398 1.00 35.30 H new ATOM 0 HD3 ARG A 82 15.191 15.410 -16.648 1.00 35.30 H new ATOM 0 HE ARG A 82 13.871 17.242 -17.251 1.00 20.35 H new ATOM 0 HH11 ARG A 82 17.301 17.984 -17.635 1.00 53.23 H new ATOM 0 HH12 ARG A 82 16.996 19.502 -18.486 1.00 53.23 H new ATOM 0 HH21 ARG A 82 13.487 19.192 -18.345 1.00 52.55 H new ATOM 0 HH22 ARG A 82 14.845 20.182 -18.887 1.00 52.55 H new ATOM 1296 N LYS A 83 15.685 15.704 -11.167 1.00 62.05 N ATOM 1297 CA LYS A 83 16.136 16.148 -9.854 1.00 34.55 C ATOM 1298 C LYS A 83 16.058 15.011 -8.840 1.00 23.45 C ATOM 1299 O LYS A 83 16.953 14.842 -8.012 1.00 63.35 O ATOM 1300 CB LYS A 83 15.291 17.330 -9.375 1.00 10.53 C ATOM 1301 CG LYS A 83 15.808 18.678 -9.848 1.00 31.00 C ATOM 1302 CD LYS A 83 15.684 19.735 -8.763 1.00 52.05 C ATOM 1303 CE LYS A 83 16.905 19.750 -7.857 1.00 45.15 C ATOM 1304 NZ LYS A 83 17.046 21.046 -7.138 1.00 3.22 N ATOM 0 H LYS A 83 14.678 15.560 -11.240 1.00 62.05 H new ATOM 0 HA LYS A 83 17.176 16.464 -9.942 1.00 34.55 H new ATOM 0 HB2 LYS A 83 14.267 17.200 -9.725 1.00 10.53 H new ATOM 0 HB3 LYS A 83 15.258 17.325 -8.286 1.00 10.53 H new ATOM 0 HG2 LYS A 83 16.852 18.584 -10.148 1.00 31.00 H new ATOM 0 HG3 LYS A 83 15.250 18.993 -10.730 1.00 31.00 H new ATOM 0 HD2 LYS A 83 15.558 20.716 -9.222 1.00 52.05 H new ATOM 0 HD3 LYS A 83 14.791 19.544 -8.168 1.00 52.05 H new ATOM 0 HE2 LYS A 83 16.830 18.939 -7.133 1.00 45.15 H new ATOM 0 HE3 LYS A 83 17.800 19.565 -8.451 1.00 45.15 H new ATOM 0 HZ1 LYS A 83 17.890 21.016 -6.531 1.00 3.22 H new ATOM 0 HZ2 LYS A 83 17.143 21.817 -7.829 1.00 3.22 H new ATOM 0 HZ3 LYS A 83 16.203 21.211 -6.551 1.00 3.22 H new ATOM 1318 N GLY A 84 14.983 14.232 -8.910 1.00 53.15 N ATOM 1319 CA GLY A 84 14.810 13.120 -7.994 1.00 12.41 C ATOM 1320 C GLY A 84 14.708 13.570 -6.550 1.00 30.02 C ATOM 1321 O GLY A 84 15.658 13.428 -5.780 1.00 41.22 O ATOM 0 H GLY A 84 14.228 14.351 -9.586 1.00 53.15 H new ATOM 0 HA2 GLY A 84 13.910 12.567 -8.264 1.00 12.41 H new ATOM 0 HA3 GLY A 84 15.649 12.433 -8.099 1.00 12.41 H new