USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=12 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 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0701) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.059) USER MOD Single : A 24 LYS NZ :NH3+ 172:sc= -1.09 (180deg=-1.4) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0952 USER MOD Single : A 31 THR OG1 : rot -37:sc= 0.154 USER MOD Single : A 33 SER OG : rot 180:sc= -0.0402 USER MOD Single : A 40 ASN : amide:sc= -0.838 K(o=-0.84,f=0.049) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.62 K(o=-1.6,f=-0.37) USER MOD Single : A 67 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.086) USER MOD Single : A 71 THR OG1 : rot 110:sc= -0.675 USER MOD Single : A 77 ASN : amide:sc= -1.61 X(o=-1.6,f=-1.5!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 7.499 10.745 -7.041 1.00 11.41 N ATOM 84 CA ASP A 8 6.091 10.987 -7.336 1.00 22.24 C ATOM 85 C ASP A 8 5.530 12.088 -6.442 1.00 10.14 C ATOM 86 O ASP A 8 4.316 12.267 -6.350 1.00 1.13 O ATOM 87 CB ASP A 8 5.282 9.702 -7.152 1.00 60.11 C ATOM 88 CG ASP A 8 5.414 8.761 -8.334 1.00 14.24 C ATOM 89 OD1 ASP A 8 6.406 8.884 -9.083 1.00 34.24 O ATOM 90 OD2 ASP A 8 4.525 7.902 -8.509 1.00 21.42 O ATOM 0 HA ASP A 8 6.013 11.311 -8.374 1.00 22.24 H new ATOM 0 HB2 ASP A 8 5.614 9.193 -6.247 1.00 60.11 H new ATOM 0 HB3 ASP A 8 4.232 9.955 -7.008 1.00 60.11 H new ATOM 95 N GLU A 9 6.422 12.822 -5.784 1.00 44.12 N ATOM 96 CA GLU A 9 6.015 13.904 -4.896 1.00 10.40 C ATOM 97 C GLU A 9 6.248 15.263 -5.551 1.00 75.33 C ATOM 98 O GLU A 9 5.595 16.249 -5.208 1.00 74.24 O ATOM 99 CB GLU A 9 6.782 13.825 -3.574 1.00 51.43 C ATOM 100 CG GLU A 9 6.561 12.525 -2.819 1.00 45.44 C ATOM 101 CD GLU A 9 5.097 12.261 -2.528 1.00 60.13 C ATOM 102 OE1 GLU A 9 4.488 13.052 -1.778 1.00 42.14 O ATOM 103 OE2 GLU A 9 4.560 11.262 -3.051 1.00 71.04 O ATOM 0 H GLU A 9 7.431 12.687 -5.849 1.00 44.12 H new ATOM 0 HA GLU A 9 4.949 13.794 -4.697 1.00 10.40 H new ATOM 0 HB2 GLU A 9 7.847 13.943 -3.774 1.00 51.43 H new ATOM 0 HB3 GLU A 9 6.483 14.659 -2.940 1.00 51.43 H new ATOM 0 HG2 GLU A 9 6.967 11.698 -3.401 1.00 45.44 H new ATOM 0 HG3 GLU A 9 7.114 12.556 -1.880 1.00 45.44 H new ATOM 110 N ILE A 10 7.182 15.306 -6.495 1.00 21.52 N ATOM 111 CA ILE A 10 7.501 16.542 -7.198 1.00 74.32 C ATOM 112 C ILE A 10 6.341 16.985 -8.083 1.00 15.41 C ATOM 113 O ILE A 10 5.839 18.102 -7.954 1.00 10.44 O ATOM 114 CB ILE A 10 8.763 16.386 -8.066 1.00 42.24 C ATOM 115 CG1 ILE A 10 9.965 16.014 -7.195 1.00 72.15 C ATOM 116 CG2 ILE A 10 9.038 17.669 -8.837 1.00 14.02 C ATOM 117 CD1 ILE A 10 10.995 15.173 -7.915 1.00 64.35 C ATOM 0 H ILE A 10 7.731 14.499 -6.791 1.00 21.52 H new ATOM 0 HA ILE A 10 7.685 17.300 -6.437 1.00 74.32 H new ATOM 0 HB ILE A 10 8.595 15.583 -8.783 1.00 42.24 H new ATOM 0 HG12 ILE A 10 10.440 16.927 -6.836 1.00 72.15 H new ATOM 0 HG13 ILE A 10 9.614 15.471 -6.317 1.00 72.15 H new ATOM 0 HG21 ILE A 10 9.933 17.543 -9.446 1.00 14.02 H new ATOM 0 HG22 ILE A 10 8.189 17.895 -9.482 1.00 14.02 H new ATOM 0 HG23 ILE A 10 9.189 18.490 -8.136 1.00 14.02 H new ATOM 0 HD11 ILE A 10 11.818 14.947 -7.237 1.00 64.35 H new ATOM 0 HD12 ILE A 10 10.536 14.243 -8.250 1.00 64.35 H new ATOM 0 HD13 ILE A 10 11.375 15.722 -8.777 1.00 64.35 H new ATOM 129 N PHE A 11 5.917 16.102 -8.981 1.00 41.31 N ATOM 130 CA PHE A 11 4.815 16.402 -9.887 1.00 53.14 C ATOM 131 C PHE A 11 3.499 16.516 -9.124 1.00 35.22 C ATOM 132 O PHE A 11 2.604 17.266 -9.515 1.00 62.42 O ATOM 133 CB PHE A 11 4.702 15.320 -10.963 1.00 32.43 C ATOM 134 CG PHE A 11 3.837 14.160 -10.558 1.00 2.14 C ATOM 135 CD1 PHE A 11 4.261 13.270 -9.583 1.00 55.52 C ATOM 136 CD2 PHE A 11 2.601 13.960 -11.151 1.00 1.15 C ATOM 137 CE1 PHE A 11 3.467 12.202 -9.209 1.00 42.43 C ATOM 138 CE2 PHE A 11 1.803 12.894 -10.780 1.00 61.13 C ATOM 139 CZ PHE A 11 2.237 12.014 -9.808 1.00 15.55 C ATOM 0 H PHE A 11 6.320 15.173 -9.101 1.00 41.31 H new ATOM 0 HA PHE A 11 5.021 17.360 -10.365 1.00 53.14 H new ATOM 0 HB2 PHE A 11 4.298 15.764 -11.873 1.00 32.43 H new ATOM 0 HB3 PHE A 11 5.700 14.953 -11.204 1.00 32.43 H new ATOM 0 HD1 PHE A 11 5.222 13.413 -9.111 1.00 55.52 H new ATOM 0 HD2 PHE A 11 2.257 14.645 -11.912 1.00 1.15 H new ATOM 0 HE1 PHE A 11 3.808 11.515 -8.449 1.00 42.43 H new ATOM 0 HE2 PHE A 11 0.841 12.749 -11.250 1.00 61.13 H new ATOM 0 HZ PHE A 11 1.615 11.180 -9.517 1.00 15.55 H new ATOM 149 N SER A 12 3.388 15.765 -8.032 1.00 52.34 N ATOM 150 CA SER A 12 2.180 15.778 -7.216 1.00 31.44 C ATOM 151 C SER A 12 2.079 17.072 -6.415 1.00 11.24 C ATOM 152 O SER A 12 1.025 17.707 -6.368 1.00 30.12 O ATOM 153 CB SER A 12 2.167 14.576 -6.268 1.00 50.24 C ATOM 154 OG SER A 12 0.964 14.529 -5.521 1.00 71.21 O ATOM 0 H SER A 12 4.120 15.141 -7.693 1.00 52.34 H new ATOM 0 HA SER A 12 1.320 15.716 -7.883 1.00 31.44 H new ATOM 0 HB2 SER A 12 2.279 13.656 -6.841 1.00 50.24 H new ATOM 0 HB3 SER A 12 3.018 14.635 -5.590 1.00 50.24 H new ATOM 0 HG SER A 12 0.980 13.752 -4.924 1.00 71.21 H new ATOM 160 N LYS A 13 3.183 17.458 -5.785 1.00 3.42 N ATOM 161 CA LYS A 13 3.222 18.677 -4.986 1.00 4.42 C ATOM 162 C LYS A 13 2.961 19.905 -5.853 1.00 24.11 C ATOM 163 O LYS A 13 2.174 20.779 -5.489 1.00 24.33 O ATOM 164 CB LYS A 13 4.578 18.811 -4.289 1.00 1.45 C ATOM 165 CG LYS A 13 4.692 20.047 -3.413 1.00 43.31 C ATOM 166 CD LYS A 13 6.059 20.141 -2.756 1.00 21.21 C ATOM 167 CE LYS A 13 6.318 21.535 -2.205 1.00 25.52 C ATOM 168 NZ LYS A 13 6.612 22.513 -3.288 1.00 5.41 N ATOM 0 H LYS A 13 4.063 16.944 -5.812 1.00 3.42 H new ATOM 0 HA LYS A 13 2.437 18.613 -4.232 1.00 4.42 H new ATOM 0 HB2 LYS A 13 4.752 17.925 -3.678 1.00 1.45 H new ATOM 0 HB3 LYS A 13 5.364 18.837 -5.044 1.00 1.45 H new ATOM 0 HG2 LYS A 13 4.515 20.938 -4.015 1.00 43.31 H new ATOM 0 HG3 LYS A 13 3.919 20.022 -2.645 1.00 43.31 H new ATOM 0 HD2 LYS A 13 6.127 19.411 -1.949 1.00 21.21 H new ATOM 0 HD3 LYS A 13 6.831 19.886 -3.482 1.00 21.21 H new ATOM 0 HE2 LYS A 13 5.448 21.870 -1.640 1.00 25.52 H new ATOM 0 HE3 LYS A 13 7.156 21.501 -1.509 1.00 25.52 H new ATOM 0 HZ1 LYS A 13 6.979 23.392 -2.871 1.00 5.41 H new ATOM 0 HZ2 LYS A 13 7.322 22.113 -3.934 1.00 5.41 H new ATOM 0 HZ3 LYS A 13 5.740 22.718 -3.817 1.00 5.41 H new ATOM 182 N VAL A 14 3.626 19.964 -7.003 1.00 32.22 N ATOM 183 CA VAL A 14 3.464 21.083 -7.923 1.00 75.11 C ATOM 184 C VAL A 14 2.015 21.213 -8.380 1.00 12.12 C ATOM 185 O VAL A 14 1.447 22.305 -8.373 1.00 41.51 O ATOM 186 CB VAL A 14 4.368 20.928 -9.160 1.00 3.21 C ATOM 187 CG1 VAL A 14 4.120 22.058 -10.148 1.00 71.40 C ATOM 188 CG2 VAL A 14 5.832 20.882 -8.747 1.00 14.53 C ATOM 0 H VAL A 14 4.282 19.250 -7.319 1.00 32.22 H new ATOM 0 HA VAL A 14 3.754 21.983 -7.381 1.00 75.11 H new ATOM 0 HB VAL A 14 4.123 19.987 -9.652 1.00 3.21 H new ATOM 0 HG11 VAL A 14 4.768 21.932 -11.015 1.00 71.40 H new ATOM 0 HG12 VAL A 14 3.078 22.040 -10.467 1.00 71.40 H new ATOM 0 HG13 VAL A 14 4.336 23.013 -9.670 1.00 71.40 H new ATOM 0 HG21 VAL A 14 6.457 20.772 -9.633 1.00 14.53 H new ATOM 0 HG22 VAL A 14 6.094 21.806 -8.231 1.00 14.53 H new ATOM 0 HG23 VAL A 14 5.996 20.035 -8.081 1.00 14.53 H new ATOM 198 N ARG A 15 1.422 20.092 -8.776 1.00 31.43 N ATOM 199 CA ARG A 15 0.039 20.080 -9.237 1.00 12.24 C ATOM 200 C ARG A 15 -0.919 20.384 -8.089 1.00 14.05 C ATOM 201 O ARG A 15 -1.998 20.939 -8.297 1.00 41.44 O ATOM 202 CB ARG A 15 -0.304 18.724 -9.855 1.00 62.25 C ATOM 203 CG ARG A 15 -1.070 18.827 -11.164 1.00 12.41 C ATOM 204 CD ARG A 15 -0.387 18.044 -12.273 1.00 62.44 C ATOM 205 NE ARG A 15 1.011 18.433 -12.438 1.00 21.14 N ATOM 206 CZ ARG A 15 1.692 18.270 -13.567 1.00 14.12 C ATOM 207 NH1 ARG A 15 1.105 17.729 -14.626 1.00 25.33 N ATOM 208 NH2 ARG A 15 2.961 18.650 -13.638 1.00 60.35 N ATOM 0 H ARG A 15 1.878 19.180 -8.787 1.00 31.43 H new ATOM 0 HA ARG A 15 -0.071 20.855 -9.995 1.00 12.24 H new ATOM 0 HB2 ARG A 15 0.618 18.169 -10.026 1.00 62.25 H new ATOM 0 HB3 ARG A 15 -0.895 18.149 -9.142 1.00 62.25 H new ATOM 0 HG2 ARG A 15 -2.084 18.452 -11.024 1.00 12.41 H new ATOM 0 HG3 ARG A 15 -1.155 19.874 -11.456 1.00 12.41 H new ATOM 0 HD2 ARG A 15 -0.443 16.978 -12.051 1.00 62.44 H new ATOM 0 HD3 ARG A 15 -0.920 18.203 -13.210 1.00 62.44 H new ATOM 0 HE ARG A 15 1.491 18.853 -11.642 1.00 21.14 H new ATOM 0 HH11 ARG A 15 0.129 17.437 -14.575 1.00 25.33 H new ATOM 0 HH12 ARG A 15 1.630 17.605 -15.492 1.00 25.33 H new ATOM 0 HH21 ARG A 15 3.415 19.068 -12.825 1.00 60.35 H new ATOM 0 HH22 ARG A 15 3.483 18.525 -14.505 1.00 60.35 H new ATOM 222 N SER A 16 -0.518 20.015 -6.876 1.00 40.32 N ATOM 223 CA SER A 16 -1.343 20.244 -5.695 1.00 45.35 C ATOM 224 C SER A 16 -1.567 21.737 -5.471 1.00 23.45 C ATOM 225 O SER A 16 -2.570 22.143 -4.884 1.00 73.11 O ATOM 226 CB SER A 16 -0.686 19.624 -4.461 1.00 21.12 C ATOM 227 OG SER A 16 -1.571 19.631 -3.354 1.00 74.04 O ATOM 0 H SER A 16 0.373 19.556 -6.685 1.00 40.32 H new ATOM 0 HA SER A 16 -2.311 19.770 -5.859 1.00 45.35 H new ATOM 0 HB2 SER A 16 -0.383 18.600 -4.682 1.00 21.12 H new ATOM 0 HB3 SER A 16 0.219 20.177 -4.210 1.00 21.12 H new ATOM 0 HG SER A 16 -1.128 19.228 -2.578 1.00 74.04 H new ATOM 233 N ILE A 17 -0.625 22.547 -5.941 1.00 1.32 N ATOM 234 CA ILE A 17 -0.719 23.994 -5.792 1.00 54.34 C ATOM 235 C ILE A 17 -1.705 24.586 -6.794 1.00 12.41 C ATOM 236 O ILE A 17 -2.640 25.294 -6.416 1.00 64.11 O ATOM 237 CB ILE A 17 0.652 24.670 -5.978 1.00 60.03 C ATOM 238 CG1 ILE A 17 1.655 24.126 -4.959 1.00 43.01 C ATOM 239 CG2 ILE A 17 0.521 26.180 -5.846 1.00 73.04 C ATOM 240 CD1 ILE A 17 3.097 24.396 -5.327 1.00 44.13 C ATOM 0 H ILE A 17 0.212 22.226 -6.428 1.00 1.32 H new ATOM 0 HA ILE A 17 -1.074 24.185 -4.779 1.00 54.34 H new ATOM 0 HB ILE A 17 1.019 24.443 -6.979 1.00 60.03 H new ATOM 0 HG12 ILE A 17 1.448 24.570 -3.985 1.00 43.01 H new ATOM 0 HG13 ILE A 17 1.510 23.051 -4.857 1.00 43.01 H new ATOM 0 HG21 ILE A 17 1.499 26.643 -5.980 1.00 73.04 H new ATOM 0 HG22 ILE A 17 -0.165 26.554 -6.606 1.00 73.04 H new ATOM 0 HG23 ILE A 17 0.135 26.427 -4.857 1.00 73.04 H new ATOM 0 HD11 ILE A 17 3.752 23.982 -4.560 1.00 44.13 H new ATOM 0 HD12 ILE A 17 3.321 23.929 -6.286 1.00 44.13 H new ATOM 0 HD13 ILE A 17 3.258 25.471 -5.401 1.00 44.13 H new ATOM 252 N ILE A 18 -1.491 24.291 -8.072 1.00 13.04 N ATOM 253 CA ILE A 18 -2.363 24.792 -9.127 1.00 62.21 C ATOM 254 C ILE A 18 -3.741 24.142 -9.057 1.00 2.44 C ATOM 255 O ILE A 18 -4.743 24.746 -9.440 1.00 30.25 O ATOM 256 CB ILE A 18 -1.760 24.540 -10.522 1.00 21.02 C ATOM 257 CG1 ILE A 18 -1.501 23.046 -10.727 1.00 52.14 C ATOM 258 CG2 ILE A 18 -0.474 25.334 -10.694 1.00 41.51 C ATOM 259 CD1 ILE A 18 -0.909 22.716 -12.080 1.00 30.14 C ATOM 0 H ILE A 18 -0.722 23.708 -8.402 1.00 13.04 H new ATOM 0 HA ILE A 18 -2.462 25.866 -8.971 1.00 62.21 H new ATOM 0 HB ILE A 18 -2.473 24.873 -11.276 1.00 21.02 H new ATOM 0 HG12 ILE A 18 -0.826 22.692 -9.948 1.00 52.14 H new ATOM 0 HG13 ILE A 18 -2.439 22.503 -10.607 1.00 52.14 H new ATOM 0 HG21 ILE A 18 -0.060 25.146 -11.684 1.00 41.51 H new ATOM 0 HG22 ILE A 18 -0.686 26.398 -10.586 1.00 41.51 H new ATOM 0 HG23 ILE A 18 0.246 25.028 -9.935 1.00 41.51 H new ATOM 0 HD11 ILE A 18 -0.752 21.640 -12.156 1.00 30.14 H new ATOM 0 HD12 ILE A 18 -1.593 23.039 -12.865 1.00 30.14 H new ATOM 0 HD13 ILE A 18 0.045 23.231 -12.195 1.00 30.14 H new ATOM 271 N SER A 19 -3.783 22.909 -8.563 1.00 11.14 N ATOM 272 CA SER A 19 -5.038 22.176 -8.443 1.00 51.32 C ATOM 273 C SER A 19 -6.107 23.035 -7.775 1.00 13.23 C ATOM 274 O SER A 19 -7.300 22.864 -8.023 1.00 32.43 O ATOM 275 CB SER A 19 -4.828 20.890 -7.643 1.00 24.42 C ATOM 276 OG SER A 19 -6.002 20.531 -6.936 1.00 32.30 O ATOM 0 H SER A 19 -2.963 22.397 -8.239 1.00 11.14 H new ATOM 0 HA SER A 19 -5.377 21.919 -9.447 1.00 51.32 H new ATOM 0 HB2 SER A 19 -4.544 20.081 -8.317 1.00 24.42 H new ATOM 0 HB3 SER A 19 -4.004 21.025 -6.942 1.00 24.42 H new ATOM 0 HG SER A 19 -5.842 19.705 -6.434 1.00 32.30 H new ATOM 282 N GLU A 20 -5.669 23.960 -6.926 1.00 33.11 N ATOM 283 CA GLU A 20 -6.589 24.845 -6.221 1.00 3.32 C ATOM 284 C GLU A 20 -7.453 25.628 -7.205 1.00 72.42 C ATOM 285 O GLU A 20 -8.681 25.579 -7.142 1.00 53.20 O ATOM 286 CB GLU A 20 -5.813 25.813 -5.325 1.00 12.41 C ATOM 287 CG GLU A 20 -6.609 26.306 -4.128 1.00 74.31 C ATOM 288 CD GLU A 20 -6.734 25.258 -3.039 1.00 60.22 C ATOM 289 OE1 GLU A 20 -6.114 24.183 -3.176 1.00 24.22 O ATOM 290 OE2 GLU A 20 -7.452 25.514 -2.050 1.00 73.51 O ATOM 0 H GLU A 20 -4.684 24.116 -6.710 1.00 33.11 H new ATOM 0 HA GLU A 20 -7.242 24.230 -5.601 1.00 3.32 H new ATOM 0 HB2 GLU A 20 -4.908 25.320 -4.971 1.00 12.41 H new ATOM 0 HB3 GLU A 20 -5.497 26.671 -5.919 1.00 12.41 H new ATOM 0 HG2 GLU A 20 -6.129 27.195 -3.718 1.00 74.31 H new ATOM 0 HG3 GLU A 20 -7.605 26.604 -4.456 1.00 74.31 H new ATOM 297 N GLN A 21 -6.802 26.348 -8.113 1.00 31.31 N ATOM 298 CA GLN A 21 -7.511 27.141 -9.110 1.00 11.44 C ATOM 299 C GLN A 21 -7.879 26.291 -10.321 1.00 15.20 C ATOM 300 O GLN A 21 -9.010 26.342 -10.808 1.00 21.24 O ATOM 301 CB GLN A 21 -6.655 28.331 -9.548 1.00 12.11 C ATOM 302 CG GLN A 21 -6.417 29.349 -8.444 1.00 70.31 C ATOM 303 CD GLN A 21 -7.696 30.019 -7.982 1.00 31.40 C ATOM 304 OE1 GLN A 21 -8.015 30.020 -6.793 1.00 34.53 O ATOM 305 NE2 GLN A 21 -8.437 30.594 -8.922 1.00 64.33 N ATOM 0 H GLN A 21 -5.785 26.398 -8.179 1.00 31.31 H new ATOM 0 HA GLN A 21 -8.431 27.511 -8.656 1.00 11.44 H new ATOM 0 HB2 GLN A 21 -5.693 27.964 -9.906 1.00 12.11 H new ATOM 0 HB3 GLN A 21 -7.140 28.826 -10.389 1.00 12.11 H new ATOM 0 HG2 GLN A 21 -5.943 28.855 -7.596 1.00 70.31 H new ATOM 0 HG3 GLN A 21 -5.721 30.109 -8.800 1.00 70.31 H new ATOM 0 HE21 GLN A 21 -8.135 30.569 -9.896 1.00 64.33 H new ATOM 0 HE22 GLN A 21 -9.309 31.060 -8.670 1.00 64.33 H new ATOM 314 N LEU A 22 -6.919 25.511 -10.804 1.00 30.22 N ATOM 315 CA LEU A 22 -7.142 24.649 -11.959 1.00 71.14 C ATOM 316 C LEU A 22 -8.239 23.628 -11.674 1.00 13.41 C ATOM 317 O LEU A 22 -8.966 23.215 -12.577 1.00 73.42 O ATOM 318 CB LEU A 22 -5.847 23.929 -12.341 1.00 54.32 C ATOM 319 CG LEU A 22 -4.938 24.663 -13.327 1.00 64.33 C ATOM 320 CD1 LEU A 22 -4.681 26.087 -12.859 1.00 75.15 C ATOM 321 CD2 LEU A 22 -3.625 23.912 -13.501 1.00 51.54 C ATOM 0 H LEU A 22 -5.978 25.458 -10.414 1.00 30.22 H new ATOM 0 HA LEU A 22 -7.462 25.276 -12.792 1.00 71.14 H new ATOM 0 HB2 LEU A 22 -5.280 23.735 -11.430 1.00 54.32 H new ATOM 0 HB3 LEU A 22 -6.106 22.960 -12.768 1.00 54.32 H new ATOM 0 HG LEU A 22 -5.441 24.706 -14.293 1.00 64.33 H new ATOM 0 HD11 LEU A 22 -4.032 26.593 -13.574 1.00 75.15 H new ATOM 0 HD12 LEU A 22 -5.628 26.622 -12.786 1.00 75.15 H new ATOM 0 HD13 LEU A 22 -4.199 26.067 -11.882 1.00 75.15 H new ATOM 0 HD21 LEU A 22 -2.990 24.448 -14.206 1.00 51.54 H new ATOM 0 HD22 LEU A 22 -3.118 23.838 -12.539 1.00 51.54 H new ATOM 0 HD23 LEU A 22 -3.826 22.911 -13.883 1.00 51.54 H new ATOM 333 N ASP A 23 -8.354 23.229 -10.412 1.00 72.53 N ATOM 334 CA ASP A 23 -9.365 22.259 -10.007 1.00 31.14 C ATOM 335 C ASP A 23 -9.253 20.980 -10.831 1.00 55.32 C ATOM 336 O ASP A 23 -10.234 20.258 -11.012 1.00 62.32 O ATOM 337 CB ASP A 23 -10.765 22.857 -10.156 1.00 61.45 C ATOM 338 CG ASP A 23 -11.802 22.114 -9.337 1.00 52.04 C ATOM 339 OD1 ASP A 23 -11.676 22.097 -8.095 1.00 42.13 O ATOM 340 OD2 ASP A 23 -12.740 21.549 -9.939 1.00 31.05 O ATOM 0 H ASP A 23 -7.760 23.562 -9.652 1.00 72.53 H new ATOM 0 HA ASP A 23 -9.195 22.010 -8.960 1.00 31.14 H new ATOM 0 HB2 ASP A 23 -10.745 23.903 -9.849 1.00 61.45 H new ATOM 0 HB3 ASP A 23 -11.055 22.839 -11.207 1.00 61.45 H new ATOM 345 N LYS A 24 -8.053 20.707 -11.330 1.00 43.01 N ATOM 346 CA LYS A 24 -7.811 19.516 -12.136 1.00 33.14 C ATOM 347 C LYS A 24 -7.096 18.444 -11.320 1.00 63.44 C ATOM 348 O LYS A 24 -6.636 18.699 -10.207 1.00 72.40 O ATOM 349 CB LYS A 24 -6.981 19.871 -13.372 1.00 34.44 C ATOM 350 CG LYS A 24 -7.819 20.294 -14.566 1.00 12.13 C ATOM 351 CD LYS A 24 -8.256 19.097 -15.393 1.00 33.21 C ATOM 352 CE LYS A 24 -7.323 18.862 -16.571 1.00 3.44 C ATOM 353 NZ LYS A 24 -5.899 18.781 -16.142 1.00 61.50 N ATOM 0 H LYS A 24 -7.231 21.295 -11.190 1.00 43.01 H new ATOM 0 HA LYS A 24 -8.775 19.121 -12.456 1.00 33.14 H new ATOM 0 HB2 LYS A 24 -6.293 20.677 -13.118 1.00 34.44 H new ATOM 0 HB3 LYS A 24 -6.374 19.010 -13.651 1.00 34.44 H new ATOM 0 HG2 LYS A 24 -8.698 20.839 -14.220 1.00 12.13 H new ATOM 0 HG3 LYS A 24 -7.245 20.979 -15.190 1.00 12.13 H new ATOM 0 HD2 LYS A 24 -8.280 18.208 -14.763 1.00 33.21 H new ATOM 0 HD3 LYS A 24 -9.271 19.256 -15.758 1.00 33.21 H new ATOM 0 HE2 LYS A 24 -7.603 17.938 -17.078 1.00 3.44 H new ATOM 0 HE3 LYS A 24 -7.439 19.670 -17.294 1.00 3.44 H new ATOM 0 HZ1 LYS A 24 -5.310 18.487 -16.947 1.00 61.50 H new ATOM 0 HZ2 LYS A 24 -5.584 19.713 -15.805 1.00 61.50 H new ATOM 0 HZ3 LYS A 24 -5.807 18.086 -15.374 1.00 61.50 H new ATOM 367 N LYS A 25 -7.003 17.243 -11.882 1.00 52.13 N ATOM 368 CA LYS A 25 -6.341 16.132 -11.209 1.00 70.25 C ATOM 369 C LYS A 25 -4.949 15.898 -11.787 1.00 5.35 C ATOM 370 O LYS A 25 -4.765 15.890 -13.003 1.00 50.02 O ATOM 371 CB LYS A 25 -7.179 14.858 -11.340 1.00 22.25 C ATOM 372 CG LYS A 25 -8.217 14.698 -10.242 1.00 61.34 C ATOM 373 CD LYS A 25 -9.444 15.555 -10.506 1.00 64.21 C ATOM 374 CE LYS A 25 -10.257 15.019 -11.675 1.00 2.43 C ATOM 375 NZ LYS A 25 -11.698 15.373 -11.555 1.00 75.32 N ATOM 0 H LYS A 25 -7.378 17.015 -12.803 1.00 52.13 H new ATOM 0 HA LYS A 25 -6.240 16.387 -10.154 1.00 70.25 H new ATOM 0 HB2 LYS A 25 -7.682 14.862 -12.307 1.00 22.25 H new ATOM 0 HB3 LYS A 25 -6.515 13.994 -11.330 1.00 22.25 H new ATOM 0 HG2 LYS A 25 -8.512 13.651 -10.169 1.00 61.34 H new ATOM 0 HG3 LYS A 25 -7.779 14.974 -9.283 1.00 61.34 H new ATOM 0 HD2 LYS A 25 -10.067 15.586 -9.612 1.00 64.21 H new ATOM 0 HD3 LYS A 25 -9.136 16.579 -10.715 1.00 64.21 H new ATOM 0 HE2 LYS A 25 -9.861 15.420 -12.608 1.00 2.43 H new ATOM 0 HE3 LYS A 25 -10.152 13.935 -11.724 1.00 2.43 H new ATOM 0 HZ1 LYS A 25 -12.219 14.990 -12.370 1.00 75.32 H new ATOM 0 HZ2 LYS A 25 -12.083 14.969 -10.677 1.00 75.32 H new ATOM 0 HZ3 LYS A 25 -11.801 16.408 -11.534 1.00 75.32 H new ATOM 389 N GLU A 26 -3.972 15.708 -10.905 1.00 62.21 N ATOM 390 CA GLU A 26 -2.596 15.473 -11.329 1.00 13.42 C ATOM 391 C GLU A 26 -2.491 14.192 -12.150 1.00 70.24 C ATOM 392 O GLU A 26 -1.505 13.973 -12.855 1.00 35.30 O ATOM 393 CB GLU A 26 -1.672 15.390 -10.113 1.00 23.15 C ATOM 394 CG GLU A 26 -2.161 14.430 -9.041 1.00 1.32 C ATOM 395 CD GLU A 26 -2.107 12.982 -9.486 1.00 24.21 C ATOM 396 OE1 GLU A 26 -1.036 12.547 -9.959 1.00 43.13 O ATOM 397 OE2 GLU A 26 -3.134 12.283 -9.361 1.00 50.34 O ATOM 0 H GLU A 26 -4.107 15.712 -9.894 1.00 62.21 H new ATOM 0 HA GLU A 26 -2.287 16.311 -11.954 1.00 13.42 H new ATOM 0 HB2 GLU A 26 -0.680 15.080 -10.442 1.00 23.15 H new ATOM 0 HB3 GLU A 26 -1.567 16.384 -9.678 1.00 23.15 H new ATOM 0 HG2 GLU A 26 -1.554 14.553 -8.144 1.00 1.32 H new ATOM 0 HG3 GLU A 26 -3.186 14.685 -8.770 1.00 1.32 H new ATOM 404 N ASP A 27 -3.513 13.349 -12.054 1.00 31.31 N ATOM 405 CA ASP A 27 -3.537 12.089 -12.788 1.00 21.21 C ATOM 406 C ASP A 27 -4.063 12.295 -14.205 1.00 4.30 C ATOM 407 O ASP A 27 -4.356 11.333 -14.914 1.00 43.52 O ATOM 408 CB ASP A 27 -4.402 11.063 -12.054 1.00 60.22 C ATOM 409 CG ASP A 27 -4.287 9.675 -12.653 1.00 32.20 C ATOM 410 OD1 ASP A 27 -3.222 9.044 -12.488 1.00 52.22 O ATOM 411 OD2 ASP A 27 -5.262 9.219 -13.287 1.00 51.42 O ATOM 0 H ASP A 27 -4.336 13.515 -11.475 1.00 31.31 H new ATOM 0 HA ASP A 27 -2.515 11.714 -12.850 1.00 21.21 H new ATOM 0 HB2 ASP A 27 -4.108 11.028 -11.005 1.00 60.22 H new ATOM 0 HB3 ASP A 27 -5.444 11.383 -12.083 1.00 60.22 H new ATOM 416 N GLU A 28 -4.180 13.556 -14.609 1.00 42.34 N ATOM 417 CA GLU A 28 -4.672 13.888 -15.941 1.00 72.13 C ATOM 418 C GLU A 28 -3.554 13.791 -16.975 1.00 24.23 C ATOM 419 O GLU A 28 -3.754 14.093 -18.152 1.00 21.44 O ATOM 420 CB GLU A 28 -5.271 15.296 -15.952 1.00 5.20 C ATOM 421 CG GLU A 28 -6.689 15.359 -15.410 1.00 5.22 C ATOM 422 CD GLU A 28 -7.701 14.734 -16.350 1.00 40.50 C ATOM 423 OE1 GLU A 28 -7.999 15.351 -17.395 1.00 1.05 O ATOM 424 OE2 GLU A 28 -8.195 13.630 -16.042 1.00 13.13 O ATOM 0 H GLU A 28 -3.941 14.364 -14.034 1.00 42.34 H new ATOM 0 HA GLU A 28 -5.448 13.169 -16.202 1.00 72.13 H new ATOM 0 HB2 GLU A 28 -4.636 15.956 -15.362 1.00 5.20 H new ATOM 0 HB3 GLU A 28 -5.264 15.676 -16.973 1.00 5.20 H new ATOM 0 HG2 GLU A 28 -6.729 14.849 -14.448 1.00 5.22 H new ATOM 0 HG3 GLU A 28 -6.960 16.400 -15.231 1.00 5.22 H new ATOM 431 N ILE A 29 -2.377 13.369 -16.526 1.00 25.42 N ATOM 432 CA ILE A 29 -1.227 13.231 -17.411 1.00 5.32 C ATOM 433 C ILE A 29 -1.591 12.451 -18.669 1.00 53.01 C ATOM 434 O ILE A 29 -1.849 11.248 -18.615 1.00 63.10 O ATOM 435 CB ILE A 29 -0.054 12.526 -16.705 1.00 22.54 C ATOM 436 CG1 ILE A 29 0.377 13.318 -15.469 1.00 31.34 C ATOM 437 CG2 ILE A 29 1.115 12.352 -17.663 1.00 52.43 C ATOM 438 CD1 ILE A 29 0.879 14.709 -15.787 1.00 33.20 C ATOM 0 H ILE A 29 -2.195 13.117 -15.555 1.00 25.42 H new ATOM 0 HA ILE A 29 -0.920 14.240 -17.688 1.00 5.32 H new ATOM 0 HB ILE A 29 -0.385 11.538 -16.384 1.00 22.54 H new ATOM 0 HG12 ILE A 29 -0.467 13.393 -14.783 1.00 31.34 H new ATOM 0 HG13 ILE A 29 1.161 12.767 -14.950 1.00 31.34 H new ATOM 0 HG21 ILE A 29 1.936 11.852 -17.149 1.00 52.43 H new ATOM 0 HG22 ILE A 29 0.800 11.750 -18.515 1.00 52.43 H new ATOM 0 HG23 ILE A 29 1.448 13.329 -18.013 1.00 52.43 H new ATOM 0 HD11 ILE A 29 1.167 15.212 -14.864 1.00 33.20 H new ATOM 0 HD12 ILE A 29 1.743 14.642 -16.448 1.00 33.20 H new ATOM 0 HD13 ILE A 29 0.089 15.277 -16.279 1.00 33.20 H new ATOM 450 N THR A 30 -1.610 13.144 -19.804 1.00 32.42 N ATOM 451 CA THR A 30 -1.942 12.516 -21.077 1.00 15.43 C ATOM 452 C THR A 30 -1.577 13.421 -22.248 1.00 5.34 C ATOM 453 O THR A 30 -1.421 14.632 -22.086 1.00 4.13 O ATOM 454 CB THR A 30 -3.441 12.171 -21.158 1.00 54.14 C ATOM 455 OG1 THR A 30 -3.747 11.619 -22.444 1.00 35.34 O ATOM 456 CG2 THR A 30 -4.295 13.406 -20.915 1.00 54.33 C ATOM 0 H THR A 30 -1.399 14.140 -19.867 1.00 32.42 H new ATOM 0 HA THR A 30 -1.361 11.596 -21.137 1.00 15.43 H new ATOM 0 HB THR A 30 -3.665 11.437 -20.384 1.00 54.14 H new ATOM 0 HG1 THR A 30 -4.701 11.400 -22.488 1.00 35.34 H new ATOM 0 HG21 THR A 30 -5.349 13.137 -20.977 1.00 54.33 H new ATOM 0 HG22 THR A 30 -4.081 13.807 -19.925 1.00 54.33 H new ATOM 0 HG23 THR A 30 -4.068 14.160 -21.669 1.00 54.33 H new ATOM 464 N THR A 31 -1.441 12.827 -23.429 1.00 61.11 N ATOM 465 CA THR A 31 -1.093 13.579 -24.628 1.00 2.43 C ATOM 466 C THR A 31 -2.313 14.286 -25.207 1.00 1.53 C ATOM 467 O THR A 31 -2.194 15.097 -26.126 1.00 75.41 O ATOM 468 CB THR A 31 -0.483 12.666 -25.707 1.00 61.53 C ATOM 469 OG1 THR A 31 -0.149 13.434 -26.868 1.00 41.33 O ATOM 470 CG2 THR A 31 -1.452 11.557 -26.089 1.00 32.14 C ATOM 0 H THR A 31 -1.567 11.826 -23.581 1.00 61.11 H new ATOM 0 HA THR A 31 -0.353 14.322 -24.331 1.00 2.43 H new ATOM 0 HB THR A 31 0.421 12.213 -25.299 1.00 61.53 H new ATOM 0 HG1 THR A 31 -0.826 14.129 -27.006 1.00 41.33 H new ATOM 0 HG21 THR A 31 -0.999 10.925 -26.853 1.00 32.14 H new ATOM 0 HG22 THR A 31 -1.682 10.955 -25.209 1.00 32.14 H new ATOM 0 HG23 THR A 31 -2.371 11.995 -26.479 1.00 32.14 H new ATOM 478 N ASP A 32 -3.484 13.976 -24.663 1.00 33.23 N ATOM 479 CA ASP A 32 -4.727 14.583 -25.125 1.00 0.45 C ATOM 480 C ASP A 32 -5.144 15.730 -24.209 1.00 11.20 C ATOM 481 O ASP A 32 -6.306 16.136 -24.196 1.00 33.33 O ATOM 482 CB ASP A 32 -5.839 13.535 -25.189 1.00 0.41 C ATOM 483 CG ASP A 32 -6.862 13.842 -26.264 1.00 53.45 C ATOM 484 OD1 ASP A 32 -6.478 14.426 -27.299 1.00 11.40 O ATOM 485 OD2 ASP A 32 -8.048 13.499 -26.071 1.00 43.34 O ATOM 0 H ASP A 32 -3.599 13.308 -23.901 1.00 33.23 H new ATOM 0 HA ASP A 32 -4.558 14.983 -26.125 1.00 0.45 H new ATOM 0 HB2 ASP A 32 -5.400 12.555 -25.378 1.00 0.41 H new ATOM 0 HB3 ASP A 32 -6.338 13.480 -24.222 1.00 0.41 H new ATOM 490 N SER A 33 -4.188 16.248 -23.444 1.00 72.21 N ATOM 491 CA SER A 33 -4.457 17.345 -22.522 1.00 34.44 C ATOM 492 C SER A 33 -3.596 18.559 -22.855 1.00 25.42 C ATOM 493 O SER A 33 -4.107 19.660 -23.058 1.00 31.13 O ATOM 494 CB SER A 33 -4.199 16.902 -21.080 1.00 72.32 C ATOM 495 OG SER A 33 -5.329 16.238 -20.541 1.00 23.44 O ATOM 0 H SER A 33 -3.220 15.925 -23.445 1.00 72.21 H new ATOM 0 HA SER A 33 -5.505 17.626 -22.627 1.00 34.44 H new ATOM 0 HB2 SER A 33 -3.334 16.239 -21.049 1.00 72.32 H new ATOM 0 HB3 SER A 33 -3.957 17.770 -20.467 1.00 72.32 H new ATOM 0 HG SER A 33 -5.138 15.963 -19.620 1.00 23.44 H new ATOM 501 N ARG A 34 -2.284 18.348 -22.909 1.00 54.52 N ATOM 502 CA ARG A 34 -1.350 19.425 -23.216 1.00 72.23 C ATOM 503 C ARG A 34 -1.476 20.559 -22.203 1.00 42.24 C ATOM 504 O ARG A 34 -2.205 20.448 -21.218 1.00 33.30 O ATOM 505 CB ARG A 34 -1.599 19.958 -24.628 1.00 74.24 C ATOM 506 CG ARG A 34 -1.362 18.926 -25.719 1.00 52.33 C ATOM 507 CD ARG A 34 -1.532 19.531 -27.104 1.00 75.02 C ATOM 508 NE ARG A 34 -0.267 20.016 -27.649 1.00 13.10 N ATOM 509 CZ ARG A 34 0.642 19.227 -28.209 1.00 64.22 C ATOM 510 NH1 ARG A 34 0.428 17.921 -28.298 1.00 52.54 N ATOM 511 NH2 ARG A 34 1.770 19.743 -28.682 1.00 54.02 N ATOM 0 H ARG A 34 -1.845 17.442 -22.744 1.00 54.52 H new ATOM 0 HA ARG A 34 -0.339 19.022 -23.160 1.00 72.23 H new ATOM 0 HB2 ARG A 34 -2.626 20.317 -24.696 1.00 74.24 H new ATOM 0 HB3 ARG A 34 -0.949 20.816 -24.803 1.00 74.24 H new ATOM 0 HG2 ARG A 34 -0.357 18.515 -25.621 1.00 52.33 H new ATOM 0 HG3 ARG A 34 -2.059 18.097 -25.595 1.00 52.33 H new ATOM 0 HD2 ARG A 34 -1.954 18.784 -27.776 1.00 75.02 H new ATOM 0 HD3 ARG A 34 -2.245 20.354 -27.055 1.00 75.02 H new ATOM 0 HE ARG A 34 -0.071 21.016 -27.597 1.00 13.10 H new ATOM 0 HH11 ARG A 34 -0.437 17.520 -27.936 1.00 52.54 H new ATOM 0 HH12 ARG A 34 1.128 17.318 -28.729 1.00 52.54 H new ATOM 0 HH21 ARG A 34 1.939 20.747 -28.615 1.00 54.02 H new ATOM 0 HH22 ARG A 34 2.468 19.136 -29.112 1.00 54.02 H new ATOM 525 N PHE A 35 -0.759 21.650 -22.453 1.00 12.12 N ATOM 526 CA PHE A 35 -0.789 22.805 -21.562 1.00 60.53 C ATOM 527 C PHE A 35 -2.149 23.494 -21.611 1.00 52.11 C ATOM 528 O PHE A 35 -2.604 24.065 -20.620 1.00 53.41 O ATOM 529 CB PHE A 35 0.312 23.797 -21.942 1.00 23.43 C ATOM 530 CG PHE A 35 1.692 23.205 -21.899 1.00 44.51 C ATOM 531 CD1 PHE A 35 2.194 22.668 -20.725 1.00 21.13 C ATOM 532 CD2 PHE A 35 2.488 23.187 -23.033 1.00 72.24 C ATOM 533 CE1 PHE A 35 3.464 22.124 -20.683 1.00 0.13 C ATOM 534 CE2 PHE A 35 3.758 22.644 -22.998 1.00 25.25 C ATOM 535 CZ PHE A 35 4.247 22.111 -21.821 1.00 33.13 C ATOM 0 H PHE A 35 -0.151 21.759 -23.264 1.00 12.12 H new ATOM 0 HA PHE A 35 -0.616 22.453 -20.545 1.00 60.53 H new ATOM 0 HB2 PHE A 35 0.119 24.176 -22.946 1.00 23.43 H new ATOM 0 HB3 PHE A 35 0.270 24.651 -21.266 1.00 23.43 H new ATOM 0 HD1 PHE A 35 1.586 22.674 -19.832 1.00 21.13 H new ATOM 0 HD2 PHE A 35 2.111 23.603 -23.956 1.00 72.24 H new ATOM 0 HE1 PHE A 35 3.844 21.709 -19.761 1.00 0.13 H new ATOM 0 HE2 PHE A 35 4.368 22.636 -23.889 1.00 25.25 H new ATOM 0 HZ PHE A 35 5.239 21.685 -21.791 1.00 33.13 H new ATOM 545 N VAL A 36 -2.794 23.437 -22.772 1.00 63.13 N ATOM 546 CA VAL A 36 -4.102 24.055 -22.952 1.00 30.22 C ATOM 547 C VAL A 36 -5.112 23.503 -21.952 1.00 12.30 C ATOM 548 O VAL A 36 -5.827 24.260 -21.296 1.00 3.22 O ATOM 549 CB VAL A 36 -4.636 23.834 -24.379 1.00 71.45 C ATOM 550 CG1 VAL A 36 -3.836 24.651 -25.382 1.00 1.32 C ATOM 551 CG2 VAL A 36 -4.603 22.355 -24.737 1.00 42.52 C ATOM 0 H VAL A 36 -2.431 22.969 -23.602 1.00 63.13 H new ATOM 0 HA VAL A 36 -3.973 25.124 -22.782 1.00 30.22 H new ATOM 0 HB VAL A 36 -5.672 24.171 -24.416 1.00 71.45 H new ATOM 0 HG11 VAL A 36 -4.228 24.482 -26.385 1.00 1.32 H new ATOM 0 HG12 VAL A 36 -3.916 25.710 -25.135 1.00 1.32 H new ATOM 0 HG13 VAL A 36 -2.790 24.348 -25.346 1.00 1.32 H new ATOM 0 HG21 VAL A 36 -4.984 22.217 -25.749 1.00 42.52 H new ATOM 0 HG22 VAL A 36 -3.577 21.990 -24.682 1.00 42.52 H new ATOM 0 HG23 VAL A 36 -5.224 21.797 -24.036 1.00 42.52 H new ATOM 561 N GLU A 37 -5.165 22.180 -21.841 1.00 60.44 N ATOM 562 CA GLU A 37 -6.089 21.527 -20.921 1.00 24.11 C ATOM 563 C GLU A 37 -5.505 21.473 -19.512 1.00 20.40 C ATOM 564 O GLU A 37 -6.108 21.967 -18.559 1.00 71.23 O ATOM 565 CB GLU A 37 -6.412 20.112 -21.406 1.00 0.13 C ATOM 566 CG GLU A 37 -7.799 19.635 -21.009 1.00 51.13 C ATOM 567 CD GLU A 37 -8.895 20.570 -21.482 1.00 41.34 C ATOM 568 OE1 GLU A 37 -9.327 20.438 -22.647 1.00 2.24 O ATOM 569 OE2 GLU A 37 -9.321 21.434 -20.687 1.00 42.35 O ATOM 0 H GLU A 37 -4.579 21.539 -22.376 1.00 60.44 H new ATOM 0 HA GLU A 37 -7.008 22.112 -20.893 1.00 24.11 H new ATOM 0 HB2 GLU A 37 -6.323 20.080 -22.492 1.00 0.13 H new ATOM 0 HB3 GLU A 37 -5.671 19.421 -21.005 1.00 0.13 H new ATOM 0 HG2 GLU A 37 -7.970 18.642 -21.424 1.00 51.13 H new ATOM 0 HG3 GLU A 37 -7.850 19.541 -19.924 1.00 51.13 H new ATOM 576 N ASP A 38 -4.328 20.868 -19.388 1.00 55.24 N ATOM 577 CA ASP A 38 -3.662 20.749 -18.097 1.00 31.03 C ATOM 578 C ASP A 38 -3.342 22.125 -17.521 1.00 41.14 C ATOM 579 O ASP A 38 -3.881 22.518 -16.486 1.00 73.20 O ATOM 580 CB ASP A 38 -2.378 19.929 -18.235 1.00 35.11 C ATOM 581 CG ASP A 38 -1.635 19.791 -16.921 1.00 11.33 C ATOM 582 OD1 ASP A 38 -2.196 19.188 -15.982 1.00 10.23 O ATOM 583 OD2 ASP A 38 -0.492 20.286 -16.832 1.00 32.14 O ATOM 0 H ASP A 38 -3.816 20.453 -20.166 1.00 55.24 H new ATOM 0 HA ASP A 38 -4.339 20.237 -17.413 1.00 31.03 H new ATOM 0 HB2 ASP A 38 -2.623 18.938 -18.616 1.00 35.11 H new ATOM 0 HB3 ASP A 38 -1.726 20.401 -18.970 1.00 35.11 H new ATOM 588 N LEU A 39 -2.460 22.853 -18.198 1.00 75.11 N ATOM 589 CA LEU A 39 -2.067 24.186 -17.754 1.00 61.40 C ATOM 590 C LEU A 39 -3.171 25.201 -18.033 1.00 22.41 C ATOM 591 O LEU A 39 -4.155 24.893 -18.703 1.00 74.11 O ATOM 592 CB LEU A 39 -0.775 24.616 -18.451 1.00 22.03 C ATOM 593 CG LEU A 39 0.379 25.024 -17.533 1.00 75.24 C ATOM 594 CD1 LEU A 39 1.506 24.006 -17.609 1.00 43.43 C ATOM 595 CD2 LEU A 39 0.885 26.412 -17.898 1.00 34.11 C ATOM 0 H LEU A 39 -2.004 22.543 -19.056 1.00 75.11 H new ATOM 0 HA LEU A 39 -1.898 24.149 -16.678 1.00 61.40 H new ATOM 0 HB2 LEU A 39 -0.437 23.796 -19.084 1.00 22.03 H new ATOM 0 HB3 LEU A 39 -1.003 25.454 -19.110 1.00 22.03 H new ATOM 0 HG LEU A 39 0.011 25.052 -16.507 1.00 75.24 H new ATOM 0 HD11 LEU A 39 2.318 24.312 -16.950 1.00 43.43 H new ATOM 0 HD12 LEU A 39 1.135 23.029 -17.298 1.00 43.43 H new ATOM 0 HD13 LEU A 39 1.873 23.946 -18.633 1.00 43.43 H new ATOM 0 HD21 LEU A 39 1.706 26.686 -17.235 1.00 34.11 H new ATOM 0 HD22 LEU A 39 1.237 26.411 -18.930 1.00 34.11 H new ATOM 0 HD23 LEU A 39 0.076 27.134 -17.791 1.00 34.11 H new ATOM 607 N ASN A 40 -2.998 26.413 -17.515 1.00 62.53 N ATOM 608 CA ASN A 40 -3.979 27.474 -17.710 1.00 62.00 C ATOM 609 C ASN A 40 -3.473 28.505 -18.714 1.00 44.11 C ATOM 610 O ASN A 40 -3.799 29.688 -18.622 1.00 45.11 O ATOM 611 CB ASN A 40 -4.295 28.156 -16.377 1.00 63.23 C ATOM 612 CG ASN A 40 -3.074 28.809 -15.759 1.00 10.25 C ATOM 613 OD1 ASN A 40 -2.911 30.028 -15.819 1.00 63.12 O ATOM 614 ND2 ASN A 40 -2.209 27.999 -15.159 1.00 73.01 N ATOM 0 H ASN A 40 -2.188 26.684 -16.957 1.00 62.53 H new ATOM 0 HA ASN A 40 -4.890 27.024 -18.106 1.00 62.00 H new ATOM 0 HB2 ASN A 40 -5.068 28.909 -16.531 1.00 63.23 H new ATOM 0 HB3 ASN A 40 -4.701 27.420 -15.683 1.00 63.23 H new ATOM 0 HD21 ASN A 40 -1.369 28.381 -14.724 1.00 73.01 H new ATOM 0 HD22 ASN A 40 -2.384 26.995 -15.133 1.00 73.01 H new ATOM 621 N ALA A 41 -2.674 28.047 -19.673 1.00 33.01 N ATOM 622 CA ALA A 41 -2.125 28.928 -20.696 1.00 12.43 C ATOM 623 C ALA A 41 -1.840 28.164 -21.984 1.00 24.43 C ATOM 624 O ALA A 41 -2.148 26.977 -22.094 1.00 32.24 O ATOM 625 CB ALA A 41 -0.859 29.602 -20.188 1.00 21.23 C ATOM 0 H ALA A 41 -2.393 27.071 -19.762 1.00 33.01 H new ATOM 0 HA ALA A 41 -2.868 29.694 -20.917 1.00 12.43 H new ATOM 0 HB1 ALA A 41 -0.460 30.257 -20.962 1.00 21.23 H new ATOM 0 HB2 ALA A 41 -1.091 30.190 -19.300 1.00 21.23 H new ATOM 0 HB3 ALA A 41 -0.118 28.843 -19.937 1.00 21.23 H new ATOM 631 N ASP A 42 -1.250 28.851 -22.956 1.00 23.44 N ATOM 632 CA ASP A 42 -0.922 28.236 -24.237 1.00 31.53 C ATOM 633 C ASP A 42 0.580 27.998 -24.357 1.00 51.02 C ATOM 634 O ASP A 42 1.374 28.610 -23.643 1.00 64.13 O ATOM 635 CB ASP A 42 -1.406 29.118 -25.389 1.00 24.23 C ATOM 636 CG ASP A 42 -2.872 29.482 -25.263 1.00 61.11 C ATOM 637 OD1 ASP A 42 -3.701 28.561 -25.105 1.00 61.02 O ATOM 638 OD2 ASP A 42 -3.191 30.688 -25.322 1.00 25.31 O ATOM 0 H ASP A 42 -0.989 29.834 -22.881 1.00 23.44 H new ATOM 0 HA ASP A 42 -1.429 27.273 -24.290 1.00 31.53 H new ATOM 0 HB2 ASP A 42 -0.810 30.030 -25.420 1.00 24.23 H new ATOM 0 HB3 ASP A 42 -1.243 28.599 -26.333 1.00 24.23 H new ATOM 643 N SER A 43 0.962 27.105 -25.264 1.00 72.15 N ATOM 644 CA SER A 43 2.368 26.783 -25.475 1.00 63.42 C ATOM 645 C SER A 43 3.193 28.051 -25.671 1.00 53.34 C ATOM 646 O SER A 43 4.391 28.077 -25.389 1.00 24.23 O ATOM 647 CB SER A 43 2.527 25.865 -26.689 1.00 32.11 C ATOM 648 OG SER A 43 3.694 25.069 -26.578 1.00 1.23 O ATOM 0 H SER A 43 0.317 26.591 -25.865 1.00 72.15 H new ATOM 0 HA SER A 43 2.733 26.266 -24.587 1.00 63.42 H new ATOM 0 HB2 SER A 43 1.652 25.222 -26.779 1.00 32.11 H new ATOM 0 HB3 SER A 43 2.577 26.465 -27.598 1.00 32.11 H new ATOM 0 HG SER A 43 3.772 24.491 -27.365 1.00 1.23 H new ATOM 654 N LEU A 44 2.542 29.102 -26.158 1.00 2.54 N ATOM 655 CA LEU A 44 3.214 30.376 -26.393 1.00 14.14 C ATOM 656 C LEU A 44 3.969 30.831 -25.148 1.00 10.20 C ATOM 657 O LEU A 44 5.150 31.173 -25.217 1.00 32.24 O ATOM 658 CB LEU A 44 2.197 31.443 -26.805 1.00 23.54 C ATOM 659 CG LEU A 44 1.246 31.060 -27.939 1.00 51.30 C ATOM 660 CD1 LEU A 44 0.321 32.220 -28.274 1.00 0.23 C ATOM 661 CD2 LEU A 44 2.030 30.629 -29.170 1.00 31.42 C ATOM 0 H LEU A 44 1.551 29.097 -26.398 1.00 2.54 H new ATOM 0 HA LEU A 44 3.933 30.236 -27.201 1.00 14.14 H new ATOM 0 HB2 LEU A 44 1.601 31.705 -25.931 1.00 23.54 H new ATOM 0 HB3 LEU A 44 2.741 32.340 -27.101 1.00 23.54 H new ATOM 0 HG LEU A 44 0.637 30.219 -27.608 1.00 51.30 H new ATOM 0 HD11 LEU A 44 -0.349 31.929 -29.083 1.00 0.23 H new ATOM 0 HD12 LEU A 44 -0.266 32.483 -27.394 1.00 0.23 H new ATOM 0 HD13 LEU A 44 0.914 33.080 -28.585 1.00 0.23 H new ATOM 0 HD21 LEU A 44 1.337 30.360 -29.967 1.00 31.42 H new ATOM 0 HD22 LEU A 44 2.665 31.450 -29.503 1.00 31.42 H new ATOM 0 HD23 LEU A 44 2.651 29.768 -28.923 1.00 31.42 H new ATOM 673 N ASP A 45 3.281 30.831 -24.012 1.00 12.13 N ATOM 674 CA ASP A 45 3.887 31.241 -22.750 1.00 64.24 C ATOM 675 C ASP A 45 4.740 30.118 -22.168 1.00 2.24 C ATOM 676 O ASP A 45 5.633 30.362 -21.356 1.00 25.31 O ATOM 677 CB ASP A 45 2.806 31.649 -21.749 1.00 1.32 C ATOM 678 CG ASP A 45 3.253 32.780 -20.844 1.00 0.34 C ATOM 679 OD1 ASP A 45 4.159 32.554 -20.015 1.00 32.44 O ATOM 680 OD2 ASP A 45 2.696 33.892 -20.963 1.00 44.05 O ATOM 0 H ASP A 45 2.303 30.552 -23.939 1.00 12.13 H new ATOM 0 HA ASP A 45 4.531 32.098 -22.946 1.00 64.24 H new ATOM 0 HB2 ASP A 45 1.910 31.953 -22.290 1.00 1.32 H new ATOM 0 HB3 ASP A 45 2.534 30.786 -21.141 1.00 1.32 H new ATOM 685 N ILE A 46 4.458 28.889 -22.586 1.00 55.22 N ATOM 686 CA ILE A 46 5.199 27.730 -22.106 1.00 34.34 C ATOM 687 C ILE A 46 6.578 27.653 -22.751 1.00 71.43 C ATOM 688 O ILE A 46 7.510 27.084 -22.182 1.00 43.33 O ATOM 689 CB ILE A 46 4.439 26.420 -22.386 1.00 73.15 C ATOM 690 CG1 ILE A 46 3.029 26.485 -21.795 1.00 3.53 C ATOM 691 CG2 ILE A 46 5.202 25.232 -21.820 1.00 4.55 C ATOM 692 CD1 ILE A 46 3.010 26.539 -20.283 1.00 45.31 C ATOM 0 H ILE A 46 3.721 28.670 -23.257 1.00 55.22 H new ATOM 0 HA ILE A 46 5.311 27.852 -21.029 1.00 34.34 H new ATOM 0 HB ILE A 46 4.354 26.291 -23.465 1.00 73.15 H new ATOM 0 HG12 ILE A 46 2.519 27.364 -22.188 1.00 3.53 H new ATOM 0 HG13 ILE A 46 2.464 25.614 -22.127 1.00 3.53 H new ATOM 0 HG21 ILE A 46 4.651 24.314 -22.026 1.00 4.55 H new ATOM 0 HG22 ILE A 46 6.186 25.177 -22.285 1.00 4.55 H new ATOM 0 HG23 ILE A 46 5.316 25.352 -20.743 1.00 4.55 H new ATOM 0 HD11 ILE A 46 1.979 26.584 -19.933 1.00 45.31 H new ATOM 0 HD12 ILE A 46 3.491 25.647 -19.881 1.00 45.31 H new ATOM 0 HD13 ILE A 46 3.547 27.425 -19.944 1.00 45.31 H new ATOM 704 N TYR A 47 6.701 28.229 -23.942 1.00 13.24 N ATOM 705 CA TYR A 47 7.966 28.226 -24.666 1.00 23.44 C ATOM 706 C TYR A 47 9.106 28.708 -23.773 1.00 52.34 C ATOM 707 O TYR A 47 10.116 28.024 -23.614 1.00 72.11 O ATOM 708 CB TYR A 47 7.868 29.110 -25.910 1.00 65.41 C ATOM 709 CG TYR A 47 9.127 29.117 -26.748 1.00 60.21 C ATOM 710 CD1 TYR A 47 10.196 29.942 -26.424 1.00 45.30 C ATOM 711 CD2 TYR A 47 9.247 28.297 -27.864 1.00 12.22 C ATOM 712 CE1 TYR A 47 11.348 29.953 -27.187 1.00 72.44 C ATOM 713 CE2 TYR A 47 10.395 28.300 -28.632 1.00 71.21 C ATOM 714 CZ TYR A 47 11.442 29.130 -28.290 1.00 63.52 C ATOM 715 OH TYR A 47 12.588 29.136 -29.052 1.00 60.13 O ATOM 0 H TYR A 47 5.939 28.704 -24.426 1.00 13.24 H new ATOM 0 HA TYR A 47 8.178 27.202 -24.973 1.00 23.44 H new ATOM 0 HB2 TYR A 47 7.035 28.768 -26.524 1.00 65.41 H new ATOM 0 HB3 TYR A 47 7.640 30.131 -25.603 1.00 65.41 H new ATOM 0 HD1 TYR A 47 10.126 30.587 -25.560 1.00 45.30 H new ATOM 0 HD2 TYR A 47 8.429 27.646 -28.135 1.00 12.22 H new ATOM 0 HE1 TYR A 47 12.170 30.602 -26.921 1.00 72.44 H new ATOM 0 HE2 TYR A 47 10.472 27.656 -29.496 1.00 71.21 H new ATOM 0 HH TYR A 47 12.493 28.499 -29.791 1.00 60.13 H new ATOM 725 N GLU A 48 8.934 29.892 -23.194 1.00 10.32 N ATOM 726 CA GLU A 48 9.948 30.467 -22.318 1.00 13.45 C ATOM 727 C GLU A 48 10.075 29.659 -21.029 1.00 41.42 C ATOM 728 O GLU A 48 11.171 29.496 -20.491 1.00 40.11 O ATOM 729 CB GLU A 48 9.604 31.922 -21.989 1.00 32.45 C ATOM 730 CG GLU A 48 9.807 32.874 -23.155 1.00 32.10 C ATOM 731 CD GLU A 48 9.168 34.229 -22.920 1.00 21.03 C ATOM 732 OE1 GLU A 48 8.877 34.553 -21.750 1.00 11.24 O ATOM 733 OE2 GLU A 48 8.960 34.965 -23.907 1.00 11.32 O ATOM 0 H GLU A 48 8.103 30.471 -23.315 1.00 10.32 H new ATOM 0 HA GLU A 48 10.904 30.436 -22.842 1.00 13.45 H new ATOM 0 HB2 GLU A 48 8.565 31.976 -21.663 1.00 32.45 H new ATOM 0 HB3 GLU A 48 10.218 32.251 -21.151 1.00 32.45 H new ATOM 0 HG2 GLU A 48 10.875 33.006 -23.330 1.00 32.10 H new ATOM 0 HG3 GLU A 48 9.388 32.431 -24.058 1.00 32.10 H new ATOM 740 N LEU A 49 8.947 29.156 -20.540 1.00 3.54 N ATOM 741 CA LEU A 49 8.931 28.366 -19.314 1.00 21.51 C ATOM 742 C LEU A 49 9.940 27.224 -19.389 1.00 4.42 C ATOM 743 O LEU A 49 10.863 27.143 -18.577 1.00 43.20 O ATOM 744 CB LEU A 49 7.530 27.806 -19.063 1.00 55.30 C ATOM 745 CG LEU A 49 6.632 28.633 -18.141 1.00 61.14 C ATOM 746 CD1 LEU A 49 5.225 28.057 -18.109 1.00 60.32 C ATOM 747 CD2 LEU A 49 7.219 28.692 -16.738 1.00 75.05 C ATOM 0 H LEU A 49 8.032 29.281 -20.973 1.00 3.54 H new ATOM 0 HA LEU A 49 9.209 29.019 -18.487 1.00 21.51 H new ATOM 0 HB2 LEU A 49 7.027 27.696 -20.024 1.00 55.30 H new ATOM 0 HB3 LEU A 49 7.630 26.807 -18.639 1.00 55.30 H new ATOM 0 HG LEU A 49 6.577 29.648 -18.533 1.00 61.14 H new ATOM 0 HD11 LEU A 49 4.601 28.658 -17.448 1.00 60.32 H new ATOM 0 HD12 LEU A 49 4.804 28.068 -19.115 1.00 60.32 H new ATOM 0 HD13 LEU A 49 5.260 27.031 -17.741 1.00 60.32 H new ATOM 0 HD21 LEU A 49 6.567 29.284 -16.096 1.00 75.05 H new ATOM 0 HD22 LEU A 49 7.304 27.682 -16.336 1.00 75.05 H new ATOM 0 HD23 LEU A 49 8.207 29.152 -16.776 1.00 75.05 H new ATOM 759 N LEU A 50 9.760 26.346 -20.369 1.00 24.22 N ATOM 760 CA LEU A 50 10.657 25.210 -20.552 1.00 31.40 C ATOM 761 C LEU A 50 12.026 25.670 -21.042 1.00 22.21 C ATOM 762 O LEU A 50 13.058 25.167 -20.596 1.00 34.14 O ATOM 763 CB LEU A 50 10.055 24.215 -21.546 1.00 32.22 C ATOM 764 CG LEU A 50 9.499 24.811 -22.839 1.00 51.43 C ATOM 765 CD1 LEU A 50 10.356 24.402 -24.027 1.00 55.13 C ATOM 766 CD2 LEU A 50 8.054 24.381 -23.047 1.00 63.35 C ATOM 0 H LEU A 50 9.002 26.398 -21.049 1.00 24.22 H new ATOM 0 HA LEU A 50 10.783 24.719 -19.587 1.00 31.40 H new ATOM 0 HB2 LEU A 50 10.821 23.484 -21.806 1.00 32.22 H new ATOM 0 HB3 LEU A 50 9.253 23.672 -21.045 1.00 32.22 H new ATOM 0 HG LEU A 50 9.525 25.898 -22.756 1.00 51.43 H new ATOM 0 HD11 LEU A 50 9.945 24.836 -24.939 1.00 55.13 H new ATOM 0 HD12 LEU A 50 11.375 24.761 -23.882 1.00 55.13 H new ATOM 0 HD13 LEU A 50 10.363 23.315 -24.113 1.00 55.13 H new ATOM 0 HD21 LEU A 50 7.675 24.815 -23.972 1.00 63.35 H new ATOM 0 HD22 LEU A 50 8.003 23.294 -23.108 1.00 63.35 H new ATOM 0 HD23 LEU A 50 7.448 24.726 -22.209 1.00 63.35 H new ATOM 778 N TYR A 51 12.028 26.629 -21.960 1.00 41.52 N ATOM 779 CA TYR A 51 13.271 27.158 -22.511 1.00 34.30 C ATOM 780 C TYR A 51 14.214 27.604 -21.398 1.00 32.42 C ATOM 781 O TYR A 51 15.394 27.252 -21.390 1.00 23.01 O ATOM 782 CB TYR A 51 12.979 28.331 -23.448 1.00 63.13 C ATOM 783 CG TYR A 51 14.203 29.150 -23.792 1.00 61.41 C ATOM 784 CD1 TYR A 51 15.405 28.534 -24.119 1.00 42.02 C ATOM 785 CD2 TYR A 51 14.158 30.538 -23.789 1.00 11.12 C ATOM 786 CE1 TYR A 51 16.526 29.278 -24.433 1.00 62.24 C ATOM 787 CE2 TYR A 51 15.273 31.290 -24.103 1.00 65.21 C ATOM 788 CZ TYR A 51 16.455 30.655 -24.424 1.00 42.24 C ATOM 789 OH TYR A 51 17.569 31.400 -24.737 1.00 0.54 O ATOM 0 H TYR A 51 11.183 27.057 -22.339 1.00 41.52 H new ATOM 0 HA TYR A 51 13.756 26.362 -23.076 1.00 34.30 H new ATOM 0 HB2 TYR A 51 12.537 27.949 -24.368 1.00 63.13 H new ATOM 0 HB3 TYR A 51 12.237 28.980 -22.984 1.00 63.13 H new ATOM 0 HD1 TYR A 51 15.464 27.456 -24.128 1.00 42.02 H new ATOM 0 HD2 TYR A 51 13.235 31.038 -23.537 1.00 11.12 H new ATOM 0 HE1 TYR A 51 17.453 28.784 -24.684 1.00 62.24 H new ATOM 0 HE2 TYR A 51 15.220 32.369 -24.097 1.00 65.21 H new ATOM 0 HH TYR A 51 17.350 32.354 -24.685 1.00 0.54 H new ATOM 799 N LEU A 52 13.684 28.380 -20.459 1.00 25.34 N ATOM 800 CA LEU A 52 14.477 28.875 -19.338 1.00 64.55 C ATOM 801 C LEU A 52 14.750 27.762 -18.331 1.00 1.20 C ATOM 802 O LEU A 52 15.758 27.784 -17.623 1.00 52.50 O ATOM 803 CB LEU A 52 13.756 30.035 -18.651 1.00 43.31 C ATOM 804 CG LEU A 52 14.104 31.436 -19.158 1.00 34.41 C ATOM 805 CD1 LEU A 52 13.642 31.613 -20.596 1.00 71.50 C ATOM 806 CD2 LEU A 52 13.482 32.497 -18.262 1.00 35.43 C ATOM 0 H LEU A 52 12.709 28.680 -20.451 1.00 25.34 H new ATOM 0 HA LEU A 52 15.431 29.229 -19.728 1.00 64.55 H new ATOM 0 HB2 LEU A 52 12.682 29.886 -18.763 1.00 43.31 H new ATOM 0 HB3 LEU A 52 13.975 29.992 -17.584 1.00 43.31 H new ATOM 0 HG LEU A 52 15.187 31.554 -19.129 1.00 34.41 H new ATOM 0 HD11 LEU A 52 13.898 32.615 -20.940 1.00 71.50 H new ATOM 0 HD12 LEU A 52 14.134 30.875 -21.230 1.00 71.50 H new ATOM 0 HD13 LEU A 52 12.562 31.475 -20.651 1.00 71.50 H new ATOM 0 HD21 LEU A 52 13.740 33.487 -18.638 1.00 35.43 H new ATOM 0 HD22 LEU A 52 12.398 32.381 -18.259 1.00 35.43 H new ATOM 0 HD23 LEU A 52 13.862 32.384 -17.247 1.00 35.43 H new ATOM 818 N LEU A 53 13.847 26.789 -18.273 1.00 3.41 N ATOM 819 CA LEU A 53 13.991 25.666 -17.354 1.00 23.04 C ATOM 820 C LEU A 53 15.200 24.812 -17.722 1.00 42.03 C ATOM 821 O LEU A 53 16.040 24.511 -16.875 1.00 64.02 O ATOM 822 CB LEU A 53 12.725 24.808 -17.363 1.00 53.20 C ATOM 823 CG LEU A 53 11.854 24.883 -16.108 1.00 50.13 C ATOM 824 CD1 LEU A 53 11.580 26.332 -15.734 1.00 63.52 C ATOM 825 CD2 LEU A 53 10.549 24.129 -16.319 1.00 1.10 C ATOM 0 H LEU A 53 13.008 26.755 -18.852 1.00 3.41 H new ATOM 0 HA LEU A 53 14.144 26.067 -16.352 1.00 23.04 H new ATOM 0 HB2 LEU A 53 12.118 25.100 -18.220 1.00 53.20 H new ATOM 0 HB3 LEU A 53 13.016 23.769 -17.518 1.00 53.20 H new ATOM 0 HG LEU A 53 12.394 24.413 -15.286 1.00 50.13 H new ATOM 0 HD11 LEU A 53 10.959 26.366 -14.839 1.00 63.52 H new ATOM 0 HD12 LEU A 53 12.523 26.842 -15.540 1.00 63.52 H new ATOM 0 HD13 LEU A 53 11.061 26.828 -16.554 1.00 63.52 H new ATOM 0 HD21 LEU A 53 9.942 24.193 -15.416 1.00 1.10 H new ATOM 0 HD22 LEU A 53 10.005 24.570 -17.154 1.00 1.10 H new ATOM 0 HD23 LEU A 53 10.764 23.083 -16.538 1.00 1.10 H new ATOM 837 N GLU A 54 15.281 24.427 -18.992 1.00 44.22 N ATOM 838 CA GLU A 54 16.389 23.609 -19.472 1.00 51.24 C ATOM 839 C GLU A 54 17.718 24.339 -19.303 1.00 41.51 C ATOM 840 O GLU A 54 18.758 23.716 -19.094 1.00 71.45 O ATOM 841 CB GLU A 54 16.180 23.241 -20.943 1.00 2.50 C ATOM 842 CG GLU A 54 16.730 24.274 -21.913 1.00 24.14 C ATOM 843 CD GLU A 54 16.151 24.132 -23.307 1.00 13.35 C ATOM 844 OE1 GLU A 54 14.964 24.474 -23.492 1.00 51.43 O ATOM 845 OE2 GLU A 54 16.883 23.680 -24.211 1.00 73.51 O ATOM 0 H GLU A 54 14.594 24.668 -19.706 1.00 44.22 H new ATOM 0 HA GLU A 54 16.418 22.696 -18.877 1.00 51.24 H new ATOM 0 HB2 GLU A 54 16.656 22.280 -21.140 1.00 2.50 H new ATOM 0 HB3 GLU A 54 15.114 23.112 -21.129 1.00 2.50 H new ATOM 0 HG2 GLU A 54 16.515 25.273 -21.534 1.00 24.14 H new ATOM 0 HG3 GLU A 54 17.815 24.179 -21.963 1.00 24.14 H new ATOM 852 N GLU A 55 17.674 25.665 -19.395 1.00 64.14 N ATOM 853 CA GLU A 55 18.875 26.480 -19.254 1.00 23.11 C ATOM 854 C GLU A 55 19.451 26.361 -17.845 1.00 55.15 C ATOM 855 O GLU A 55 20.664 26.430 -17.651 1.00 53.42 O ATOM 856 CB GLU A 55 18.564 27.945 -19.568 1.00 23.22 C ATOM 857 CG GLU A 55 19.790 28.843 -19.559 1.00 62.54 C ATOM 858 CD GLU A 55 20.397 29.015 -20.938 1.00 75.15 C ATOM 859 OE1 GLU A 55 20.045 28.229 -21.843 1.00 74.10 O ATOM 860 OE2 GLU A 55 21.223 29.935 -21.113 1.00 74.23 O ATOM 0 H GLU A 55 16.821 26.197 -19.566 1.00 64.14 H new ATOM 0 HA GLU A 55 19.617 26.114 -19.963 1.00 23.11 H new ATOM 0 HB2 GLU A 55 18.087 28.005 -20.546 1.00 23.22 H new ATOM 0 HB3 GLU A 55 17.845 28.319 -18.840 1.00 23.22 H new ATOM 0 HG2 GLU A 55 19.517 29.821 -19.162 1.00 62.54 H new ATOM 0 HG3 GLU A 55 20.538 28.423 -18.886 1.00 62.54 H new ATOM 867 N ALA A 56 18.570 26.183 -16.866 1.00 70.42 N ATOM 868 CA ALA A 56 18.989 26.053 -15.476 1.00 62.22 C ATOM 869 C ALA A 56 19.665 24.708 -15.230 1.00 5.40 C ATOM 870 O ALA A 56 20.404 24.542 -14.259 1.00 10.30 O ATOM 871 CB ALA A 56 17.797 26.224 -14.547 1.00 75.21 C ATOM 0 H ALA A 56 17.562 26.126 -17.010 1.00 70.42 H new ATOM 0 HA ALA A 56 19.715 26.839 -15.266 1.00 62.22 H new ATOM 0 HB1 ALA A 56 18.125 26.124 -13.512 1.00 75.21 H new ATOM 0 HB2 ALA A 56 17.359 27.211 -14.695 1.00 75.21 H new ATOM 0 HB3 ALA A 56 17.052 25.459 -14.767 1.00 75.21 H new ATOM 877 N PHE A 57 19.408 23.751 -16.115 1.00 20.02 N ATOM 878 CA PHE A 57 19.991 22.420 -15.992 1.00 71.13 C ATOM 879 C PHE A 57 21.058 22.193 -17.059 1.00 5.43 C ATOM 880 O PHE A 57 21.750 21.175 -17.053 1.00 45.12 O ATOM 881 CB PHE A 57 18.903 21.351 -16.109 1.00 34.32 C ATOM 882 CG PHE A 57 17.625 21.717 -15.409 1.00 21.10 C ATOM 883 CD1 PHE A 57 17.649 22.258 -14.133 1.00 71.54 C ATOM 884 CD2 PHE A 57 16.400 21.521 -16.027 1.00 5.22 C ATOM 885 CE1 PHE A 57 16.475 22.595 -13.487 1.00 32.40 C ATOM 886 CE2 PHE A 57 15.223 21.857 -15.385 1.00 71.24 C ATOM 887 CZ PHE A 57 15.260 22.395 -14.114 1.00 44.22 C ATOM 0 H PHE A 57 18.800 23.872 -16.925 1.00 20.02 H new ATOM 0 HA PHE A 57 20.461 22.346 -15.011 1.00 71.13 H new ATOM 0 HB2 PHE A 57 18.692 21.173 -17.163 1.00 34.32 H new ATOM 0 HB3 PHE A 57 19.279 20.415 -15.696 1.00 34.32 H new ATOM 0 HD1 PHE A 57 18.596 22.418 -13.638 1.00 71.54 H new ATOM 0 HD2 PHE A 57 16.365 21.101 -17.021 1.00 5.22 H new ATOM 0 HE1 PHE A 57 16.507 23.015 -12.492 1.00 32.40 H new ATOM 0 HE2 PHE A 57 14.275 21.699 -15.877 1.00 71.24 H new ATOM 0 HZ PHE A 57 14.341 22.659 -13.611 1.00 44.22 H new ATOM 897 N ASP A 58 21.185 23.149 -17.972 1.00 44.24 N ATOM 898 CA ASP A 58 22.168 23.056 -19.046 1.00 23.54 C ATOM 899 C ASP A 58 21.921 21.818 -19.903 1.00 11.03 C ATOM 900 O ASP A 58 22.668 20.842 -19.832 1.00 0.13 O ATOM 901 CB ASP A 58 23.584 23.016 -18.468 1.00 12.15 C ATOM 902 CG ASP A 58 24.650 23.099 -19.542 1.00 4.13 C ATOM 903 OD1 ASP A 58 24.497 23.922 -20.469 1.00 13.13 O ATOM 904 OD2 ASP A 58 25.639 22.342 -19.455 1.00 63.20 O ATOM 0 H ASP A 58 20.620 23.998 -17.990 1.00 44.24 H new ATOM 0 HA ASP A 58 22.065 23.939 -19.676 1.00 23.54 H new ATOM 0 HB2 ASP A 58 23.711 23.843 -17.769 1.00 12.15 H new ATOM 0 HB3 ASP A 58 23.716 22.095 -17.900 1.00 12.15 H new ATOM 909 N ASP A 59 20.868 21.865 -20.711 1.00 14.43 N ATOM 910 CA ASP A 59 20.521 20.748 -21.582 1.00 2.33 C ATOM 911 C ASP A 59 19.522 21.182 -22.650 1.00 31.52 C ATOM 912 O ASP A 59 18.567 21.905 -22.366 1.00 2.25 O ATOM 913 CB ASP A 59 19.942 19.595 -20.761 1.00 73.23 C ATOM 914 CG ASP A 59 20.981 18.543 -20.426 1.00 40.24 C ATOM 915 OD1 ASP A 59 21.757 18.168 -21.329 1.00 44.25 O ATOM 916 OD2 ASP A 59 21.018 18.095 -19.261 1.00 74.52 O ATOM 0 H ASP A 59 20.239 22.665 -20.781 1.00 14.43 H new ATOM 0 HA ASP A 59 21.430 20.409 -22.078 1.00 2.33 H new ATOM 0 HB2 ASP A 59 19.517 19.988 -19.838 1.00 73.23 H new ATOM 0 HB3 ASP A 59 19.126 19.132 -21.316 1.00 73.23 H new ATOM 921 N LYS A 60 19.748 20.735 -23.881 1.00 5.04 N ATOM 922 CA LYS A 60 18.869 21.075 -24.993 1.00 11.55 C ATOM 923 C LYS A 60 17.539 20.337 -24.880 1.00 11.31 C ATOM 924 O LYS A 60 17.508 19.117 -24.720 1.00 74.30 O ATOM 925 CB LYS A 60 19.542 20.736 -26.324 1.00 73.34 C ATOM 926 CG LYS A 60 20.636 21.712 -26.720 1.00 13.52 C ATOM 927 CD LYS A 60 20.060 22.968 -27.354 1.00 21.41 C ATOM 928 CE LYS A 60 21.063 24.111 -27.338 1.00 24.34 C ATOM 929 NZ LYS A 60 20.486 25.364 -27.898 1.00 71.44 N ATOM 0 H LYS A 60 20.534 20.136 -24.133 1.00 5.04 H new ATOM 0 HA LYS A 60 18.674 22.147 -24.955 1.00 11.55 H new ATOM 0 HB2 LYS A 60 19.966 19.734 -26.262 1.00 73.34 H new ATOM 0 HB3 LYS A 60 18.786 20.714 -27.108 1.00 73.34 H new ATOM 0 HG2 LYS A 60 21.220 21.982 -25.840 1.00 13.52 H new ATOM 0 HG3 LYS A 60 21.319 21.230 -27.420 1.00 13.52 H new ATOM 0 HD2 LYS A 60 19.765 22.756 -28.382 1.00 21.41 H new ATOM 0 HD3 LYS A 60 19.158 23.266 -26.819 1.00 21.41 H new ATOM 0 HE2 LYS A 60 21.394 24.289 -26.315 1.00 24.34 H new ATOM 0 HE3 LYS A 60 21.945 23.828 -27.913 1.00 24.34 H new ATOM 0 HZ1 LYS A 60 21.201 26.119 -27.869 1.00 71.44 H new ATOM 0 HZ2 LYS A 60 20.193 25.202 -28.883 1.00 71.44 H new ATOM 0 HZ3 LYS A 60 19.660 25.648 -27.334 1.00 71.44 H new ATOM 943 N ILE A 61 16.444 21.085 -24.966 1.00 35.52 N ATOM 944 CA ILE A 61 15.111 20.500 -24.876 1.00 64.31 C ATOM 945 C ILE A 61 14.745 19.767 -26.162 1.00 61.21 C ATOM 946 O ILE A 61 14.445 18.573 -26.162 1.00 35.14 O ATOM 947 CB ILE A 61 14.044 21.572 -24.588 1.00 21.14 C ATOM 948 CG1 ILE A 61 13.930 21.817 -23.082 1.00 1.04 C ATOM 949 CG2 ILE A 61 12.701 21.151 -25.164 1.00 72.44 C ATOM 950 CD1 ILE A 61 13.110 20.771 -22.360 1.00 12.14 C ATOM 0 H ILE A 61 16.453 22.096 -25.098 1.00 35.52 H new ATOM 0 HA ILE A 61 15.133 19.790 -24.049 1.00 64.31 H new ATOM 0 HB ILE A 61 14.347 22.503 -25.067 1.00 21.14 H new ATOM 0 HG12 ILE A 61 14.930 21.845 -22.650 1.00 1.04 H new ATOM 0 HG13 ILE A 61 13.483 22.797 -22.914 1.00 1.04 H new ATOM 0 HG21 ILE A 61 11.957 21.919 -24.952 1.00 72.44 H new ATOM 0 HG22 ILE A 61 12.792 21.022 -26.242 1.00 72.44 H new ATOM 0 HG23 ILE A 61 12.390 20.210 -24.711 1.00 72.44 H new ATOM 0 HD11 ILE A 61 13.072 21.008 -21.297 1.00 12.14 H new ATOM 0 HD12 ILE A 61 12.098 20.758 -22.765 1.00 12.14 H new ATOM 0 HD13 ILE A 61 13.568 19.791 -22.497 1.00 12.14 H new ATOM 962 N PRO A 62 14.772 20.497 -27.287 1.00 73.42 N ATOM 963 CA PRO A 62 14.447 19.936 -28.602 1.00 45.13 C ATOM 964 C PRO A 62 15.510 18.960 -29.094 1.00 63.43 C ATOM 965 O PRO A 62 15.375 18.370 -30.166 1.00 21.34 O ATOM 966 CB PRO A 62 14.392 21.168 -29.509 1.00 63.02 C ATOM 967 CG PRO A 62 15.265 22.172 -28.838 1.00 65.54 C ATOM 968 CD PRO A 62 15.121 21.925 -27.362 1.00 50.21 C ATOM 0 HA PRO A 62 13.521 19.362 -28.583 1.00 45.13 H new ATOM 0 HB2 PRO A 62 14.752 20.938 -30.512 1.00 63.02 H new ATOM 0 HB3 PRO A 62 13.372 21.537 -29.614 1.00 63.02 H new ATOM 0 HG2 PRO A 62 16.302 22.060 -29.153 1.00 65.54 H new ATOM 0 HG3 PRO A 62 14.962 23.187 -29.095 1.00 65.54 H new ATOM 0 HD2 PRO A 62 16.045 22.141 -26.826 1.00 50.21 H new ATOM 0 HD3 PRO A 62 14.345 22.552 -26.924 1.00 50.21 H new ATOM 976 N GLU A 63 16.567 18.794 -28.304 1.00 75.02 N ATOM 977 CA GLU A 63 17.652 17.888 -28.661 1.00 42.42 C ATOM 978 C GLU A 63 17.665 16.667 -27.747 1.00 74.30 C ATOM 979 O GLU A 63 17.450 15.541 -28.195 1.00 3.21 O ATOM 980 CB GLU A 63 18.998 18.613 -28.581 1.00 34.12 C ATOM 981 CG GLU A 63 20.010 18.132 -29.607 1.00 11.40 C ATOM 982 CD GLU A 63 19.820 18.784 -30.963 1.00 71.52 C ATOM 983 OE1 GLU A 63 20.224 19.955 -31.120 1.00 14.02 O ATOM 984 OE2 GLU A 63 19.268 18.123 -31.867 1.00 73.52 O ATOM 0 H GLU A 63 16.694 19.275 -27.414 1.00 75.02 H new ATOM 0 HA GLU A 63 17.488 17.552 -29.685 1.00 42.42 H new ATOM 0 HB2 GLU A 63 18.834 19.682 -28.718 1.00 34.12 H new ATOM 0 HB3 GLU A 63 19.414 18.480 -27.582 1.00 34.12 H new ATOM 0 HG2 GLU A 63 21.017 18.341 -29.245 1.00 11.40 H new ATOM 0 HG3 GLU A 63 19.928 17.050 -29.713 1.00 11.40 H new ATOM 991 N ASN A 64 17.918 16.898 -26.463 1.00 51.30 N ATOM 992 CA ASN A 64 17.960 15.817 -25.485 1.00 52.11 C ATOM 993 C ASN A 64 16.551 15.380 -25.097 1.00 14.24 C ATOM 994 O ASN A 64 16.158 14.238 -25.330 1.00 64.52 O ATOM 995 CB ASN A 64 18.731 16.258 -24.239 1.00 72.12 C ATOM 996 CG ASN A 64 20.024 16.972 -24.582 1.00 70.01 C ATOM 997 OD1 ASN A 64 20.666 16.668 -25.588 1.00 11.32 O ATOM 998 ND2 ASN A 64 20.412 17.927 -23.745 1.00 24.21 N ATOM 0 H ASN A 64 18.097 17.824 -26.075 1.00 51.30 H new ATOM 0 HA ASN A 64 18.472 14.969 -25.939 1.00 52.11 H new ATOM 0 HB2 ASN A 64 18.103 16.918 -23.641 1.00 72.12 H new ATOM 0 HB3 ASN A 64 18.953 15.385 -23.625 1.00 72.12 H new ATOM 0 HD21 ASN A 64 21.274 18.442 -23.924 1.00 24.21 H new ATOM 0 HD22 ASN A 64 19.848 18.145 -22.923 1.00 24.21 H new ATOM 1005 N GLU A 65 15.795 16.299 -24.503 1.00 75.41 N ATOM 1006 CA GLU A 65 14.429 16.007 -24.082 1.00 41.44 C ATOM 1007 C GLU A 65 13.579 15.557 -25.267 1.00 0.10 C ATOM 1008 O GLU A 65 12.562 14.885 -25.095 1.00 44.22 O ATOM 1009 CB GLU A 65 13.800 17.239 -23.428 1.00 12.10 C ATOM 1010 CG GLU A 65 14.524 17.699 -22.174 1.00 43.32 C ATOM 1011 CD GLU A 65 13.576 18.009 -21.033 1.00 35.24 C ATOM 1012 OE1 GLU A 65 12.368 18.185 -21.297 1.00 73.10 O ATOM 1013 OE2 GLU A 65 14.040 18.075 -19.876 1.00 2.35 O ATOM 0 H GLU A 65 16.105 17.250 -24.303 1.00 75.41 H new ATOM 0 HA GLU A 65 14.465 15.196 -23.354 1.00 41.44 H new ATOM 0 HB2 GLU A 65 13.786 18.056 -24.150 1.00 12.10 H new ATOM 0 HB3 GLU A 65 12.763 17.017 -23.178 1.00 12.10 H new ATOM 0 HG2 GLU A 65 15.224 16.925 -21.859 1.00 43.32 H new ATOM 0 HG3 GLU A 65 15.112 18.587 -22.404 1.00 43.32 H new ATOM 1020 N ALA A 66 14.003 15.933 -26.469 1.00 3.00 N ATOM 1021 CA ALA A 66 13.283 15.567 -27.682 1.00 40.32 C ATOM 1022 C ALA A 66 13.296 14.057 -27.895 1.00 3.35 C ATOM 1023 O ALA A 66 12.553 13.531 -28.721 1.00 71.13 O ATOM 1024 CB ALA A 66 13.884 16.277 -28.887 1.00 34.12 C ATOM 0 H ALA A 66 14.842 16.491 -26.629 1.00 3.00 H new ATOM 0 HA ALA A 66 12.246 15.882 -27.568 1.00 40.32 H new ATOM 0 HB1 ALA A 66 13.337 15.994 -29.786 1.00 34.12 H new ATOM 0 HB2 ALA A 66 13.816 17.356 -28.745 1.00 34.12 H new ATOM 0 HB3 ALA A 66 14.930 15.990 -28.994 1.00 34.12 H new ATOM 1030 N ASN A 67 14.147 13.366 -27.143 1.00 0.22 N ATOM 1031 CA ASN A 67 14.258 11.916 -27.250 1.00 72.11 C ATOM 1032 C ASN A 67 12.929 11.243 -26.919 1.00 61.04 C ATOM 1033 O ASN A 67 12.630 10.159 -27.420 1.00 1.34 O ATOM 1034 CB ASN A 67 15.352 11.397 -26.315 1.00 71.42 C ATOM 1035 CG ASN A 67 16.667 11.169 -27.035 1.00 3.22 C ATOM 1036 OD1 ASN A 67 17.721 11.614 -26.580 1.00 43.54 O ATOM 1037 ND2 ASN A 67 16.611 10.473 -28.164 1.00 50.02 N ATOM 0 H ASN A 67 14.769 13.787 -26.453 1.00 0.22 H new ATOM 0 HA ASN A 67 14.523 11.672 -28.279 1.00 72.11 H new ATOM 0 HB2 ASN A 67 15.503 12.111 -25.505 1.00 71.42 H new ATOM 0 HB3 ASN A 67 15.024 10.463 -25.859 1.00 71.42 H new ATOM 0 HD21 ASN A 67 17.464 10.288 -28.692 1.00 50.02 H new ATOM 0 HD22 ASN A 67 15.715 10.123 -28.504 1.00 50.02 H new ATOM 1044 N GLU A 68 12.136 11.894 -26.074 1.00 3.21 N ATOM 1045 CA GLU A 68 10.840 11.358 -25.677 1.00 13.13 C ATOM 1046 C GLU A 68 9.883 12.481 -25.288 1.00 14.21 C ATOM 1047 O GLU A 68 9.155 12.378 -24.300 1.00 5.13 O ATOM 1048 CB GLU A 68 11.002 10.384 -24.508 1.00 1.01 C ATOM 1049 CG GLU A 68 10.042 9.207 -24.558 1.00 42.25 C ATOM 1050 CD GLU A 68 10.325 8.177 -23.482 1.00 62.15 C ATOM 1051 OE1 GLU A 68 10.397 8.561 -22.297 1.00 15.05 O ATOM 1052 OE2 GLU A 68 10.475 6.986 -23.827 1.00 71.12 O ATOM 0 H GLU A 68 12.368 12.793 -25.652 1.00 3.21 H new ATOM 0 HA GLU A 68 10.420 10.824 -26.530 1.00 13.13 H new ATOM 0 HB2 GLU A 68 12.025 10.007 -24.499 1.00 1.01 H new ATOM 0 HB3 GLU A 68 10.853 10.924 -23.573 1.00 1.01 H new ATOM 0 HG2 GLU A 68 9.021 9.571 -24.447 1.00 42.25 H new ATOM 0 HG3 GLU A 68 10.107 8.732 -25.537 1.00 42.25 H new ATOM 1059 N PHE A 69 9.889 13.554 -26.072 1.00 40.01 N ATOM 1060 CA PHE A 69 9.023 14.698 -25.810 1.00 22.21 C ATOM 1061 C PHE A 69 7.802 14.676 -26.724 1.00 52.23 C ATOM 1062 O PHE A 69 7.879 14.230 -27.868 1.00 53.14 O ATOM 1063 CB PHE A 69 9.796 16.004 -26.003 1.00 51.21 C ATOM 1064 CG PHE A 69 9.749 16.911 -24.807 1.00 15.31 C ATOM 1065 CD1 PHE A 69 9.920 16.404 -23.529 1.00 40.00 C ATOM 1066 CD2 PHE A 69 9.532 18.271 -24.960 1.00 52.23 C ATOM 1067 CE1 PHE A 69 9.877 17.236 -22.426 1.00 43.00 C ATOM 1068 CE2 PHE A 69 9.489 19.108 -23.861 1.00 54.03 C ATOM 1069 CZ PHE A 69 9.660 18.590 -22.593 1.00 22.35 C ATOM 0 H PHE A 69 10.484 13.655 -26.894 1.00 40.01 H new ATOM 0 HA PHE A 69 8.682 14.635 -24.777 1.00 22.21 H new ATOM 0 HB2 PHE A 69 10.836 15.771 -26.231 1.00 51.21 H new ATOM 0 HB3 PHE A 69 9.391 16.533 -26.866 1.00 51.21 H new ATOM 0 HD1 PHE A 69 10.089 15.346 -23.393 1.00 40.00 H new ATOM 0 HD2 PHE A 69 9.395 18.682 -25.949 1.00 52.23 H new ATOM 0 HE1 PHE A 69 10.013 16.828 -21.435 1.00 43.00 H new ATOM 0 HE2 PHE A 69 9.322 20.167 -23.994 1.00 54.03 H new ATOM 0 HZ PHE A 69 9.624 19.242 -21.733 1.00 22.35 H new ATOM 1079 N GLU A 70 6.676 15.161 -26.210 1.00 0.04 N ATOM 1080 CA GLU A 70 5.438 15.196 -26.979 1.00 70.13 C ATOM 1081 C GLU A 70 4.409 16.106 -26.314 1.00 22.31 C ATOM 1082 O GLU A 70 3.898 17.041 -26.931 1.00 72.43 O ATOM 1083 CB GLU A 70 4.865 13.785 -27.130 1.00 43.13 C ATOM 1084 CG GLU A 70 3.763 13.684 -28.171 1.00 60.21 C ATOM 1085 CD GLU A 70 4.278 13.233 -29.524 1.00 51.03 C ATOM 1086 OE1 GLU A 70 5.018 12.228 -29.572 1.00 34.30 O ATOM 1087 OE2 GLU A 70 3.942 13.885 -30.535 1.00 30.12 O ATOM 0 H GLU A 70 6.596 15.535 -25.264 1.00 0.04 H new ATOM 0 HA GLU A 70 5.666 15.596 -27.967 1.00 70.13 H new ATOM 0 HB2 GLU A 70 5.671 13.102 -27.398 1.00 43.13 H new ATOM 0 HB3 GLU A 70 4.475 13.455 -26.167 1.00 43.13 H new ATOM 0 HG2 GLU A 70 3.003 12.984 -27.824 1.00 60.21 H new ATOM 0 HG3 GLU A 70 3.278 14.654 -28.276 1.00 60.21 H new ATOM 1094 N THR A 71 4.109 15.825 -25.049 1.00 64.15 N ATOM 1095 CA THR A 71 3.141 16.615 -24.300 1.00 1.30 C ATOM 1096 C THR A 71 3.598 16.823 -22.860 1.00 55.14 C ATOM 1097 O THR A 71 4.682 16.387 -22.473 1.00 74.21 O ATOM 1098 CB THR A 71 1.753 15.947 -24.295 1.00 65.41 C ATOM 1099 OG1 THR A 71 1.864 14.592 -23.846 1.00 22.44 O ATOM 1100 CG2 THR A 71 1.134 15.976 -25.684 1.00 14.40 C ATOM 0 H THR A 71 4.523 15.056 -24.523 1.00 64.15 H new ATOM 0 HA THR A 71 3.068 17.581 -24.799 1.00 1.30 H new ATOM 0 HB THR A 71 1.108 16.504 -23.615 1.00 65.41 H new ATOM 0 HG1 THR A 71 1.456 14.507 -22.959 1.00 22.44 H new ATOM 0 HG21 THR A 71 0.154 15.499 -25.656 1.00 14.40 H new ATOM 0 HG22 THR A 71 1.025 17.010 -26.012 1.00 14.40 H new ATOM 0 HG23 THR A 71 1.779 15.440 -26.381 1.00 14.40 H new ATOM 1108 N VAL A 72 2.763 17.492 -22.071 1.00 22.24 N ATOM 1109 CA VAL A 72 3.081 17.756 -20.672 1.00 74.13 C ATOM 1110 C VAL A 72 3.469 16.473 -19.945 1.00 51.42 C ATOM 1111 O VAL A 72 4.435 16.447 -19.184 1.00 40.10 O ATOM 1112 CB VAL A 72 1.892 18.408 -19.941 1.00 5.24 C ATOM 1113 CG1 VAL A 72 2.298 18.834 -18.538 1.00 11.31 C ATOM 1114 CG2 VAL A 72 1.364 19.593 -20.735 1.00 12.02 C ATOM 0 H VAL A 72 1.862 17.861 -22.376 1.00 22.24 H new ATOM 0 HA VAL A 72 3.926 18.444 -20.663 1.00 74.13 H new ATOM 0 HB VAL A 72 1.092 17.673 -19.855 1.00 5.24 H new ATOM 0 HG11 VAL A 72 1.446 19.293 -18.036 1.00 11.31 H new ATOM 0 HG12 VAL A 72 2.625 17.961 -17.973 1.00 11.31 H new ATOM 0 HG13 VAL A 72 3.114 19.554 -18.598 1.00 11.31 H new ATOM 0 HG21 VAL A 72 0.524 20.042 -20.204 1.00 12.02 H new ATOM 0 HG22 VAL A 72 2.155 20.333 -20.854 1.00 12.02 H new ATOM 0 HG23 VAL A 72 1.033 19.255 -21.717 1.00 12.02 H new ATOM 1124 N GLY A 73 2.708 15.409 -20.186 1.00 5.52 N ATOM 1125 CA GLY A 73 2.989 14.137 -19.547 1.00 1.24 C ATOM 1126 C GLY A 73 4.446 13.737 -19.666 1.00 43.31 C ATOM 1127 O GLY A 73 5.021 13.173 -18.735 1.00 15.14 O ATOM 0 H GLY A 73 1.903 15.406 -20.812 1.00 5.52 H new ATOM 0 HA2 GLY A 73 2.717 14.195 -18.493 1.00 1.24 H new ATOM 0 HA3 GLY A 73 2.365 13.363 -19.995 1.00 1.24 H new ATOM 1131 N ASP A 74 5.046 14.028 -20.815 1.00 54.24 N ATOM 1132 CA ASP A 74 6.445 13.695 -21.054 1.00 20.41 C ATOM 1133 C ASP A 74 7.359 14.487 -20.124 1.00 54.44 C ATOM 1134 O ASP A 74 8.346 13.962 -19.611 1.00 22.34 O ATOM 1135 CB ASP A 74 6.816 13.971 -22.512 1.00 1.03 C ATOM 1136 CG ASP A 74 6.086 13.059 -23.478 1.00 15.41 C ATOM 1137 OD1 ASP A 74 4.983 12.587 -23.130 1.00 54.31 O ATOM 1138 OD2 ASP A 74 6.616 12.819 -24.582 1.00 61.32 O ATOM 0 H ASP A 74 4.585 14.494 -21.596 1.00 54.24 H new ATOM 0 HA ASP A 74 6.580 12.633 -20.848 1.00 20.41 H new ATOM 0 HB2 ASP A 74 6.585 15.009 -22.752 1.00 1.03 H new ATOM 0 HB3 ASP A 74 7.891 13.845 -22.640 1.00 1.03 H new ATOM 1143 N VAL A 75 7.023 15.756 -19.913 1.00 52.25 N ATOM 1144 CA VAL A 75 7.813 16.622 -19.046 1.00 54.00 C ATOM 1145 C VAL A 75 7.686 16.200 -17.586 1.00 41.54 C ATOM 1146 O VAL A 75 8.678 16.129 -16.861 1.00 64.23 O ATOM 1147 CB VAL A 75 7.384 18.095 -19.183 1.00 11.14 C ATOM 1148 CG1 VAL A 75 8.422 19.014 -18.556 1.00 33.31 C ATOM 1149 CG2 VAL A 75 7.158 18.451 -20.644 1.00 65.44 C ATOM 0 H VAL A 75 6.209 16.207 -20.331 1.00 52.25 H new ATOM 0 HA VAL A 75 8.852 16.524 -19.361 1.00 54.00 H new ATOM 0 HB VAL A 75 6.443 18.232 -18.650 1.00 11.14 H new ATOM 0 HG11 VAL A 75 8.102 20.051 -18.662 1.00 33.31 H new ATOM 0 HG12 VAL A 75 8.529 18.774 -17.498 1.00 33.31 H new ATOM 0 HG13 VAL A 75 9.380 18.877 -19.058 1.00 33.31 H new ATOM 0 HG21 VAL A 75 6.856 19.495 -20.721 1.00 65.44 H new ATOM 0 HG22 VAL A 75 8.081 18.298 -21.203 1.00 65.44 H new ATOM 0 HG23 VAL A 75 6.375 17.815 -21.057 1.00 65.44 H new ATOM 1159 N VAL A 76 6.458 15.922 -17.161 1.00 30.31 N ATOM 1160 CA VAL A 76 6.201 15.505 -15.788 1.00 12.25 C ATOM 1161 C VAL A 76 7.131 14.370 -15.374 1.00 51.22 C ATOM 1162 O VAL A 76 7.862 14.480 -14.391 1.00 43.42 O ATOM 1163 CB VAL A 76 4.741 15.051 -15.603 1.00 33.11 C ATOM 1164 CG1 VAL A 76 4.503 14.585 -14.174 1.00 52.44 C ATOM 1165 CG2 VAL A 76 3.783 16.173 -15.973 1.00 41.41 C ATOM 0 H VAL A 76 5.626 15.978 -17.748 1.00 30.31 H new ATOM 0 HA VAL A 76 6.387 16.372 -15.154 1.00 12.25 H new ATOM 0 HB VAL A 76 4.554 14.210 -16.270 1.00 33.11 H new ATOM 0 HG11 VAL A 76 3.466 14.268 -14.063 1.00 52.44 H new ATOM 0 HG12 VAL A 76 5.164 13.748 -13.949 1.00 52.44 H new ATOM 0 HG13 VAL A 76 4.708 15.404 -13.485 1.00 52.44 H new ATOM 0 HG21 VAL A 76 2.756 15.834 -15.836 1.00 41.41 H new ATOM 0 HG22 VAL A 76 3.969 17.036 -15.333 1.00 41.41 H new ATOM 0 HG23 VAL A 76 3.937 16.454 -17.015 1.00 41.41 H new ATOM 1175 N ASN A 77 7.097 13.279 -16.132 1.00 44.14 N ATOM 1176 CA ASN A 77 7.938 12.122 -15.845 1.00 12.41 C ATOM 1177 C ASN A 77 9.412 12.457 -16.049 1.00 3.34 C ATOM 1178 O ASN A 77 10.292 11.794 -15.500 1.00 23.40 O ATOM 1179 CB ASN A 77 7.543 10.944 -16.738 1.00 12.34 C ATOM 1180 CG ASN A 77 8.315 10.923 -18.042 1.00 43.14 C ATOM 1181 OD1 ASN A 77 9.486 10.545 -18.077 1.00 64.13 O ATOM 1182 ND2 ASN A 77 7.661 11.331 -19.124 1.00 21.22 N ATOM 0 H ASN A 77 6.496 13.172 -16.949 1.00 44.14 H new ATOM 0 HA ASN A 77 7.788 11.845 -14.802 1.00 12.41 H new ATOM 0 HB2 ASN A 77 7.716 10.011 -16.202 1.00 12.34 H new ATOM 0 HB3 ASN A 77 6.475 10.996 -16.952 1.00 12.34 H new ATOM 0 HD21 ASN A 77 8.129 11.339 -20.030 1.00 21.22 H new ATOM 0 HD22 ASN A 77 6.691 11.636 -19.049 1.00 21.22 H new ATOM 1189 N PHE A 78 9.675 13.492 -16.841 1.00 35.44 N ATOM 1190 CA PHE A 78 11.042 13.915 -17.117 1.00 42.15 C ATOM 1191 C PHE A 78 11.658 14.597 -15.899 1.00 33.10 C ATOM 1192 O PHE A 78 12.653 14.126 -15.348 1.00 44.23 O ATOM 1193 CB PHE A 78 11.072 14.865 -18.317 1.00 33.04 C ATOM 1194 CG PHE A 78 11.807 14.310 -19.503 1.00 2.21 C ATOM 1195 CD1 PHE A 78 11.338 13.185 -20.161 1.00 42.04 C ATOM 1196 CD2 PHE A 78 12.968 14.914 -19.959 1.00 60.32 C ATOM 1197 CE1 PHE A 78 12.012 12.672 -21.254 1.00 4.14 C ATOM 1198 CE2 PHE A 78 13.646 14.406 -21.051 1.00 22.40 C ATOM 1199 CZ PHE A 78 13.169 13.283 -21.698 1.00 75.22 C ATOM 0 H PHE A 78 8.959 14.053 -17.303 1.00 35.44 H new ATOM 0 HA PHE A 78 11.630 13.027 -17.350 1.00 42.15 H new ATOM 0 HB2 PHE A 78 10.049 15.099 -18.611 1.00 33.04 H new ATOM 0 HB3 PHE A 78 11.539 15.803 -18.016 1.00 33.04 H new ATOM 0 HD1 PHE A 78 10.435 12.703 -19.816 1.00 42.04 H new ATOM 0 HD2 PHE A 78 13.347 15.791 -19.456 1.00 60.32 H new ATOM 0 HE1 PHE A 78 11.635 11.795 -21.760 1.00 4.14 H new ATOM 0 HE2 PHE A 78 14.548 14.887 -21.398 1.00 22.40 H new ATOM 0 HZ PHE A 78 13.699 12.883 -22.550 1.00 75.22 H new ATOM 1209 N ILE A 79 11.058 15.708 -15.485 1.00 22.25 N ATOM 1210 CA ILE A 79 11.546 16.454 -14.332 1.00 5.24 C ATOM 1211 C ILE A 79 11.454 15.621 -13.058 1.00 21.20 C ATOM 1212 O ILE A 79 12.191 15.849 -12.098 1.00 54.31 O ATOM 1213 CB ILE A 79 10.759 17.763 -14.134 1.00 20.14 C ATOM 1214 CG1 ILE A 79 10.699 18.551 -15.444 1.00 20.22 C ATOM 1215 CG2 ILE A 79 11.393 18.601 -13.034 1.00 11.24 C ATOM 1216 CD1 ILE A 79 10.096 19.930 -15.293 1.00 23.15 C ATOM 0 H ILE A 79 10.234 16.111 -15.931 1.00 22.25 H new ATOM 0 HA ILE A 79 12.590 16.694 -14.531 1.00 5.24 H new ATOM 0 HB ILE A 79 9.741 17.515 -13.834 1.00 20.14 H new ATOM 0 HG12 ILE A 79 11.707 18.646 -15.848 1.00 20.22 H new ATOM 0 HG13 ILE A 79 10.116 17.986 -16.172 1.00 20.22 H new ATOM 0 HG21 ILE A 79 10.826 19.523 -12.906 1.00 11.24 H new ATOM 0 HG22 ILE A 79 11.388 18.039 -12.100 1.00 11.24 H new ATOM 0 HG23 ILE A 79 12.420 18.842 -13.307 1.00 11.24 H new ATOM 0 HD11 ILE A 79 10.086 20.431 -16.261 1.00 23.15 H new ATOM 0 HD12 ILE A 79 9.076 19.842 -14.919 1.00 23.15 H new ATOM 0 HD13 ILE A 79 10.691 20.512 -14.590 1.00 23.15 H new ATOM 1228 N LYS A 80 10.545 14.651 -13.056 1.00 44.44 N ATOM 1229 CA LYS A 80 10.357 13.780 -11.903 1.00 4.15 C ATOM 1230 C LYS A 80 11.623 12.980 -11.613 1.00 61.42 C ATOM 1231 O LYS A 80 12.114 12.961 -10.484 1.00 44.34 O ATOM 1232 CB LYS A 80 9.183 12.829 -12.142 1.00 60.40 C ATOM 1233 CG LYS A 80 7.864 13.339 -11.588 1.00 70.30 C ATOM 1234 CD LYS A 80 6.686 12.552 -12.138 1.00 24.51 C ATOM 1235 CE LYS A 80 6.643 11.142 -11.567 1.00 53.41 C ATOM 1236 NZ LYS A 80 6.049 10.172 -12.529 1.00 5.51 N ATOM 0 H LYS A 80 9.927 14.449 -13.842 1.00 44.44 H new ATOM 0 HA LYS A 80 10.138 14.406 -11.038 1.00 4.15 H new ATOM 0 HB2 LYS A 80 9.076 12.659 -13.213 1.00 60.40 H new ATOM 0 HB3 LYS A 80 9.409 11.864 -11.688 1.00 60.40 H new ATOM 0 HG2 LYS A 80 7.874 13.269 -10.500 1.00 70.30 H new ATOM 0 HG3 LYS A 80 7.747 14.393 -11.838 1.00 70.30 H new ATOM 0 HD2 LYS A 80 5.757 13.071 -11.900 1.00 24.51 H new ATOM 0 HD3 LYS A 80 6.755 12.504 -13.225 1.00 24.51 H new ATOM 0 HE2 LYS A 80 7.653 10.824 -11.308 1.00 53.41 H new ATOM 0 HE3 LYS A 80 6.062 11.141 -10.645 1.00 53.41 H new ATOM 0 HZ1 LYS A 80 6.038 9.223 -12.103 1.00 5.51 H new ATOM 0 HZ2 LYS A 80 5.076 10.461 -12.757 1.00 5.51 H new ATOM 0 HZ3 LYS A 80 6.618 10.154 -13.399 1.00 5.51 H new ATOM 1250 N LYS A 81 12.148 12.320 -12.640 1.00 70.31 N ATOM 1251 CA LYS A 81 13.358 11.519 -12.498 1.00 4.33 C ATOM 1252 C LYS A 81 14.601 12.403 -12.527 1.00 64.11 C ATOM 1253 O LYS A 81 15.645 12.040 -11.985 1.00 23.13 O ATOM 1254 CB LYS A 81 13.437 10.473 -13.612 1.00 52.30 C ATOM 1255 CG LYS A 81 13.420 11.070 -15.009 1.00 35.13 C ATOM 1256 CD LYS A 81 14.406 10.368 -15.927 1.00 51.11 C ATOM 1257 CE LYS A 81 14.984 11.324 -16.959 1.00 4.43 C ATOM 1258 NZ LYS A 81 16.074 10.691 -17.752 1.00 40.42 N ATOM 0 H LYS A 81 11.754 12.324 -13.581 1.00 70.31 H new ATOM 0 HA LYS A 81 13.316 11.011 -11.535 1.00 4.33 H new ATOM 0 HB2 LYS A 81 14.349 9.889 -13.487 1.00 52.30 H new ATOM 0 HB3 LYS A 81 12.600 9.783 -13.511 1.00 52.30 H new ATOM 0 HG2 LYS A 81 12.416 10.994 -15.426 1.00 35.13 H new ATOM 0 HG3 LYS A 81 13.663 12.131 -14.955 1.00 35.13 H new ATOM 0 HD2 LYS A 81 15.214 9.938 -15.335 1.00 51.11 H new ATOM 0 HD3 LYS A 81 13.908 9.541 -16.434 1.00 51.11 H new ATOM 0 HE2 LYS A 81 14.192 11.656 -17.630 1.00 4.43 H new ATOM 0 HE3 LYS A 81 15.369 12.212 -16.457 1.00 4.43 H new ATOM 0 HZ1 LYS A 81 16.442 11.375 -18.444 1.00 40.42 H new ATOM 0 HZ2 LYS A 81 16.841 10.397 -17.115 1.00 40.42 H new ATOM 0 HZ3 LYS A 81 15.701 9.859 -18.252 1.00 40.42 H new ATOM 1272 N ARG A 82 14.482 13.564 -13.162 1.00 54.13 N ATOM 1273 CA ARG A 82 15.596 14.499 -13.262 1.00 12.25 C ATOM 1274 C ARG A 82 15.850 15.186 -11.923 1.00 54.51 C ATOM 1275 O ARG A 82 16.996 15.423 -11.542 1.00 0.43 O ATOM 1276 CB ARG A 82 15.315 15.547 -14.340 1.00 43.21 C ATOM 1277 CG ARG A 82 16.063 15.299 -15.640 1.00 22.22 C ATOM 1278 CD ARG A 82 15.156 15.476 -16.847 1.00 72.12 C ATOM 1279 NE ARG A 82 14.451 16.755 -16.819 1.00 71.33 N ATOM 1280 CZ ARG A 82 15.040 17.924 -17.044 1.00 23.23 C ATOM 1281 NH1 ARG A 82 16.338 17.975 -17.312 1.00 12.34 N ATOM 1282 NH2 ARG A 82 14.331 19.045 -17.001 1.00 24.42 N ATOM 0 H ARG A 82 13.625 13.880 -13.615 1.00 54.13 H new ATOM 0 HA ARG A 82 16.488 13.935 -13.537 1.00 12.25 H new ATOM 0 HB2 ARG A 82 14.245 15.567 -14.545 1.00 43.21 H new ATOM 0 HB3 ARG A 82 15.585 16.531 -13.957 1.00 43.21 H new ATOM 0 HG2 ARG A 82 16.906 15.986 -15.713 1.00 22.22 H new ATOM 0 HG3 ARG A 82 16.474 14.290 -15.638 1.00 22.22 H new ATOM 0 HD2 ARG A 82 15.749 15.409 -17.759 1.00 72.12 H new ATOM 0 HD3 ARG A 82 14.431 14.663 -16.878 1.00 72.12 H new ATOM 0 HE ARG A 82 13.452 16.750 -16.615 1.00 71.33 H new ATOM 0 HH11 ARG A 82 16.886 17.115 -17.346 1.00 12.34 H new ATOM 0 HH12 ARG A 82 16.788 18.874 -17.484 1.00 12.34 H new ATOM 0 HH21 ARG A 82 13.333 19.009 -16.795 1.00 24.42 H new ATOM 0 HH22 ARG A 82 14.784 19.942 -17.174 1.00 24.42 H new ATOM 1296 N LYS A 83 14.772 15.505 -11.214 1.00 21.02 N ATOM 1297 CA LYS A 83 14.876 16.164 -9.918 1.00 2.55 C ATOM 1298 C LYS A 83 14.926 15.140 -8.788 1.00 42.14 C ATOM 1299 O LYS A 83 15.821 15.176 -7.944 1.00 75.53 O ATOM 1300 CB LYS A 83 13.693 17.113 -9.708 1.00 64.32 C ATOM 1301 CG LYS A 83 13.830 17.993 -8.478 1.00 32.11 C ATOM 1302 CD LYS A 83 14.391 19.360 -8.830 1.00 54.51 C ATOM 1303 CE LYS A 83 15.903 19.319 -8.990 1.00 75.41 C ATOM 1304 NZ LYS A 83 16.522 20.652 -8.754 1.00 24.11 N ATOM 0 H LYS A 83 13.816 15.317 -11.516 1.00 21.02 H new ATOM 0 HA LYS A 83 15.802 16.739 -9.905 1.00 2.55 H new ATOM 0 HB2 LYS A 83 13.586 17.747 -10.588 1.00 64.32 H new ATOM 0 HB3 LYS A 83 12.778 16.527 -9.625 1.00 64.32 H new ATOM 0 HG2 LYS A 83 12.856 18.110 -8.003 1.00 32.11 H new ATOM 0 HG3 LYS A 83 14.482 17.507 -7.753 1.00 32.11 H new ATOM 0 HD2 LYS A 83 13.936 19.714 -9.755 1.00 54.51 H new ATOM 0 HD3 LYS A 83 14.126 20.075 -8.051 1.00 54.51 H new ATOM 0 HE2 LYS A 83 16.323 18.595 -8.291 1.00 75.41 H new ATOM 0 HE3 LYS A 83 16.153 18.975 -9.994 1.00 75.41 H new ATOM 0 HZ1 LYS A 83 17.553 20.582 -8.872 1.00 24.11 H new ATOM 0 HZ2 LYS A 83 16.141 21.338 -9.437 1.00 24.11 H new ATOM 0 HZ3 LYS A 83 16.305 20.969 -7.787 1.00 24.11 H new ATOM 1318 N GLY A 84 13.960 14.227 -8.780 1.00 71.25 N ATOM 1319 CA GLY A 84 13.914 13.205 -7.751 1.00 74.33 C ATOM 1320 C GLY A 84 13.929 13.789 -6.353 1.00 0.12 C ATOM 1321 O GLY A 84 14.989 13.924 -5.741 1.00 54.21 O ATOM 0 H GLY A 84 13.208 14.177 -9.468 1.00 71.25 H new ATOM 0 HA2 GLY A 84 13.014 12.604 -7.881 1.00 74.33 H new ATOM 0 HA3 GLY A 84 14.765 12.535 -7.871 1.00 74.33 H new