USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 680 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 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -2.44! C(o=-2.4!,f=-8.8!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.627 X(o=-0.63,f=-0.13) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -166:sc= -0.897 (180deg=-1.67) USER MOD Single : A 60 THR OG1 : rot 113:sc= 1.08 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= -2.15 USER MOD Single : A 69 THR OG1 : rot 70:sc= 2.16 USER MOD Single : A 75 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.71) USER MOD Single : A 76 SER OG : rot 140:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -34:sc= 0.494 USER MOD Single : A 92 ASN :FLIP amide:sc= -0.324 F(o=-0.9,f=-0.32) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 150:sc= 1.09 (180deg=0.666) USER MOD ----------------------------------------------------------------- ATOM 110 N ALA A 10 2.370 -4.949 -13.845 1.00 11.24 N ATOM 111 CA ALA A 10 3.072 -4.131 -14.844 1.00 3.35 C ATOM 112 C ALA A 10 4.409 -4.759 -15.252 1.00 23.44 C ATOM 113 O ALA A 10 5.016 -5.509 -14.483 1.00 22.43 O ATOM 114 CB ALA A 10 3.282 -2.704 -14.337 1.00 55.52 C ATOM 0 HA ALA A 10 2.439 -4.092 -15.730 1.00 3.35 H new ATOM 0 HB1 ALA A 10 3.804 -2.121 -15.096 1.00 55.52 H new ATOM 0 HB2 ALA A 10 2.315 -2.246 -14.129 1.00 55.52 H new ATOM 0 HB3 ALA A 10 3.877 -2.726 -13.424 1.00 55.52 H new ATOM 120 N PRO A 11 4.875 -4.480 -16.487 1.00 44.21 N ATOM 121 CA PRO A 11 6.154 -4.998 -16.984 1.00 55.23 C ATOM 122 C PRO A 11 7.354 -4.496 -16.161 1.00 32.55 C ATOM 123 O PRO A 11 7.278 -3.464 -15.480 1.00 0.25 O ATOM 124 CB PRO A 11 6.210 -4.506 -18.441 1.00 31.05 C ATOM 125 CG PRO A 11 5.264 -3.357 -18.501 1.00 53.10 C ATOM 126 CD PRO A 11 4.183 -3.661 -17.500 1.00 10.23 C ATOM 0 HA PRO A 11 6.215 -6.083 -16.904 1.00 55.23 H new ATOM 0 HB2 PRO A 11 7.220 -4.200 -18.715 1.00 31.05 H new ATOM 0 HB3 PRO A 11 5.917 -5.294 -19.134 1.00 31.05 H new ATOM 0 HG2 PRO A 11 5.769 -2.422 -18.259 1.00 53.10 H new ATOM 0 HG3 PRO A 11 4.849 -3.245 -19.503 1.00 53.10 H new ATOM 0 HD2 PRO A 11 3.769 -2.750 -17.066 1.00 10.23 H new ATOM 0 HD3 PRO A 11 3.354 -4.202 -17.956 1.00 10.23 H new ATOM 134 N ALA A 12 8.462 -5.228 -16.263 1.00 72.03 N ATOM 135 CA ALA A 12 9.610 -5.075 -15.367 1.00 52.13 C ATOM 136 C ALA A 12 10.157 -3.649 -15.304 1.00 12.32 C ATOM 137 O ALA A 12 10.325 -3.102 -14.210 1.00 21.14 O ATOM 138 CB ALA A 12 10.719 -6.039 -15.777 1.00 4.24 C ATOM 0 H ALA A 12 8.591 -5.949 -16.973 1.00 72.03 H new ATOM 0 HA ALA A 12 9.251 -5.310 -14.365 1.00 52.13 H new ATOM 0 HB1 ALA A 12 11.570 -5.920 -15.107 1.00 4.24 H new ATOM 0 HB2 ALA A 12 10.351 -7.063 -15.718 1.00 4.24 H new ATOM 0 HB3 ALA A 12 11.029 -5.823 -16.799 1.00 4.24 H new ATOM 144 N GLU A 13 10.434 -3.054 -16.466 1.00 52.53 N ATOM 145 CA GLU A 13 11.151 -1.775 -16.518 1.00 1.13 C ATOM 146 C GLU A 13 10.434 -0.696 -15.705 1.00 33.24 C ATOM 147 O GLU A 13 11.035 -0.059 -14.837 1.00 71.14 O ATOM 148 CB GLU A 13 11.334 -1.297 -17.968 1.00 55.43 C ATOM 149 CG GLU A 13 11.945 -2.337 -18.904 1.00 71.02 C ATOM 150 CD GLU A 13 13.177 -3.013 -18.328 1.00 63.11 C ATOM 151 OE1 GLU A 13 13.070 -4.180 -17.899 1.00 63.23 O ATOM 152 OE2 GLU A 13 14.256 -2.386 -18.306 1.00 13.43 O ATOM 0 H GLU A 13 10.176 -3.432 -17.377 1.00 52.53 H new ATOM 0 HA GLU A 13 12.133 -1.944 -16.077 1.00 1.13 H new ATOM 0 HB2 GLU A 13 10.364 -0.996 -18.363 1.00 55.43 H new ATOM 0 HB3 GLU A 13 11.967 -0.410 -17.968 1.00 55.43 H new ATOM 0 HG2 GLU A 13 11.196 -3.095 -19.132 1.00 71.02 H new ATOM 0 HG3 GLU A 13 12.209 -1.857 -19.846 1.00 71.02 H new ATOM 159 N GLU A 14 9.146 -0.513 -15.978 1.00 61.24 N ATOM 160 CA GLU A 14 8.357 0.508 -15.294 1.00 33.24 C ATOM 161 C GLU A 14 8.056 0.093 -13.857 1.00 22.11 C ATOM 162 O GLU A 14 8.151 0.913 -12.938 1.00 10.24 O ATOM 163 CB GLU A 14 7.060 0.801 -16.068 1.00 50.35 C ATOM 164 CG GLU A 14 6.201 -0.427 -16.350 1.00 51.40 C ATOM 165 CD GLU A 14 5.058 -0.131 -17.310 1.00 31.31 C ATOM 166 OE1 GLU A 14 3.895 -0.034 -16.859 1.00 64.43 O ATOM 167 OE2 GLU A 14 5.320 0.007 -18.526 1.00 2.13 O ATOM 0 H GLU A 14 8.626 -1.057 -16.667 1.00 61.24 H new ATOM 0 HA GLU A 14 8.945 1.425 -15.259 1.00 33.24 H new ATOM 0 HB2 GLU A 14 6.468 1.520 -15.502 1.00 50.35 H new ATOM 0 HB3 GLU A 14 7.316 1.275 -17.016 1.00 50.35 H new ATOM 0 HG2 GLU A 14 6.827 -1.216 -16.767 1.00 51.40 H new ATOM 0 HG3 GLU A 14 5.795 -0.805 -15.412 1.00 51.40 H new ATOM 174 N LEU A 15 7.726 -1.187 -13.660 1.00 3.23 N ATOM 175 CA LEU A 15 7.404 -1.698 -12.330 1.00 35.01 C ATOM 176 C LEU A 15 8.540 -1.394 -11.358 1.00 62.30 C ATOM 177 O LEU A 15 8.302 -0.959 -10.236 1.00 41.12 O ATOM 178 CB LEU A 15 7.116 -3.217 -12.389 1.00 74.45 C ATOM 179 CG LEU A 15 6.670 -3.897 -11.069 1.00 33.45 C ATOM 180 CD1 LEU A 15 7.859 -4.227 -10.167 1.00 2.32 C ATOM 181 CD2 LEU A 15 5.659 -3.025 -10.319 1.00 71.31 C ATOM 0 H LEU A 15 7.676 -1.884 -14.403 1.00 3.23 H new ATOM 0 HA LEU A 15 6.505 -1.198 -11.970 1.00 35.01 H new ATOM 0 HB2 LEU A 15 6.341 -3.387 -13.137 1.00 74.45 H new ATOM 0 HB3 LEU A 15 8.016 -3.720 -12.743 1.00 74.45 H new ATOM 0 HG LEU A 15 6.189 -4.837 -11.340 1.00 33.45 H new ATOM 0 HD11 LEU A 15 7.502 -4.702 -9.253 1.00 2.32 H new ATOM 0 HD12 LEU A 15 8.534 -4.905 -10.689 1.00 2.32 H new ATOM 0 HD13 LEU A 15 8.390 -3.309 -9.915 1.00 2.32 H new ATOM 0 HD21 LEU A 15 5.362 -3.524 -9.397 1.00 71.31 H new ATOM 0 HD22 LEU A 15 6.114 -2.063 -10.081 1.00 71.31 H new ATOM 0 HD23 LEU A 15 4.781 -2.866 -10.945 1.00 71.31 H new ATOM 193 N LEU A 16 9.773 -1.599 -11.811 1.00 34.53 N ATOM 194 CA LEU A 16 10.948 -1.422 -10.962 1.00 14.32 C ATOM 195 C LEU A 16 11.001 -0.003 -10.392 1.00 73.04 C ATOM 196 O LEU A 16 11.030 0.190 -9.171 1.00 2.32 O ATOM 197 CB LEU A 16 12.227 -1.725 -11.761 1.00 60.23 C ATOM 198 CG LEU A 16 13.540 -1.658 -10.961 1.00 31.32 C ATOM 199 CD1 LEU A 16 13.541 -2.683 -9.829 1.00 35.15 C ATOM 200 CD2 LEU A 16 14.744 -1.862 -11.882 1.00 61.34 C ATOM 0 H LEU A 16 9.986 -1.889 -12.765 1.00 34.53 H new ATOM 0 HA LEU A 16 10.877 -2.120 -10.128 1.00 14.32 H new ATOM 0 HB2 LEU A 16 12.136 -2.721 -12.194 1.00 60.23 H new ATOM 0 HB3 LEU A 16 12.291 -1.021 -12.591 1.00 60.23 H new ATOM 0 HG LEU A 16 13.616 -0.666 -10.516 1.00 31.32 H new ATOM 0 HD11 LEU A 16 14.479 -2.616 -9.278 1.00 35.15 H new ATOM 0 HD12 LEU A 16 12.709 -2.481 -9.154 1.00 35.15 H new ATOM 0 HD13 LEU A 16 13.435 -3.685 -10.245 1.00 35.15 H new ATOM 0 HD21 LEU A 16 15.662 -1.811 -11.297 1.00 61.34 H new ATOM 0 HD22 LEU A 16 14.673 -2.838 -12.362 1.00 61.34 H new ATOM 0 HD23 LEU A 16 14.755 -1.083 -12.644 1.00 61.34 H new ATOM 212 N ALA A 17 10.985 0.981 -11.284 1.00 2.53 N ATOM 213 CA ALA A 17 11.079 2.383 -10.888 1.00 33.44 C ATOM 214 C ALA A 17 9.895 2.785 -10.010 1.00 3.43 C ATOM 215 O ALA A 17 10.076 3.305 -8.903 1.00 72.12 O ATOM 216 CB ALA A 17 11.155 3.274 -12.124 1.00 31.51 C ATOM 0 H ALA A 17 10.908 0.834 -12.290 1.00 2.53 H new ATOM 0 HA ALA A 17 11.990 2.514 -10.303 1.00 33.44 H new ATOM 0 HB1 ALA A 17 11.225 4.317 -11.817 1.00 31.51 H new ATOM 0 HB2 ALA A 17 12.035 3.009 -12.710 1.00 31.51 H new ATOM 0 HB3 ALA A 17 10.260 3.133 -12.730 1.00 31.51 H new ATOM 222 N ASP A 18 8.686 2.505 -10.496 1.00 12.44 N ATOM 223 CA ASP A 18 7.463 2.895 -9.795 1.00 42.23 C ATOM 224 C ASP A 18 7.380 2.249 -8.416 1.00 45.25 C ATOM 225 O ASP A 18 7.018 2.907 -7.438 1.00 13.32 O ATOM 226 CB ASP A 18 6.207 2.546 -10.618 1.00 44.13 C ATOM 227 CG ASP A 18 6.022 3.453 -11.829 1.00 52.34 C ATOM 228 OD1 ASP A 18 5.860 4.678 -11.643 1.00 62.40 O ATOM 229 OD2 ASP A 18 6.010 2.949 -12.971 1.00 63.24 O ATOM 0 H ASP A 18 8.527 2.009 -11.373 1.00 12.44 H new ATOM 0 HA ASP A 18 7.502 3.977 -9.666 1.00 42.23 H new ATOM 0 HB2 ASP A 18 6.274 1.511 -10.952 1.00 44.13 H new ATOM 0 HB3 ASP A 18 5.328 2.618 -9.978 1.00 44.13 H new ATOM 234 N VAL A 19 7.728 0.965 -8.327 1.00 74.53 N ATOM 235 CA VAL A 19 7.630 0.253 -7.058 1.00 72.23 C ATOM 236 C VAL A 19 8.682 0.763 -6.080 1.00 43.01 C ATOM 237 O VAL A 19 8.388 0.954 -4.907 1.00 22.31 O ATOM 238 CB VAL A 19 7.748 -1.294 -7.206 1.00 34.02 C ATOM 239 CG1 VAL A 19 9.194 -1.741 -7.434 1.00 61.43 C ATOM 240 CG2 VAL A 19 7.157 -1.999 -5.985 1.00 34.51 C ATOM 0 H VAL A 19 8.075 0.406 -9.107 1.00 74.53 H new ATOM 0 HA VAL A 19 6.632 0.456 -6.670 1.00 72.23 H new ATOM 0 HB VAL A 19 7.176 -1.578 -8.089 1.00 34.02 H new ATOM 0 HG11 VAL A 19 9.228 -2.826 -7.531 1.00 61.43 H new ATOM 0 HG12 VAL A 19 9.577 -1.283 -8.346 1.00 61.43 H new ATOM 0 HG13 VAL A 19 9.808 -1.433 -6.587 1.00 61.43 H new ATOM 0 HG21 VAL A 19 7.249 -3.078 -6.108 1.00 34.51 H new ATOM 0 HG22 VAL A 19 7.695 -1.688 -5.090 1.00 34.51 H new ATOM 0 HG23 VAL A 19 6.104 -1.734 -5.886 1.00 34.51 H new ATOM 250 N GLU A 20 9.900 1.012 -6.570 1.00 21.15 N ATOM 251 CA GLU A 20 10.975 1.503 -5.707 1.00 31.23 C ATOM 252 C GLU A 20 10.573 2.848 -5.106 1.00 40.01 C ATOM 253 O GLU A 20 10.703 3.069 -3.901 1.00 75.32 O ATOM 254 CB GLU A 20 12.294 1.611 -6.498 1.00 13.32 C ATOM 255 CG GLU A 20 13.545 1.817 -5.633 1.00 11.25 C ATOM 256 CD GLU A 20 13.838 3.277 -5.306 1.00 33.33 C ATOM 257 OE1 GLU A 20 13.478 3.743 -4.207 1.00 44.54 O ATOM 258 OE2 GLU A 20 14.448 3.967 -6.151 1.00 44.34 O ATOM 0 H GLU A 20 10.163 0.883 -7.547 1.00 21.15 H new ATOM 0 HA GLU A 20 11.138 0.797 -4.893 1.00 31.23 H new ATOM 0 HB2 GLU A 20 12.423 0.704 -7.089 1.00 13.32 H new ATOM 0 HB3 GLU A 20 12.214 2.441 -7.200 1.00 13.32 H new ATOM 0 HG2 GLU A 20 13.426 1.263 -4.702 1.00 11.25 H new ATOM 0 HG3 GLU A 20 14.405 1.391 -6.149 1.00 11.25 H new ATOM 265 N GLU A 21 10.048 3.730 -5.954 1.00 71.14 N ATOM 266 CA GLU A 21 9.570 5.033 -5.506 1.00 30.22 C ATOM 267 C GLU A 21 8.424 4.877 -4.502 1.00 12.12 C ATOM 268 O GLU A 21 8.469 5.442 -3.409 1.00 15.14 O ATOM 269 CB GLU A 21 9.129 5.883 -6.704 1.00 41.04 C ATOM 270 CG GLU A 21 10.283 6.272 -7.621 1.00 42.13 C ATOM 271 CD GLU A 21 9.851 7.139 -8.793 1.00 44.21 C ATOM 272 OE1 GLU A 21 9.173 8.162 -8.561 1.00 2.11 O ATOM 273 OE2 GLU A 21 10.212 6.819 -9.944 1.00 23.03 O ATOM 0 H GLU A 21 9.943 3.565 -6.955 1.00 71.14 H new ATOM 0 HA GLU A 21 10.391 5.545 -5.004 1.00 30.22 H new ATOM 0 HB2 GLU A 21 8.386 5.331 -7.280 1.00 41.04 H new ATOM 0 HB3 GLU A 21 8.642 6.788 -6.340 1.00 41.04 H new ATOM 0 HG2 GLU A 21 11.036 6.806 -7.041 1.00 42.13 H new ATOM 0 HG3 GLU A 21 10.757 5.367 -8.002 1.00 42.13 H new ATOM 280 N ALA A 22 7.420 4.079 -4.862 1.00 60.52 N ATOM 281 CA ALA A 22 6.270 3.845 -3.987 1.00 15.14 C ATOM 282 C ALA A 22 6.736 3.336 -2.621 1.00 33.51 C ATOM 283 O ALA A 22 6.290 3.821 -1.571 1.00 64.02 O ATOM 284 CB ALA A 22 5.302 2.853 -4.632 1.00 41.13 C ATOM 0 H ALA A 22 7.379 3.583 -5.753 1.00 60.52 H new ATOM 0 HA ALA A 22 5.745 4.789 -3.841 1.00 15.14 H new ATOM 0 HB1 ALA A 22 4.453 2.690 -3.969 1.00 41.13 H new ATOM 0 HB2 ALA A 22 4.949 3.254 -5.582 1.00 41.13 H new ATOM 0 HB3 ALA A 22 5.813 1.906 -4.806 1.00 41.13 H new ATOM 290 N MET A 23 7.669 2.386 -2.652 1.00 62.25 N ATOM 291 CA MET A 23 8.241 1.811 -1.439 1.00 1.31 C ATOM 292 C MET A 23 8.873 2.901 -0.577 1.00 73.31 C ATOM 293 O MET A 23 8.912 2.783 0.642 1.00 53.22 O ATOM 294 CB MET A 23 9.282 0.728 -1.781 1.00 71.13 C ATOM 295 CG MET A 23 8.686 -0.542 -2.380 1.00 53.23 C ATOM 296 SD MET A 23 7.636 -1.440 -1.216 1.00 12.14 S ATOM 297 CE MET A 23 7.064 -2.790 -2.248 1.00 34.22 C ATOM 0 H MET A 23 8.047 1.996 -3.515 1.00 62.25 H new ATOM 0 HA MET A 23 7.435 1.343 -0.874 1.00 1.31 H new ATOM 0 HB2 MET A 23 10.005 1.143 -2.483 1.00 71.13 H new ATOM 0 HB3 MET A 23 9.830 0.467 -0.876 1.00 71.13 H new ATOM 0 HG2 MET A 23 8.102 -0.282 -3.263 1.00 53.23 H new ATOM 0 HG3 MET A 23 9.493 -1.195 -2.712 1.00 53.23 H new ATOM 0 HE1 MET A 23 6.403 -3.435 -1.670 1.00 34.22 H new ATOM 0 HE2 MET A 23 6.522 -2.389 -3.104 1.00 34.22 H new ATOM 0 HE3 MET A 23 7.919 -3.368 -2.598 1.00 34.22 H new ATOM 307 N ARG A 24 9.336 3.973 -1.218 1.00 35.11 N ATOM 308 CA ARG A 24 9.988 5.071 -0.513 1.00 50.10 C ATOM 309 C ARG A 24 8.961 5.920 0.245 1.00 23.34 C ATOM 310 O ARG A 24 9.293 6.561 1.245 1.00 1.54 O ATOM 311 CB ARG A 24 10.809 5.920 -1.511 1.00 2.33 C ATOM 312 CG ARG A 24 11.478 7.160 -0.910 1.00 61.43 C ATOM 313 CD ARG A 24 10.582 8.397 -0.983 1.00 42.35 C ATOM 314 NE ARG A 24 11.052 9.465 -0.099 1.00 74.42 N ATOM 315 CZ ARG A 24 10.240 10.266 0.597 1.00 42.14 C ATOM 316 NH1 ARG A 24 8.928 10.217 0.402 1.00 22.44 N ATOM 317 NH2 ARG A 24 10.747 11.136 1.462 1.00 31.32 N ATOM 0 H ARG A 24 9.270 4.103 -2.228 1.00 35.11 H new ATOM 0 HA ARG A 24 10.673 4.661 0.229 1.00 50.10 H new ATOM 0 HB2 ARG A 24 11.580 5.289 -1.954 1.00 2.33 H new ATOM 0 HB3 ARG A 24 10.152 6.237 -2.321 1.00 2.33 H new ATOM 0 HG2 ARG A 24 11.736 6.962 0.130 1.00 61.43 H new ATOM 0 HG3 ARG A 24 12.411 7.358 -1.438 1.00 61.43 H new ATOM 0 HD2 ARG A 24 10.551 8.763 -2.009 1.00 42.35 H new ATOM 0 HD3 ARG A 24 9.563 8.123 -0.711 1.00 42.35 H new ATOM 0 HE ARG A 24 12.058 9.606 -0.009 1.00 74.42 H new ATOM 0 HH11 ARG A 24 8.538 9.567 -0.280 1.00 22.44 H new ATOM 0 HH12 ARG A 24 8.310 10.829 0.934 1.00 22.44 H new ATOM 0 HH21 ARG A 24 11.757 11.193 1.595 1.00 31.32 H new ATOM 0 HH22 ARG A 24 10.127 11.747 1.993 1.00 31.32 H new ATOM 331 N ASP A 25 7.711 5.907 -0.214 1.00 20.33 N ATOM 332 CA ASP A 25 6.666 6.736 0.393 1.00 33.04 C ATOM 333 C ASP A 25 5.773 5.930 1.332 1.00 2.12 C ATOM 334 O ASP A 25 5.101 6.503 2.195 1.00 74.42 O ATOM 335 CB ASP A 25 5.827 7.440 -0.688 1.00 64.41 C ATOM 336 CG ASP A 25 6.312 8.859 -0.955 1.00 33.23 C ATOM 337 OD1 ASP A 25 7.338 9.026 -1.649 1.00 52.02 O ATOM 338 OD2 ASP A 25 5.683 9.816 -0.446 1.00 21.22 O ATOM 0 H ASP A 25 7.396 5.336 -0.999 1.00 20.33 H new ATOM 0 HA ASP A 25 7.165 7.497 0.993 1.00 33.04 H new ATOM 0 HB2 ASP A 25 5.869 6.863 -1.612 1.00 64.41 H new ATOM 0 HB3 ASP A 25 4.783 7.467 -0.376 1.00 64.41 H new ATOM 343 N VAL A 26 5.750 4.609 1.161 1.00 60.51 N ATOM 344 CA VAL A 26 5.010 3.738 2.078 1.00 72.14 C ATOM 345 C VAL A 26 5.891 3.339 3.265 1.00 11.11 C ATOM 346 O VAL A 26 5.395 2.886 4.300 1.00 14.21 O ATOM 347 CB VAL A 26 4.473 2.464 1.372 1.00 64.44 C ATOM 348 CG1 VAL A 26 3.563 2.836 0.203 1.00 22.31 C ATOM 349 CG2 VAL A 26 5.619 1.559 0.918 1.00 54.15 C ATOM 0 H VAL A 26 6.229 4.121 0.405 1.00 60.51 H new ATOM 0 HA VAL A 26 4.152 4.307 2.435 1.00 72.14 H new ATOM 0 HB VAL A 26 3.879 1.903 2.094 1.00 64.44 H new ATOM 0 HG11 VAL A 26 3.198 1.928 -0.277 1.00 22.31 H new ATOM 0 HG12 VAL A 26 2.717 3.417 0.571 1.00 22.31 H new ATOM 0 HG13 VAL A 26 4.123 3.429 -0.520 1.00 22.31 H new ATOM 0 HG21 VAL A 26 5.212 0.675 0.427 1.00 54.15 H new ATOM 0 HG22 VAL A 26 6.256 2.101 0.219 1.00 54.15 H new ATOM 0 HG23 VAL A 26 6.207 1.255 1.784 1.00 54.15 H new ATOM 359 N VAL A 27 7.200 3.512 3.103 1.00 63.44 N ATOM 360 CA VAL A 27 8.159 3.233 4.168 1.00 54.12 C ATOM 361 C VAL A 27 8.359 4.486 5.021 1.00 51.32 C ATOM 362 O VAL A 27 7.905 5.572 4.649 1.00 53.52 O ATOM 363 CB VAL A 27 9.530 2.780 3.582 1.00 63.34 C ATOM 364 CG1 VAL A 27 10.303 3.964 3.006 1.00 31.14 C ATOM 365 CG2 VAL A 27 10.371 2.044 4.617 1.00 73.34 C ATOM 0 H VAL A 27 7.623 3.847 2.237 1.00 63.44 H new ATOM 0 HA VAL A 27 7.762 2.425 4.783 1.00 54.12 H new ATOM 0 HB VAL A 27 9.317 2.083 2.771 1.00 63.34 H new ATOM 0 HG11 VAL A 27 11.255 3.616 2.605 1.00 31.14 H new ATOM 0 HG12 VAL A 27 9.720 4.426 2.209 1.00 31.14 H new ATOM 0 HG13 VAL A 27 10.486 4.696 3.792 1.00 31.14 H new ATOM 0 HG21 VAL A 27 11.319 1.745 4.170 1.00 73.34 H new ATOM 0 HG22 VAL A 27 10.562 2.702 5.465 1.00 73.34 H new ATOM 0 HG23 VAL A 27 9.835 1.158 4.958 1.00 73.34 H new ATOM 375 N ASP A 28 9.022 4.340 6.163 1.00 53.33 N ATOM 376 CA ASP A 28 9.444 5.489 6.958 1.00 45.41 C ATOM 377 C ASP A 28 10.950 5.677 6.804 1.00 1.04 C ATOM 378 O ASP A 28 11.734 5.054 7.522 1.00 44.44 O ATOM 379 CB ASP A 28 9.083 5.312 8.442 1.00 42.24 C ATOM 380 CG ASP A 28 9.515 6.511 9.284 1.00 5.12 C ATOM 381 OD1 ASP A 28 10.674 6.533 9.753 1.00 51.32 O ATOM 382 OD2 ASP A 28 8.697 7.442 9.469 1.00 20.41 O ATOM 0 H ASP A 28 9.279 3.436 6.560 1.00 53.33 H new ATOM 0 HA ASP A 28 8.919 6.373 6.596 1.00 45.41 H new ATOM 0 HB2 ASP A 28 8.007 5.170 8.539 1.00 42.24 H new ATOM 0 HB3 ASP A 28 9.559 4.410 8.826 1.00 42.24 H new ATOM 387 N PRO A 29 11.384 6.507 5.838 1.00 11.04 N ATOM 388 CA PRO A 29 12.802 6.748 5.591 1.00 4.42 C ATOM 389 C PRO A 29 13.367 7.825 6.515 1.00 43.43 C ATOM 390 O PRO A 29 14.569 8.104 6.504 1.00 53.02 O ATOM 391 CB PRO A 29 12.817 7.197 4.127 1.00 51.20 C ATOM 392 CG PRO A 29 11.500 7.875 3.912 1.00 60.51 C ATOM 393 CD PRO A 29 10.526 7.271 4.904 1.00 54.25 C ATOM 0 HA PRO A 29 13.424 5.873 5.782 1.00 4.42 H new ATOM 0 HB2 PRO A 29 13.646 7.877 3.932 1.00 51.20 H new ATOM 0 HB3 PRO A 29 12.937 6.347 3.455 1.00 51.20 H new ATOM 0 HG2 PRO A 29 11.590 8.950 4.065 1.00 60.51 H new ATOM 0 HG3 PRO A 29 11.152 7.727 2.890 1.00 60.51 H new ATOM 0 HD2 PRO A 29 9.959 8.042 5.425 1.00 54.25 H new ATOM 0 HD3 PRO A 29 9.803 6.624 4.408 1.00 54.25 H new ATOM 401 N GLU A 30 12.487 8.428 7.305 1.00 4.34 N ATOM 402 CA GLU A 30 12.874 9.473 8.241 1.00 13.33 C ATOM 403 C GLU A 30 13.720 8.895 9.373 1.00 53.11 C ATOM 404 O GLU A 30 14.855 9.325 9.592 1.00 42.04 O ATOM 405 CB GLU A 30 11.626 10.175 8.788 1.00 23.42 C ATOM 406 CG GLU A 30 10.764 10.810 7.701 1.00 43.30 C ATOM 407 CD GLU A 30 11.557 11.755 6.809 1.00 4.33 C ATOM 408 OE1 GLU A 30 11.890 11.374 5.664 1.00 40.54 O ATOM 409 OE2 GLU A 30 11.868 12.879 7.256 1.00 50.44 O ATOM 0 H GLU A 30 11.491 8.207 7.314 1.00 4.34 H new ATOM 0 HA GLU A 30 13.481 10.210 7.716 1.00 13.33 H new ATOM 0 HB2 GLU A 30 11.026 9.454 9.342 1.00 23.42 H new ATOM 0 HB3 GLU A 30 11.932 10.946 9.495 1.00 23.42 H new ATOM 0 HG2 GLU A 30 10.319 10.025 7.089 1.00 43.30 H new ATOM 0 HG3 GLU A 30 9.943 11.356 8.165 1.00 43.30 H new ATOM 416 N LEU A 31 13.163 7.920 10.088 1.00 62.22 N ATOM 417 CA LEU A 31 13.898 7.219 11.143 1.00 21.24 C ATOM 418 C LEU A 31 14.393 5.864 10.634 1.00 62.11 C ATOM 419 O LEU A 31 15.295 5.257 11.218 1.00 22.14 O ATOM 420 CB LEU A 31 13.027 7.032 12.399 1.00 62.32 C ATOM 421 CG LEU A 31 12.776 8.297 13.247 1.00 33.00 C ATOM 422 CD1 LEU A 31 11.936 9.324 12.487 1.00 34.52 C ATOM 423 CD2 LEU A 31 12.111 7.927 14.572 1.00 71.12 C ATOM 0 H LEU A 31 12.205 7.596 9.957 1.00 62.22 H new ATOM 0 HA LEU A 31 14.758 7.830 11.417 1.00 21.24 H new ATOM 0 HB2 LEU A 31 12.062 6.629 12.090 1.00 62.32 H new ATOM 0 HB3 LEU A 31 13.498 6.281 13.034 1.00 62.32 H new ATOM 0 HG LEU A 31 13.742 8.755 13.458 1.00 33.00 H new ATOM 0 HD11 LEU A 31 11.779 10.201 13.114 1.00 34.52 H new ATOM 0 HD12 LEU A 31 12.457 9.618 11.576 1.00 34.52 H new ATOM 0 HD13 LEU A 31 10.972 8.886 12.228 1.00 34.52 H new ATOM 0 HD21 LEU A 31 11.941 8.830 15.158 1.00 71.12 H new ATOM 0 HD22 LEU A 31 11.158 7.436 14.376 1.00 71.12 H new ATOM 0 HD23 LEU A 31 12.760 7.250 15.128 1.00 71.12 H new ATOM 435 N GLY A 32 13.787 5.391 9.547 1.00 50.21 N ATOM 436 CA GLY A 32 14.252 4.178 8.895 1.00 64.12 C ATOM 437 C GLY A 32 13.515 2.934 9.355 1.00 44.21 C ATOM 438 O GLY A 32 14.141 1.931 9.700 1.00 32.13 O ATOM 0 H GLY A 32 12.979 5.829 9.105 1.00 50.21 H new ATOM 0 HA2 GLY A 32 14.134 4.285 7.817 1.00 64.12 H new ATOM 0 HA3 GLY A 32 15.317 4.054 9.089 1.00 64.12 H new ATOM 442 N ILE A 33 12.185 2.993 9.363 1.00 41.24 N ATOM 443 CA ILE A 33 11.364 1.825 9.693 1.00 1.03 C ATOM 444 C ILE A 33 10.624 1.367 8.445 1.00 0.00 C ATOM 445 O ILE A 33 10.147 2.191 7.663 1.00 41.01 O ATOM 446 CB ILE A 33 10.321 2.098 10.816 1.00 11.32 C ATOM 447 CG1 ILE A 33 10.994 2.555 12.126 1.00 72.34 C ATOM 448 CG2 ILE A 33 9.467 0.851 11.073 1.00 44.20 C ATOM 449 CD1 ILE A 33 11.499 3.981 12.102 1.00 3.31 C ATOM 0 H ILE A 33 11.651 3.835 9.145 1.00 41.24 H new ATOM 0 HA ILE A 33 12.045 1.058 10.063 1.00 1.03 H new ATOM 0 HB ILE A 33 9.679 2.908 10.470 1.00 11.32 H new ATOM 0 HG12 ILE A 33 10.281 2.448 12.944 1.00 72.34 H new ATOM 0 HG13 ILE A 33 11.830 1.890 12.343 1.00 72.34 H new ATOM 0 HG21 ILE A 33 8.744 1.061 11.861 1.00 44.20 H new ATOM 0 HG22 ILE A 33 8.939 0.577 10.160 1.00 44.20 H new ATOM 0 HG23 ILE A 33 10.110 0.027 11.381 1.00 44.20 H new ATOM 0 HD11 ILE A 33 11.958 4.221 13.061 1.00 3.31 H new ATOM 0 HD12 ILE A 33 12.238 4.092 11.309 1.00 3.31 H new ATOM 0 HD13 ILE A 33 10.666 4.659 11.919 1.00 3.31 H new ATOM 461 N ASN A 34 10.521 0.059 8.263 1.00 11.44 N ATOM 462 CA ASN A 34 9.865 -0.496 7.086 1.00 41.42 C ATOM 463 C ASN A 34 8.716 -1.416 7.495 1.00 44.14 C ATOM 464 O ASN A 34 8.921 -2.471 8.095 1.00 33.15 O ATOM 465 CB ASN A 34 10.878 -1.222 6.171 1.00 20.33 C ATOM 466 CG ASN A 34 11.476 -2.484 6.775 1.00 22.44 C ATOM 467 OD1 ASN A 34 10.939 -3.574 6.603 1.00 53.14 O ATOM 468 ND2 ASN A 34 12.597 -2.352 7.469 1.00 5.22 N ATOM 0 H ASN A 34 10.882 -0.638 8.914 1.00 11.44 H new ATOM 0 HA ASN A 34 9.444 0.328 6.510 1.00 41.42 H new ATOM 0 HB2 ASN A 34 10.383 -1.481 5.235 1.00 20.33 H new ATOM 0 HB3 ASN A 34 11.686 -0.533 5.925 1.00 20.33 H new ATOM 0 HD21 ASN A 34 13.042 -3.173 7.881 1.00 5.22 H new ATOM 0 HD22 ASN A 34 13.015 -1.430 7.592 1.00 5.22 H new ATOM 475 N VAL A 35 7.496 -0.990 7.177 1.00 3.01 N ATOM 476 CA VAL A 35 6.285 -1.737 7.524 1.00 30.44 C ATOM 477 C VAL A 35 6.317 -3.141 6.911 1.00 21.22 C ATOM 478 O VAL A 35 5.750 -4.089 7.460 1.00 72.23 O ATOM 479 CB VAL A 35 5.016 -0.983 7.045 1.00 72.24 C ATOM 480 CG1 VAL A 35 3.743 -1.725 7.457 1.00 33.43 C ATOM 481 CG2 VAL A 35 5.007 0.451 7.580 1.00 15.20 C ATOM 0 H VAL A 35 7.317 -0.121 6.674 1.00 3.01 H new ATOM 0 HA VAL A 35 6.251 -1.828 8.610 1.00 30.44 H new ATOM 0 HB VAL A 35 5.040 -0.943 5.956 1.00 72.24 H new ATOM 0 HG11 VAL A 35 2.871 -1.173 7.108 1.00 33.43 H new ATOM 0 HG12 VAL A 35 3.743 -2.721 7.014 1.00 33.43 H new ATOM 0 HG13 VAL A 35 3.707 -1.811 8.543 1.00 33.43 H new ATOM 0 HG21 VAL A 35 4.109 0.963 7.233 1.00 15.20 H new ATOM 0 HG22 VAL A 35 5.016 0.433 8.670 1.00 15.20 H new ATOM 0 HG23 VAL A 35 5.889 0.980 7.219 1.00 15.20 H new ATOM 491 N VAL A 36 7.010 -3.270 5.782 1.00 33.14 N ATOM 492 CA VAL A 36 7.137 -4.550 5.088 1.00 64.02 C ATOM 493 C VAL A 36 7.774 -5.609 5.993 1.00 31.50 C ATOM 494 O VAL A 36 7.561 -6.802 5.796 1.00 52.03 O ATOM 495 CB VAL A 36 7.943 -4.424 3.766 1.00 33.24 C ATOM 496 CG1 VAL A 36 7.242 -3.478 2.794 1.00 11.14 C ATOM 497 CG2 VAL A 36 9.372 -3.962 4.032 1.00 40.02 C ATOM 0 H VAL A 36 7.496 -2.498 5.325 1.00 33.14 H new ATOM 0 HA VAL A 36 6.126 -4.867 4.832 1.00 64.02 H new ATOM 0 HB VAL A 36 7.991 -5.413 3.309 1.00 33.24 H new ATOM 0 HG11 VAL A 36 7.823 -3.404 1.875 1.00 11.14 H new ATOM 0 HG12 VAL A 36 6.248 -3.863 2.565 1.00 11.14 H new ATOM 0 HG13 VAL A 36 7.153 -2.491 3.247 1.00 11.14 H new ATOM 0 HG21 VAL A 36 9.911 -3.883 3.088 1.00 40.02 H new ATOM 0 HG22 VAL A 36 9.354 -2.988 4.522 1.00 40.02 H new ATOM 0 HG23 VAL A 36 9.874 -4.684 4.677 1.00 40.02 H new ATOM 507 N ASP A 37 8.548 -5.161 6.989 1.00 70.11 N ATOM 508 CA ASP A 37 9.204 -6.064 7.946 1.00 62.12 C ATOM 509 C ASP A 37 8.176 -6.920 8.691 1.00 51.30 C ATOM 510 O ASP A 37 8.483 -8.021 9.149 1.00 23.33 O ATOM 511 CB ASP A 37 10.041 -5.261 8.954 1.00 71.52 C ATOM 512 CG ASP A 37 10.851 -6.140 9.898 1.00 30.25 C ATOM 513 OD1 ASP A 37 11.778 -6.831 9.427 1.00 72.22 O ATOM 514 OD2 ASP A 37 10.593 -6.116 11.120 1.00 25.21 O ATOM 0 H ASP A 37 8.737 -4.172 7.155 1.00 70.11 H new ATOM 0 HA ASP A 37 9.861 -6.726 7.382 1.00 62.12 H new ATOM 0 HB2 ASP A 37 10.718 -4.602 8.411 1.00 71.52 H new ATOM 0 HB3 ASP A 37 9.379 -4.624 9.540 1.00 71.52 H new ATOM 519 N LEU A 38 6.950 -6.406 8.802 1.00 42.32 N ATOM 520 CA LEU A 38 5.860 -7.134 9.457 1.00 4.13 C ATOM 521 C LEU A 38 5.447 -8.343 8.614 1.00 30.21 C ATOM 522 O LEU A 38 4.743 -9.236 9.088 1.00 13.34 O ATOM 523 CB LEU A 38 4.647 -6.211 9.705 1.00 40.34 C ATOM 524 CG LEU A 38 4.779 -5.216 10.876 1.00 44.43 C ATOM 525 CD1 LEU A 38 5.015 -5.954 12.192 1.00 4.53 C ATOM 526 CD2 LEU A 38 5.892 -4.197 10.621 1.00 5.14 C ATOM 0 H LEU A 38 6.686 -5.487 8.447 1.00 42.32 H new ATOM 0 HA LEU A 38 6.220 -7.486 10.424 1.00 4.13 H new ATOM 0 HB2 LEU A 38 4.455 -5.645 8.794 1.00 40.34 H new ATOM 0 HB3 LEU A 38 3.771 -6.835 9.883 1.00 40.34 H new ATOM 0 HG LEU A 38 3.839 -4.670 10.952 1.00 44.43 H new ATOM 0 HD11 LEU A 38 5.105 -5.232 13.003 1.00 4.53 H new ATOM 0 HD12 LEU A 38 4.176 -6.620 12.391 1.00 4.53 H new ATOM 0 HD13 LEU A 38 5.933 -6.537 12.122 1.00 4.53 H new ATOM 0 HD21 LEU A 38 5.958 -3.511 11.466 1.00 5.14 H new ATOM 0 HD22 LEU A 38 6.842 -4.718 10.502 1.00 5.14 H new ATOM 0 HD23 LEU A 38 5.670 -3.635 9.714 1.00 5.14 H new ATOM 538 N GLY A 39 5.887 -8.347 7.357 1.00 32.22 N ATOM 539 CA GLY A 39 5.652 -9.467 6.461 1.00 61.15 C ATOM 540 C GLY A 39 4.182 -9.740 6.205 1.00 1.04 C ATOM 541 O GLY A 39 3.815 -10.852 5.823 1.00 40.25 O ATOM 0 H GLY A 39 6.411 -7.579 6.938 1.00 32.22 H new ATOM 0 HA2 GLY A 39 6.148 -9.271 5.510 1.00 61.15 H new ATOM 0 HA3 GLY A 39 6.111 -10.361 6.882 1.00 61.15 H new ATOM 545 N LEU A 40 3.342 -8.724 6.396 1.00 43.32 N ATOM 546 CA LEU A 40 1.908 -8.855 6.140 1.00 15.01 C ATOM 547 C LEU A 40 1.574 -8.346 4.740 1.00 20.41 C ATOM 548 O LEU A 40 0.521 -8.654 4.190 1.00 14.44 O ATOM 549 CB LEU A 40 1.098 -8.091 7.201 1.00 60.52 C ATOM 550 CG LEU A 40 -0.435 -8.210 7.074 1.00 30.03 C ATOM 551 CD1 LEU A 40 -0.871 -9.674 7.052 1.00 3.02 C ATOM 552 CD2 LEU A 40 -1.132 -7.461 8.207 1.00 42.02 C ATOM 0 H LEU A 40 3.629 -7.803 6.727 1.00 43.32 H new ATOM 0 HA LEU A 40 1.639 -9.909 6.200 1.00 15.01 H new ATOM 0 HB2 LEU A 40 1.393 -8.450 8.187 1.00 60.52 H new ATOM 0 HB3 LEU A 40 1.369 -7.036 7.151 1.00 60.52 H new ATOM 0 HG LEU A 40 -0.729 -7.754 6.128 1.00 30.03 H new ATOM 0 HD11 LEU A 40 -1.956 -9.729 6.962 1.00 3.02 H new ATOM 0 HD12 LEU A 40 -0.410 -10.178 6.203 1.00 3.02 H new ATOM 0 HD13 LEU A 40 -0.558 -10.161 7.976 1.00 3.02 H new ATOM 0 HD21 LEU A 40 -2.212 -7.558 8.097 1.00 42.02 H new ATOM 0 HD22 LEU A 40 -0.825 -7.882 9.164 1.00 42.02 H new ATOM 0 HD23 LEU A 40 -0.857 -6.407 8.169 1.00 42.02 H new ATOM 564 N VAL A 41 2.508 -7.591 4.156 1.00 54.14 N ATOM 565 CA VAL A 41 2.341 -7.044 2.807 1.00 12.24 C ATOM 566 C VAL A 41 2.151 -8.173 1.786 1.00 11.31 C ATOM 567 O VAL A 41 1.701 -7.947 0.663 1.00 54.43 O ATOM 568 CB VAL A 41 3.558 -6.168 2.411 1.00 75.33 C ATOM 569 CG1 VAL A 41 3.365 -5.531 1.034 1.00 13.32 C ATOM 570 CG2 VAL A 41 3.806 -5.095 3.473 1.00 61.04 C ATOM 0 H VAL A 41 3.393 -7.343 4.599 1.00 54.14 H new ATOM 0 HA VAL A 41 1.449 -6.417 2.807 1.00 12.24 H new ATOM 0 HB VAL A 41 4.434 -6.815 2.354 1.00 75.33 H new ATOM 0 HG11 VAL A 41 4.237 -4.924 0.788 1.00 13.32 H new ATOM 0 HG12 VAL A 41 3.245 -6.313 0.285 1.00 13.32 H new ATOM 0 HG13 VAL A 41 2.476 -4.901 1.046 1.00 13.32 H new ATOM 0 HG21 VAL A 41 4.663 -4.487 3.183 1.00 61.04 H new ATOM 0 HG22 VAL A 41 2.924 -4.460 3.562 1.00 61.04 H new ATOM 0 HG23 VAL A 41 4.008 -5.572 4.432 1.00 61.04 H new ATOM 580 N TYR A 42 2.492 -9.395 2.203 1.00 63.12 N ATOM 581 CA TYR A 42 2.266 -10.596 1.398 1.00 41.31 C ATOM 582 C TYR A 42 0.785 -10.727 1.028 1.00 40.41 C ATOM 583 O TYR A 42 0.439 -11.365 0.030 1.00 14.03 O ATOM 584 CB TYR A 42 2.743 -11.840 2.174 1.00 60.44 C ATOM 585 CG TYR A 42 2.333 -13.162 1.545 1.00 30.31 C ATOM 586 CD1 TYR A 42 1.287 -13.910 2.079 1.00 2.44 C ATOM 587 CD2 TYR A 42 2.980 -13.654 0.417 1.00 11.01 C ATOM 588 CE1 TYR A 42 0.896 -15.104 1.506 1.00 55.21 C ATOM 589 CE2 TYR A 42 2.595 -14.850 -0.161 1.00 24.10 C ATOM 590 CZ TYR A 42 1.554 -15.572 0.388 1.00 44.33 C ATOM 591 OH TYR A 42 1.162 -16.766 -0.185 1.00 0.51 O ATOM 0 H TYR A 42 2.931 -9.578 3.105 1.00 63.12 H new ATOM 0 HA TYR A 42 2.838 -10.514 0.474 1.00 41.31 H new ATOM 0 HB2 TYR A 42 3.830 -11.810 2.254 1.00 60.44 H new ATOM 0 HB3 TYR A 42 2.348 -11.795 3.189 1.00 60.44 H new ATOM 0 HD1 TYR A 42 0.772 -13.550 2.957 1.00 2.44 H new ATOM 0 HD2 TYR A 42 3.796 -13.093 -0.015 1.00 11.01 H new ATOM 0 HE1 TYR A 42 0.079 -15.668 1.931 1.00 55.21 H new ATOM 0 HE2 TYR A 42 3.107 -15.218 -1.038 1.00 24.10 H new ATOM 0 HH TYR A 42 1.724 -16.955 -0.965 1.00 0.51 H new ATOM 601 N GLY A 43 -0.076 -10.112 1.838 1.00 54.11 N ATOM 602 CA GLY A 43 -1.504 -10.126 1.587 1.00 41.10 C ATOM 603 C GLY A 43 -1.892 -9.239 0.419 1.00 41.35 C ATOM 604 O GLY A 43 -2.544 -8.207 0.597 1.00 71.02 O ATOM 0 H GLY A 43 0.199 -9.598 2.675 1.00 54.11 H new ATOM 0 HA2 GLY A 43 -1.825 -11.148 1.387 1.00 41.10 H new ATOM 0 HA3 GLY A 43 -2.031 -9.796 2.482 1.00 41.10 H new ATOM 608 N LEU A 44 -1.468 -9.636 -0.774 1.00 1.22 N ATOM 609 CA LEU A 44 -1.806 -8.937 -2.007 1.00 71.02 C ATOM 610 C LEU A 44 -2.742 -9.796 -2.841 1.00 31.12 C ATOM 611 O LEU A 44 -2.478 -10.983 -3.048 1.00 15.11 O ATOM 612 CB LEU A 44 -0.537 -8.629 -2.819 1.00 41.23 C ATOM 613 CG LEU A 44 -0.779 -8.131 -4.259 1.00 5.24 C ATOM 614 CD1 LEU A 44 -1.461 -6.765 -4.270 1.00 33.44 C ATOM 615 CD2 LEU A 44 0.525 -8.094 -5.048 1.00 43.34 C ATOM 0 H LEU A 44 -0.877 -10.456 -0.914 1.00 1.22 H new ATOM 0 HA LEU A 44 -2.297 -7.998 -1.751 1.00 71.02 H new ATOM 0 HB2 LEU A 44 0.042 -7.876 -2.285 1.00 41.23 H new ATOM 0 HB3 LEU A 44 0.074 -9.530 -2.862 1.00 41.23 H new ATOM 0 HG LEU A 44 -1.451 -8.839 -4.744 1.00 5.24 H new ATOM 0 HD11 LEU A 44 -1.616 -6.444 -5.300 1.00 33.44 H new ATOM 0 HD12 LEU A 44 -2.423 -6.835 -3.763 1.00 33.44 H new ATOM 0 HD13 LEU A 44 -0.831 -6.040 -3.755 1.00 33.44 H new ATOM 0 HD21 LEU A 44 0.328 -7.740 -6.060 1.00 43.34 H new ATOM 0 HD22 LEU A 44 1.228 -7.420 -4.558 1.00 43.34 H new ATOM 0 HD23 LEU A 44 0.953 -9.096 -5.091 1.00 43.34 H new ATOM 627 N ASP A 45 -3.838 -9.207 -3.305 1.00 41.21 N ATOM 628 CA ASP A 45 -4.756 -9.904 -4.199 1.00 21.20 C ATOM 629 C ASP A 45 -5.573 -8.887 -4.983 1.00 2.22 C ATOM 630 O ASP A 45 -6.412 -8.191 -4.425 1.00 40.33 O ATOM 631 CB ASP A 45 -5.672 -10.841 -3.402 1.00 62.13 C ATOM 632 CG ASP A 45 -6.499 -11.745 -4.297 1.00 71.22 C ATOM 633 OD1 ASP A 45 -5.939 -12.722 -4.845 1.00 40.41 O ATOM 634 OD2 ASP A 45 -7.713 -11.502 -4.441 1.00 1.45 O ATOM 0 H ASP A 45 -4.112 -8.251 -3.078 1.00 41.21 H new ATOM 0 HA ASP A 45 -4.183 -10.511 -4.900 1.00 21.20 H new ATOM 0 HB2 ASP A 45 -5.067 -11.453 -2.733 1.00 62.13 H new ATOM 0 HB3 ASP A 45 -6.338 -10.247 -2.776 1.00 62.13 H new ATOM 639 N VAL A 46 -5.300 -8.772 -6.273 1.00 51.23 N ATOM 640 CA VAL A 46 -5.970 -7.781 -7.109 1.00 13.23 C ATOM 641 C VAL A 46 -7.140 -8.414 -7.854 1.00 62.13 C ATOM 642 O VAL A 46 -6.952 -9.342 -8.643 1.00 51.01 O ATOM 643 CB VAL A 46 -4.993 -7.148 -8.134 1.00 5.42 C ATOM 644 CG1 VAL A 46 -5.683 -6.055 -8.954 1.00 5.51 C ATOM 645 CG2 VAL A 46 -3.751 -6.602 -7.431 1.00 23.53 C ATOM 0 H VAL A 46 -4.620 -9.351 -6.766 1.00 51.23 H new ATOM 0 HA VAL A 46 -6.338 -6.996 -6.449 1.00 13.23 H new ATOM 0 HB VAL A 46 -4.677 -7.930 -8.824 1.00 5.42 H new ATOM 0 HG11 VAL A 46 -4.973 -5.630 -9.664 1.00 5.51 H new ATOM 0 HG12 VAL A 46 -6.526 -6.484 -9.496 1.00 5.51 H new ATOM 0 HG13 VAL A 46 -6.042 -5.272 -8.287 1.00 5.51 H new ATOM 0 HG21 VAL A 46 -3.079 -6.163 -8.168 1.00 23.53 H new ATOM 0 HG22 VAL A 46 -4.047 -5.840 -6.710 1.00 23.53 H new ATOM 0 HG23 VAL A 46 -3.240 -7.413 -6.913 1.00 23.53 H new ATOM 655 N GLN A 47 -8.342 -7.916 -7.595 1.00 70.20 N ATOM 656 CA GLN A 47 -9.535 -8.382 -8.293 1.00 54.34 C ATOM 657 C GLN A 47 -9.853 -7.420 -9.434 1.00 25.22 C ATOM 658 O GLN A 47 -10.066 -6.227 -9.211 1.00 1.51 O ATOM 659 CB GLN A 47 -10.726 -8.472 -7.325 1.00 1.23 C ATOM 660 CG GLN A 47 -10.522 -9.446 -6.168 1.00 30.23 C ATOM 661 CD GLN A 47 -10.304 -10.880 -6.630 1.00 61.44 C ATOM 662 OE1 GLN A 47 -11.257 -11.642 -6.809 1.00 52.23 O ATOM 663 NE2 GLN A 47 -9.049 -11.268 -6.795 1.00 63.53 N ATOM 0 H GLN A 47 -8.518 -7.187 -6.904 1.00 70.20 H new ATOM 0 HA GLN A 47 -9.350 -9.378 -8.696 1.00 54.34 H new ATOM 0 HB2 GLN A 47 -10.925 -7.480 -6.919 1.00 1.23 H new ATOM 0 HB3 GLN A 47 -11.612 -8.771 -7.885 1.00 1.23 H new ATOM 0 HG2 GLN A 47 -9.664 -9.126 -5.578 1.00 30.23 H new ATOM 0 HG3 GLN A 47 -11.392 -9.410 -5.512 1.00 30.23 H new ATOM 0 HE21 GLN A 47 -8.287 -10.609 -6.638 1.00 63.53 H new ATOM 0 HE22 GLN A 47 -8.845 -12.226 -7.080 1.00 63.53 H new ATOM 672 N ASP A 48 -9.872 -7.937 -10.654 1.00 44.15 N ATOM 673 CA ASP A 48 -10.114 -7.113 -11.836 1.00 25.42 C ATOM 674 C ASP A 48 -11.519 -7.357 -12.368 1.00 13.42 C ATOM 675 O ASP A 48 -12.012 -8.487 -12.346 1.00 74.12 O ATOM 676 CB ASP A 48 -9.079 -7.424 -12.928 1.00 51.45 C ATOM 677 CG ASP A 48 -9.215 -8.836 -13.475 1.00 22.04 C ATOM 678 OD1 ASP A 48 -8.895 -9.797 -12.743 1.00 5.03 O ATOM 679 OD2 ASP A 48 -9.639 -8.997 -14.641 1.00 11.23 O ATOM 0 H ASP A 48 -9.723 -8.926 -10.855 1.00 44.15 H new ATOM 0 HA ASP A 48 -10.019 -6.065 -11.552 1.00 25.42 H new ATOM 0 HB2 ASP A 48 -9.191 -6.710 -13.744 1.00 51.45 H new ATOM 0 HB3 ASP A 48 -8.076 -7.290 -12.522 1.00 51.45 H new ATOM 684 N GLY A 49 -12.174 -6.297 -12.815 1.00 2.20 N ATOM 685 CA GLY A 49 -13.489 -6.435 -13.406 1.00 61.32 C ATOM 686 C GLY A 49 -14.075 -5.099 -13.808 1.00 22.01 C ATOM 687 O GLY A 49 -13.567 -4.048 -13.413 1.00 14.03 O ATOM 0 H GLY A 49 -11.818 -5.342 -12.779 1.00 2.20 H new ATOM 0 HA2 GLY A 49 -13.427 -7.081 -14.282 1.00 61.32 H new ATOM 0 HA3 GLY A 49 -14.156 -6.924 -12.696 1.00 61.32 H new ATOM 691 N ASP A 50 -15.153 -5.144 -14.589 1.00 1.13 N ATOM 692 CA ASP A 50 -15.857 -3.935 -15.028 1.00 24.42 C ATOM 693 C ASP A 50 -16.477 -3.210 -13.836 1.00 70.53 C ATOM 694 O ASP A 50 -16.808 -2.024 -13.916 1.00 75.10 O ATOM 695 CB ASP A 50 -16.948 -4.290 -16.049 1.00 63.53 C ATOM 696 CG ASP A 50 -18.078 -5.121 -15.453 1.00 53.30 C ATOM 697 OD1 ASP A 50 -19.248 -4.679 -15.502 1.00 63.10 O ATOM 698 OD2 ASP A 50 -17.804 -6.229 -14.945 1.00 31.55 O ATOM 0 H ASP A 50 -15.563 -6.012 -14.935 1.00 1.13 H new ATOM 0 HA ASP A 50 -15.132 -3.273 -15.501 1.00 24.42 H new ATOM 0 HB2 ASP A 50 -17.361 -3.371 -16.464 1.00 63.53 H new ATOM 0 HB3 ASP A 50 -16.498 -4.840 -16.876 1.00 63.53 H new ATOM 703 N GLU A 51 -16.627 -3.940 -12.734 1.00 64.31 N ATOM 704 CA GLU A 51 -17.139 -3.384 -11.484 1.00 43.23 C ATOM 705 C GLU A 51 -16.102 -2.454 -10.848 1.00 72.42 C ATOM 706 O GLU A 51 -16.401 -1.721 -9.906 1.00 62.50 O ATOM 707 CB GLU A 51 -17.484 -4.523 -10.511 1.00 24.44 C ATOM 708 CG GLU A 51 -18.443 -5.559 -11.092 1.00 42.41 C ATOM 709 CD GLU A 51 -18.664 -6.747 -10.165 1.00 71.50 C ATOM 710 OE1 GLU A 51 -17.713 -7.534 -9.968 1.00 63.21 O ATOM 711 OE2 GLU A 51 -19.788 -6.908 -9.645 1.00 44.42 O ATOM 0 H GLU A 51 -16.397 -4.932 -12.682 1.00 64.31 H new ATOM 0 HA GLU A 51 -18.039 -2.808 -11.700 1.00 43.23 H new ATOM 0 HB2 GLU A 51 -16.563 -5.022 -10.210 1.00 24.44 H new ATOM 0 HB3 GLU A 51 -17.926 -4.098 -9.610 1.00 24.44 H new ATOM 0 HG2 GLU A 51 -19.401 -5.083 -11.300 1.00 42.41 H new ATOM 0 HG3 GLU A 51 -18.051 -5.916 -12.045 1.00 42.41 H new ATOM 718 N GLY A 52 -14.879 -2.500 -11.375 1.00 25.32 N ATOM 719 CA GLY A 52 -13.787 -1.698 -10.853 1.00 72.53 C ATOM 720 C GLY A 52 -12.571 -2.552 -10.543 1.00 72.11 C ATOM 721 O GLY A 52 -12.641 -3.449 -9.699 1.00 45.43 O ATOM 0 H GLY A 52 -14.625 -3.090 -12.167 1.00 25.32 H new ATOM 0 HA2 GLY A 52 -13.519 -0.930 -11.578 1.00 72.53 H new ATOM 0 HA3 GLY A 52 -14.112 -1.183 -9.949 1.00 72.53 H new ATOM 725 N THR A 53 -11.468 -2.303 -11.247 1.00 43.30 N ATOM 726 CA THR A 53 -10.234 -3.043 -11.013 1.00 31.40 C ATOM 727 C THR A 53 -9.632 -2.629 -9.673 1.00 34.22 C ATOM 728 O THR A 53 -9.012 -1.564 -9.552 1.00 11.13 O ATOM 729 CB THR A 53 -9.202 -2.813 -12.137 1.00 24.24 C ATOM 730 OG1 THR A 53 -9.802 -3.060 -13.419 1.00 11.14 O ATOM 731 CG2 THR A 53 -7.986 -3.721 -11.964 1.00 4.31 C ATOM 0 H THR A 53 -11.406 -1.597 -11.981 1.00 43.30 H new ATOM 0 HA THR A 53 -10.482 -4.104 -11.001 1.00 31.40 H new ATOM 0 HB THR A 53 -8.873 -1.775 -12.080 1.00 24.24 H new ATOM 0 HG1 THR A 53 -9.139 -2.909 -14.125 1.00 11.14 H new ATOM 0 HG21 THR A 53 -7.276 -3.536 -12.771 1.00 4.31 H new ATOM 0 HG22 THR A 53 -7.509 -3.512 -11.006 1.00 4.31 H new ATOM 0 HG23 THR A 53 -8.303 -4.763 -11.992 1.00 4.31 H new ATOM 739 N VAL A 54 -9.818 -3.480 -8.680 1.00 43.14 N ATOM 740 CA VAL A 54 -9.458 -3.172 -7.302 1.00 11.43 C ATOM 741 C VAL A 54 -8.312 -4.057 -6.801 1.00 43.41 C ATOM 742 O VAL A 54 -8.374 -5.286 -6.866 1.00 4.54 O ATOM 743 CB VAL A 54 -10.690 -3.314 -6.367 1.00 54.23 C ATOM 744 CG1 VAL A 54 -11.327 -4.694 -6.506 1.00 14.05 C ATOM 745 CG2 VAL A 54 -10.311 -3.025 -4.914 1.00 5.11 C ATOM 0 H VAL A 54 -10.224 -4.408 -8.804 1.00 43.14 H new ATOM 0 HA VAL A 54 -9.115 -2.138 -7.282 1.00 11.43 H new ATOM 0 HB VAL A 54 -11.430 -2.574 -6.672 1.00 54.23 H new ATOM 0 HG11 VAL A 54 -12.187 -4.766 -5.840 1.00 14.05 H new ATOM 0 HG12 VAL A 54 -11.652 -4.843 -7.536 1.00 14.05 H new ATOM 0 HG13 VAL A 54 -10.598 -5.460 -6.241 1.00 14.05 H new ATOM 0 HG21 VAL A 54 -11.191 -3.131 -4.280 1.00 5.11 H new ATOM 0 HG22 VAL A 54 -9.544 -3.729 -4.591 1.00 5.11 H new ATOM 0 HG23 VAL A 54 -9.927 -2.008 -4.834 1.00 5.11 H new ATOM 755 N ALA A 55 -7.253 -3.413 -6.320 1.00 33.11 N ATOM 756 CA ALA A 55 -6.116 -4.112 -5.722 1.00 13.31 C ATOM 757 C ALA A 55 -6.304 -4.222 -4.207 1.00 53.11 C ATOM 758 O ALA A 55 -6.328 -3.206 -3.509 1.00 42.41 O ATOM 759 CB ALA A 55 -4.818 -3.375 -6.042 1.00 31.55 C ATOM 0 H ALA A 55 -7.157 -2.398 -6.332 1.00 33.11 H new ATOM 0 HA ALA A 55 -6.060 -5.116 -6.142 1.00 13.31 H new ATOM 0 HB1 ALA A 55 -3.978 -3.905 -5.592 1.00 31.55 H new ATOM 0 HB2 ALA A 55 -4.682 -3.331 -7.123 1.00 31.55 H new ATOM 0 HB3 ALA A 55 -4.866 -2.363 -5.641 1.00 31.55 H new ATOM 765 N LEU A 56 -6.465 -5.446 -3.705 1.00 53.51 N ATOM 766 CA LEU A 56 -6.629 -5.670 -2.268 1.00 33.50 C ATOM 767 C LEU A 56 -5.262 -5.772 -1.593 1.00 74.34 C ATOM 768 O LEU A 56 -4.458 -6.651 -1.929 1.00 44.32 O ATOM 769 CB LEU A 56 -7.443 -6.949 -2.000 1.00 55.24 C ATOM 770 CG LEU A 56 -8.796 -7.034 -2.724 1.00 75.34 C ATOM 771 CD1 LEU A 56 -9.504 -8.346 -2.393 1.00 65.53 C ATOM 772 CD2 LEU A 56 -9.678 -5.835 -2.373 1.00 12.32 C ATOM 0 H LEU A 56 -6.485 -6.295 -4.269 1.00 53.51 H new ATOM 0 HA LEU A 56 -7.173 -4.822 -1.851 1.00 33.50 H new ATOM 0 HB2 LEU A 56 -6.841 -7.810 -2.290 1.00 55.24 H new ATOM 0 HB3 LEU A 56 -7.619 -7.029 -0.927 1.00 55.24 H new ATOM 0 HG LEU A 56 -8.609 -7.011 -3.798 1.00 75.34 H new ATOM 0 HD11 LEU A 56 -10.460 -8.386 -2.916 1.00 65.53 H new ATOM 0 HD12 LEU A 56 -8.883 -9.184 -2.708 1.00 65.53 H new ATOM 0 HD13 LEU A 56 -9.676 -8.406 -1.318 1.00 65.53 H new ATOM 0 HD21 LEU A 56 -10.630 -5.918 -2.897 1.00 12.32 H new ATOM 0 HD22 LEU A 56 -9.856 -5.817 -1.298 1.00 12.32 H new ATOM 0 HD23 LEU A 56 -9.177 -4.915 -2.673 1.00 12.32 H new ATOM 784 N ILE A 57 -5.008 -4.857 -0.661 1.00 65.40 N ATOM 785 CA ILE A 57 -3.759 -4.819 0.095 1.00 53.45 C ATOM 786 C ILE A 57 -4.054 -5.053 1.579 1.00 11.52 C ATOM 787 O ILE A 57 -4.916 -4.384 2.151 1.00 35.41 O ATOM 788 CB ILE A 57 -3.047 -3.446 -0.062 1.00 4.43 C ATOM 789 CG1 ILE A 57 -2.931 -3.048 -1.545 1.00 11.32 C ATOM 790 CG2 ILE A 57 -1.666 -3.476 0.596 1.00 24.43 C ATOM 791 CD1 ILE A 57 -2.056 -3.968 -2.370 1.00 15.13 C ATOM 0 H ILE A 57 -5.665 -4.119 -0.408 1.00 65.40 H new ATOM 0 HA ILE A 57 -3.105 -5.600 -0.294 1.00 53.45 H new ATOM 0 HB ILE A 57 -3.654 -2.694 0.442 1.00 4.43 H new ATOM 0 HG12 ILE A 57 -3.929 -3.026 -1.982 1.00 11.32 H new ATOM 0 HG13 ILE A 57 -2.533 -2.035 -1.607 1.00 11.32 H new ATOM 0 HG21 ILE A 57 -1.184 -2.506 0.475 1.00 24.43 H new ATOM 0 HG22 ILE A 57 -1.774 -3.698 1.658 1.00 24.43 H new ATOM 0 HG23 ILE A 57 -1.055 -4.246 0.125 1.00 24.43 H new ATOM 0 HD11 ILE A 57 -2.029 -3.616 -3.401 1.00 15.13 H new ATOM 0 HD12 ILE A 57 -1.046 -3.972 -1.961 1.00 15.13 H new ATOM 0 HD13 ILE A 57 -2.463 -4.979 -2.342 1.00 15.13 H new ATOM 803 N ASP A 58 -3.359 -6.003 2.192 1.00 24.45 N ATOM 804 CA ASP A 58 -3.548 -6.303 3.616 1.00 34.43 C ATOM 805 C ASP A 58 -2.338 -5.797 4.410 1.00 54.23 C ATOM 806 O ASP A 58 -1.217 -6.258 4.188 1.00 12.32 O ATOM 807 CB ASP A 58 -3.729 -7.822 3.807 1.00 13.03 C ATOM 808 CG ASP A 58 -4.555 -8.181 5.029 1.00 40.51 C ATOM 809 OD1 ASP A 58 -4.026 -8.842 5.946 1.00 4.22 O ATOM 810 OD2 ASP A 58 -5.755 -7.827 5.059 1.00 31.53 O ATOM 0 H ASP A 58 -2.658 -6.582 1.730 1.00 24.45 H new ATOM 0 HA ASP A 58 -4.442 -5.799 3.983 1.00 34.43 H new ATOM 0 HB2 ASP A 58 -4.206 -8.238 2.920 1.00 13.03 H new ATOM 0 HB3 ASP A 58 -2.748 -8.290 3.890 1.00 13.03 H new ATOM 815 N MET A 59 -2.547 -4.831 5.313 1.00 71.21 N ATOM 816 CA MET A 59 -1.430 -4.229 6.054 1.00 14.04 C ATOM 817 C MET A 59 -1.787 -3.956 7.515 1.00 11.23 C ATOM 818 O MET A 59 -2.945 -4.076 7.936 1.00 42.21 O ATOM 819 CB MET A 59 -0.954 -2.912 5.406 1.00 2.43 C ATOM 820 CG MET A 59 -0.402 -3.055 3.994 1.00 25.22 C ATOM 821 SD MET A 59 0.607 -1.643 3.485 1.00 54.13 S ATOM 822 CE MET A 59 -0.495 -0.258 3.792 1.00 23.42 C ATOM 0 H MET A 59 -3.465 -4.453 5.547 1.00 71.21 H new ATOM 0 HA MET A 59 -0.624 -4.961 6.017 1.00 14.04 H new ATOM 0 HB2 MET A 59 -1.789 -2.212 5.385 1.00 2.43 H new ATOM 0 HB3 MET A 59 -0.184 -2.470 6.039 1.00 2.43 H new ATOM 0 HG2 MET A 59 0.197 -3.963 3.934 1.00 25.22 H new ATOM 0 HG3 MET A 59 -1.231 -3.173 3.296 1.00 25.22 H new ATOM 0 HE1 MET A 59 -0.106 0.633 3.299 1.00 23.42 H new ATOM 0 HE2 MET A 59 -1.485 -0.487 3.399 1.00 23.42 H new ATOM 0 HE3 MET A 59 -0.563 -0.078 4.865 1.00 23.42 H new ATOM 832 N THR A 60 -0.758 -3.597 8.278 1.00 73.43 N ATOM 833 CA THR A 60 -0.898 -3.179 9.662 1.00 12.42 C ATOM 834 C THR A 60 0.294 -2.297 10.047 1.00 31.12 C ATOM 835 O THR A 60 1.421 -2.546 9.613 1.00 52.45 O ATOM 836 CB THR A 60 -0.980 -4.394 10.623 1.00 52.14 C ATOM 837 OG1 THR A 60 -1.228 -3.947 11.963 1.00 25.12 O ATOM 838 CG2 THR A 60 0.300 -5.226 10.591 1.00 21.13 C ATOM 0 H THR A 60 0.206 -3.590 7.945 1.00 73.43 H new ATOM 0 HA THR A 60 -1.828 -2.618 9.755 1.00 12.42 H new ATOM 0 HB THR A 60 -1.803 -5.024 10.286 1.00 52.14 H new ATOM 0 HG1 THR A 60 -2.119 -4.241 12.246 1.00 25.12 H new ATOM 0 HG21 THR A 60 0.204 -6.068 11.277 1.00 21.13 H new ATOM 0 HG22 THR A 60 0.467 -5.599 9.580 1.00 21.13 H new ATOM 0 HG23 THR A 60 1.144 -4.606 10.893 1.00 21.13 H new ATOM 846 N LEU A 61 0.041 -1.251 10.825 1.00 31.21 N ATOM 847 CA LEU A 61 1.113 -0.383 11.315 1.00 3.52 C ATOM 848 C LEU A 61 1.708 -0.975 12.595 1.00 13.51 C ATOM 849 O LEU A 61 1.122 -1.883 13.187 1.00 51.32 O ATOM 850 CB LEU A 61 0.591 1.043 11.574 1.00 1.50 C ATOM 851 CG LEU A 61 0.264 1.889 10.325 1.00 64.34 C ATOM 852 CD1 LEU A 61 1.487 2.026 9.420 1.00 3.42 C ATOM 853 CD2 LEU A 61 -0.922 1.308 9.555 1.00 73.12 C ATOM 0 H LEU A 61 -0.894 -0.981 11.131 1.00 31.21 H new ATOM 0 HA LEU A 61 1.890 -0.321 10.553 1.00 3.52 H new ATOM 0 HB2 LEU A 61 -0.309 0.972 12.184 1.00 1.50 H new ATOM 0 HB3 LEU A 61 1.335 1.578 12.164 1.00 1.50 H new ATOM 0 HG LEU A 61 -0.017 2.885 10.666 1.00 64.34 H new ATOM 0 HD11 LEU A 61 1.229 2.627 8.548 1.00 3.42 H new ATOM 0 HD12 LEU A 61 2.293 2.512 9.969 1.00 3.42 H new ATOM 0 HD13 LEU A 61 1.813 1.037 9.096 1.00 3.42 H new ATOM 0 HD21 LEU A 61 -1.127 1.927 8.681 1.00 73.12 H new ATOM 0 HD22 LEU A 61 -0.686 0.294 9.234 1.00 73.12 H new ATOM 0 HD23 LEU A 61 -1.800 1.289 10.200 1.00 73.12 H new ATOM 865 N THR A 62 2.858 -0.448 13.024 1.00 44.02 N ATOM 866 CA THR A 62 3.556 -0.964 14.206 1.00 73.31 C ATOM 867 C THR A 62 2.607 -1.090 15.408 1.00 63.33 C ATOM 868 O THR A 62 2.541 -2.140 16.046 1.00 11.33 O ATOM 869 CB THR A 62 4.781 -0.083 14.576 1.00 22.44 C ATOM 870 OG1 THR A 62 5.411 -0.574 15.767 1.00 3.23 O ATOM 871 CG2 THR A 62 4.391 1.381 14.770 1.00 72.34 C ATOM 0 H THR A 62 3.326 0.336 12.570 1.00 44.02 H new ATOM 0 HA THR A 62 3.919 -1.960 13.951 1.00 73.31 H new ATOM 0 HB THR A 62 5.481 -0.140 13.743 1.00 22.44 H new ATOM 0 HG1 THR A 62 6.182 -0.009 15.986 1.00 3.23 H new ATOM 0 HG21 THR A 62 5.276 1.962 15.028 1.00 72.34 H new ATOM 0 HG22 THR A 62 3.959 1.768 13.847 1.00 72.34 H new ATOM 0 HG23 THR A 62 3.659 1.459 15.574 1.00 72.34 H new ATOM 879 N SER A 63 1.858 -0.027 15.696 1.00 62.11 N ATOM 880 CA SER A 63 0.879 -0.041 16.780 1.00 44.31 C ATOM 881 C SER A 63 -0.537 -0.208 16.217 1.00 40.43 C ATOM 882 O SER A 63 -1.493 -0.446 16.957 1.00 42.42 O ATOM 883 CB SER A 63 0.991 1.259 17.582 1.00 71.35 C ATOM 884 OG SER A 63 2.332 1.487 17.992 1.00 13.02 O ATOM 0 H SER A 63 1.911 0.858 15.191 1.00 62.11 H new ATOM 0 HA SER A 63 1.082 -0.885 17.439 1.00 44.31 H new ATOM 0 HB2 SER A 63 0.644 2.096 16.976 1.00 71.35 H new ATOM 0 HB3 SER A 63 0.342 1.209 18.457 1.00 71.35 H new ATOM 0 HG SER A 63 2.381 2.323 18.501 1.00 13.02 H new ATOM 890 N ALA A 64 -0.647 -0.063 14.894 1.00 75.01 N ATOM 891 CA ALA A 64 -1.915 -0.213 14.169 1.00 13.12 C ATOM 892 C ALA A 64 -2.962 0.827 14.596 1.00 4.15 C ATOM 893 O ALA A 64 -4.120 0.755 14.184 1.00 12.31 O ATOM 894 CB ALA A 64 -2.457 -1.632 14.332 1.00 40.35 C ATOM 0 H ALA A 64 0.144 0.163 14.291 1.00 75.01 H new ATOM 0 HA ALA A 64 -1.708 -0.033 13.114 1.00 13.12 H new ATOM 0 HB1 ALA A 64 -3.397 -1.727 13.789 1.00 40.35 H new ATOM 0 HB2 ALA A 64 -1.735 -2.345 13.935 1.00 40.35 H new ATOM 0 HB3 ALA A 64 -2.626 -1.838 15.389 1.00 40.35 H new ATOM 900 N ALA A 65 -2.546 1.799 15.407 1.00 51.53 N ATOM 901 CA ALA A 65 -3.429 2.882 15.844 1.00 11.22 C ATOM 902 C ALA A 65 -2.884 4.242 15.407 1.00 1.11 C ATOM 903 O ALA A 65 -3.606 5.240 15.398 1.00 43.41 O ATOM 904 CB ALA A 65 -3.604 2.833 17.359 1.00 44.24 C ATOM 0 H ALA A 65 -1.597 1.859 15.777 1.00 51.53 H new ATOM 0 HA ALA A 65 -4.403 2.746 15.373 1.00 11.22 H new ATOM 0 HB1 ALA A 65 -4.262 3.642 17.676 1.00 44.24 H new ATOM 0 HB2 ALA A 65 -4.042 1.876 17.644 1.00 44.24 H new ATOM 0 HB3 ALA A 65 -2.633 2.946 17.841 1.00 44.24 H new ATOM 910 N CYS A 66 -1.607 4.265 15.032 1.00 10.14 N ATOM 911 CA CYS A 66 -0.927 5.500 14.656 1.00 4.32 C ATOM 912 C CYS A 66 -1.515 6.091 13.366 1.00 51.32 C ATOM 913 O CYS A 66 -1.916 5.350 12.462 1.00 4.15 O ATOM 914 CB CYS A 66 0.576 5.234 14.503 1.00 65.31 C ATOM 915 SG CYS A 66 0.976 3.807 13.461 1.00 33.33 S ATOM 0 H CYS A 66 -1.019 3.433 14.981 1.00 10.14 H new ATOM 0 HA CYS A 66 -1.079 6.236 15.446 1.00 4.32 H new ATOM 0 HB2 CYS A 66 1.049 6.121 14.082 1.00 65.31 H new ATOM 0 HB3 CYS A 66 1.009 5.080 15.492 1.00 65.31 H new ATOM 0 HG CYS A 66 2.267 3.668 13.393 1.00 33.33 H new ATOM 921 N PRO A 67 -1.568 7.440 13.263 1.00 54.24 N ATOM 922 CA PRO A 67 -2.204 8.151 12.132 1.00 1.05 C ATOM 923 C PRO A 67 -1.390 8.100 10.829 1.00 35.20 C ATOM 924 O PRO A 67 -1.332 9.082 10.085 1.00 10.00 O ATOM 925 CB PRO A 67 -2.321 9.608 12.638 1.00 70.33 C ATOM 926 CG PRO A 67 -1.964 9.564 14.090 1.00 3.34 C ATOM 927 CD PRO A 67 -1.038 8.395 14.251 1.00 74.54 C ATOM 0 HA PRO A 67 -3.156 7.690 11.869 1.00 1.05 H new ATOM 0 HB2 PRO A 67 -1.649 10.268 12.090 1.00 70.33 H new ATOM 0 HB3 PRO A 67 -3.331 9.992 12.495 1.00 70.33 H new ATOM 0 HG2 PRO A 67 -1.481 10.490 14.402 1.00 3.34 H new ATOM 0 HG3 PRO A 67 -2.854 9.445 14.708 1.00 3.34 H new ATOM 0 HD2 PRO A 67 -0.003 8.664 14.042 1.00 74.54 H new ATOM 0 HD3 PRO A 67 -1.065 7.991 15.263 1.00 74.54 H new ATOM 935 N LEU A 68 -0.774 6.956 10.546 1.00 22.44 N ATOM 936 CA LEU A 68 -0.062 6.753 9.283 1.00 64.24 C ATOM 937 C LEU A 68 -0.990 6.111 8.252 1.00 10.22 C ATOM 938 O LEU A 68 -0.674 6.068 7.060 1.00 54.45 O ATOM 939 CB LEU A 68 1.186 5.873 9.488 1.00 33.42 C ATOM 940 CG LEU A 68 2.384 6.542 10.190 1.00 54.13 C ATOM 941 CD1 LEU A 68 2.852 7.769 9.409 1.00 43.13 C ATOM 942 CD2 LEU A 68 2.039 6.910 11.631 1.00 1.21 C ATOM 0 H LEU A 68 -0.752 6.152 11.174 1.00 22.44 H new ATOM 0 HA LEU A 68 0.262 7.727 8.916 1.00 64.24 H new ATOM 0 HB2 LEU A 68 0.896 4.997 10.067 1.00 33.42 H new ATOM 0 HB3 LEU A 68 1.517 5.515 8.513 1.00 33.42 H new ATOM 0 HG LEU A 68 3.204 5.824 10.217 1.00 54.13 H new ATOM 0 HD11 LEU A 68 3.698 8.226 9.922 1.00 43.13 H new ATOM 0 HD12 LEU A 68 3.155 7.468 8.406 1.00 43.13 H new ATOM 0 HD13 LEU A 68 2.037 8.490 9.341 1.00 43.13 H new ATOM 0 HD21 LEU A 68 2.902 7.380 12.103 1.00 1.21 H new ATOM 0 HD22 LEU A 68 1.198 7.604 11.638 1.00 1.21 H new ATOM 0 HD23 LEU A 68 1.770 6.009 12.182 1.00 1.21 H new ATOM 954 N THR A 69 -2.142 5.632 8.729 1.00 13.12 N ATOM 955 CA THR A 69 -3.126 4.945 7.892 1.00 12.33 C ATOM 956 C THR A 69 -3.447 5.743 6.621 1.00 22.12 C ATOM 957 O THR A 69 -3.232 5.260 5.502 1.00 13.02 O ATOM 958 CB THR A 69 -4.427 4.649 8.698 1.00 61.40 C ATOM 959 OG1 THR A 69 -5.452 4.114 7.849 1.00 62.11 O ATOM 960 CG2 THR A 69 -4.953 5.891 9.413 1.00 13.53 C ATOM 0 H THR A 69 -2.418 5.710 9.708 1.00 13.12 H new ATOM 0 HA THR A 69 -2.686 3.997 7.583 1.00 12.33 H new ATOM 0 HB THR A 69 -4.163 3.907 9.452 1.00 61.40 H new ATOM 0 HG1 THR A 69 -5.207 3.206 7.573 1.00 62.11 H new ATOM 0 HG21 THR A 69 -5.860 5.638 9.962 1.00 13.53 H new ATOM 0 HG22 THR A 69 -4.198 6.257 10.109 1.00 13.53 H new ATOM 0 HG23 THR A 69 -5.177 6.666 8.680 1.00 13.53 H new ATOM 968 N ASP A 70 -3.907 6.978 6.794 1.00 54.45 N ATOM 969 CA ASP A 70 -4.355 7.792 5.671 1.00 53.44 C ATOM 970 C ASP A 70 -3.189 8.132 4.753 1.00 74.32 C ATOM 971 O ASP A 70 -3.355 8.223 3.537 1.00 73.32 O ATOM 972 CB ASP A 70 -5.026 9.078 6.175 1.00 52.23 C ATOM 973 CG ASP A 70 -4.100 9.914 7.042 1.00 33.42 C ATOM 974 OD1 ASP A 70 -3.583 10.944 6.562 1.00 11.03 O ATOM 975 OD2 ASP A 70 -3.878 9.535 8.210 1.00 50.11 O ATOM 0 H ASP A 70 -3.979 7.437 7.702 1.00 54.45 H new ATOM 0 HA ASP A 70 -5.085 7.216 5.102 1.00 53.44 H new ATOM 0 HB2 ASP A 70 -5.354 9.672 5.322 1.00 52.23 H new ATOM 0 HB3 ASP A 70 -5.918 8.819 6.745 1.00 52.23 H new ATOM 980 N VAL A 71 -2.005 8.288 5.340 1.00 14.12 N ATOM 981 CA VAL A 71 -0.815 8.633 4.574 1.00 14.45 C ATOM 982 C VAL A 71 -0.462 7.517 3.595 1.00 53.22 C ATOM 983 O VAL A 71 -0.348 7.752 2.394 1.00 34.15 O ATOM 984 CB VAL A 71 0.399 8.904 5.499 1.00 44.32 C ATOM 985 CG1 VAL A 71 1.631 9.306 4.682 1.00 0.22 C ATOM 986 CG2 VAL A 71 0.060 9.969 6.538 1.00 53.40 C ATOM 0 H VAL A 71 -1.846 8.181 6.342 1.00 14.12 H new ATOM 0 HA VAL A 71 -1.042 9.545 4.021 1.00 14.45 H new ATOM 0 HB VAL A 71 0.636 7.980 6.027 1.00 44.32 H new ATOM 0 HG11 VAL A 71 2.469 9.491 5.354 1.00 0.22 H new ATOM 0 HG12 VAL A 71 1.889 8.502 3.993 1.00 0.22 H new ATOM 0 HG13 VAL A 71 1.413 10.212 4.117 1.00 0.22 H new ATOM 0 HG21 VAL A 71 0.926 10.143 7.176 1.00 53.40 H new ATOM 0 HG22 VAL A 71 -0.211 10.896 6.033 1.00 53.40 H new ATOM 0 HG23 VAL A 71 -0.777 9.629 7.147 1.00 53.40 H new ATOM 996 N ILE A 72 -0.332 6.290 4.103 1.00 41.03 N ATOM 997 CA ILE A 72 0.046 5.161 3.257 1.00 23.11 C ATOM 998 C ILE A 72 -1.093 4.746 2.322 1.00 64.24 C ATOM 999 O ILE A 72 -0.841 4.215 1.240 1.00 2.12 O ATOM 1000 CB ILE A 72 0.555 3.959 4.085 1.00 24.43 C ATOM 1001 CG1 ILE A 72 -0.442 3.585 5.188 1.00 25.12 C ATOM 1002 CG2 ILE A 72 1.932 4.274 4.676 1.00 42.24 C ATOM 1003 CD1 ILE A 72 0.114 2.584 6.173 1.00 3.01 C ATOM 0 H ILE A 72 -0.481 6.056 5.085 1.00 41.03 H new ATOM 0 HA ILE A 72 0.875 5.500 2.636 1.00 23.11 H new ATOM 0 HB ILE A 72 0.648 3.099 3.422 1.00 24.43 H new ATOM 0 HG12 ILE A 72 -0.738 4.487 5.723 1.00 25.12 H new ATOM 0 HG13 ILE A 72 -1.343 3.175 4.732 1.00 25.12 H new ATOM 0 HG21 ILE A 72 2.282 3.421 5.258 1.00 42.24 H new ATOM 0 HG22 ILE A 72 2.636 4.477 3.869 1.00 42.24 H new ATOM 0 HG23 ILE A 72 1.859 5.149 5.322 1.00 42.24 H new ATOM 0 HD11 ILE A 72 -0.639 2.360 6.929 1.00 3.01 H new ATOM 0 HD12 ILE A 72 0.384 1.668 5.648 1.00 3.01 H new ATOM 0 HD13 ILE A 72 0.999 3.000 6.655 1.00 3.01 H new ATOM 1015 N GLU A 73 -2.340 5.002 2.725 1.00 21.32 N ATOM 1016 CA GLU A 73 -3.488 4.765 1.842 1.00 70.35 C ATOM 1017 C GLU A 73 -3.452 5.710 0.646 1.00 70.53 C ATOM 1018 O GLU A 73 -3.659 5.294 -0.499 1.00 31.04 O ATOM 1019 CB GLU A 73 -4.809 4.924 2.601 1.00 44.22 C ATOM 1020 CG GLU A 73 -5.122 3.742 3.503 1.00 21.14 C ATOM 1021 CD GLU A 73 -6.400 3.924 4.307 1.00 61.44 C ATOM 1022 OE1 GLU A 73 -7.431 3.312 3.954 1.00 42.11 O ATOM 1023 OE2 GLU A 73 -6.382 4.683 5.300 1.00 0.14 O ATOM 0 H GLU A 73 -2.581 5.369 3.646 1.00 21.32 H new ATOM 0 HA GLU A 73 -3.422 3.739 1.479 1.00 70.35 H new ATOM 0 HB2 GLU A 73 -4.769 5.832 3.202 1.00 44.22 H new ATOM 0 HB3 GLU A 73 -5.620 5.052 1.884 1.00 44.22 H new ATOM 0 HG2 GLU A 73 -5.208 2.842 2.895 1.00 21.14 H new ATOM 0 HG3 GLU A 73 -4.289 3.585 4.188 1.00 21.14 H new ATOM 1030 N ASP A 74 -3.188 6.981 0.927 1.00 62.44 N ATOM 1031 CA ASP A 74 -3.076 8.000 -0.112 1.00 64.14 C ATOM 1032 C ASP A 74 -1.931 7.664 -1.063 1.00 24.23 C ATOM 1033 O ASP A 74 -2.105 7.655 -2.283 1.00 51.32 O ATOM 1034 CB ASP A 74 -2.857 9.379 0.521 1.00 41.14 C ATOM 1035 CG ASP A 74 -2.573 10.462 -0.510 1.00 21.30 C ATOM 1036 OD1 ASP A 74 -1.406 10.896 -0.622 1.00 33.13 O ATOM 1037 OD2 ASP A 74 -3.513 10.886 -1.212 1.00 33.50 O ATOM 0 H ASP A 74 -3.046 7.333 1.874 1.00 62.44 H new ATOM 0 HA ASP A 74 -4.005 8.021 -0.682 1.00 64.14 H new ATOM 0 HB2 ASP A 74 -3.741 9.654 1.096 1.00 41.14 H new ATOM 0 HB3 ASP A 74 -2.024 9.324 1.222 1.00 41.14 H new ATOM 1042 N GLN A 75 -0.766 7.366 -0.490 1.00 70.41 N ATOM 1043 CA GLN A 75 0.411 6.996 -1.272 1.00 33.44 C ATOM 1044 C GLN A 75 0.116 5.772 -2.135 1.00 72.21 C ATOM 1045 O GLN A 75 0.441 5.743 -3.324 1.00 64.42 O ATOM 1046 CB GLN A 75 1.609 6.700 -0.353 1.00 35.10 C ATOM 1047 CG GLN A 75 2.020 7.872 0.531 1.00 55.13 C ATOM 1048 CD GLN A 75 2.336 9.128 -0.258 1.00 3.33 C ATOM 1049 OE1 GLN A 75 2.792 9.064 -1.399 1.00 31.22 O ATOM 1050 NE2 GLN A 75 2.090 10.279 0.343 1.00 62.21 N ATOM 0 H GLN A 75 -0.612 7.374 0.518 1.00 70.41 H new ATOM 0 HA GLN A 75 0.662 7.838 -1.917 1.00 33.44 H new ATOM 0 HB2 GLN A 75 1.364 5.848 0.282 1.00 35.10 H new ATOM 0 HB3 GLN A 75 2.460 6.406 -0.967 1.00 35.10 H new ATOM 0 HG2 GLN A 75 1.218 8.086 1.237 1.00 55.13 H new ATOM 0 HG3 GLN A 75 2.894 7.589 1.117 1.00 55.13 H new ATOM 0 HE21 GLN A 75 1.712 10.289 1.290 1.00 62.21 H new ATOM 0 HE22 GLN A 75 2.278 11.157 -0.140 1.00 62.21 H new ATOM 1059 N SER A 76 -0.516 4.773 -1.524 1.00 3.51 N ATOM 1060 CA SER A 76 -0.841 3.529 -2.207 1.00 13.32 C ATOM 1061 C SER A 76 -1.712 3.802 -3.433 1.00 62.35 C ATOM 1062 O SER A 76 -1.285 3.566 -4.565 1.00 53.53 O ATOM 1063 CB SER A 76 -1.546 2.564 -1.245 1.00 54.35 C ATOM 1064 OG SER A 76 -1.850 1.328 -1.872 1.00 1.41 O ATOM 0 H SER A 76 -0.814 4.804 -0.549 1.00 3.51 H new ATOM 0 HA SER A 76 0.085 3.065 -2.545 1.00 13.32 H new ATOM 0 HB2 SER A 76 -0.910 2.386 -0.378 1.00 54.35 H new ATOM 0 HB3 SER A 76 -2.465 3.022 -0.878 1.00 54.35 H new ATOM 0 HG SER A 76 -1.682 0.593 -1.246 1.00 1.41 H new ATOM 1070 N ARG A 77 -2.922 4.327 -3.211 1.00 0.24 N ATOM 1071 CA ARG A 77 -3.845 4.582 -4.318 1.00 53.50 C ATOM 1072 C ARG A 77 -3.188 5.459 -5.381 1.00 14.32 C ATOM 1073 O ARG A 77 -3.231 5.139 -6.567 1.00 14.02 O ATOM 1074 CB ARG A 77 -5.147 5.241 -3.835 1.00 22.34 C ATOM 1075 CG ARG A 77 -6.201 5.360 -4.936 1.00 5.43 C ATOM 1076 CD ARG A 77 -7.500 5.987 -4.445 1.00 1.10 C ATOM 1077 NE ARG A 77 -8.542 5.940 -5.480 1.00 13.12 N ATOM 1078 CZ ARG A 77 -9.771 6.445 -5.350 1.00 53.44 C ATOM 1079 NH1 ARG A 77 -10.111 7.125 -4.260 1.00 44.43 N ATOM 1080 NH2 ARG A 77 -10.658 6.285 -6.326 1.00 41.01 N ATOM 0 H ARG A 77 -3.279 4.580 -2.290 1.00 0.24 H new ATOM 0 HA ARG A 77 -4.095 3.615 -4.755 1.00 53.50 H new ATOM 0 HB2 ARG A 77 -5.557 4.660 -3.009 1.00 22.34 H new ATOM 0 HB3 ARG A 77 -4.922 6.234 -3.446 1.00 22.34 H new ATOM 0 HG2 ARG A 77 -5.800 5.959 -5.753 1.00 5.43 H new ATOM 0 HG3 ARG A 77 -6.411 4.370 -5.340 1.00 5.43 H new ATOM 0 HD2 ARG A 77 -7.845 5.462 -3.554 1.00 1.10 H new ATOM 0 HD3 ARG A 77 -7.319 7.022 -4.155 1.00 1.10 H new ATOM 0 HE ARG A 77 -8.309 5.488 -6.364 1.00 13.12 H new ATOM 0 HH11 ARG A 77 -9.430 7.265 -3.513 1.00 44.43 H new ATOM 0 HH12 ARG A 77 -11.053 7.507 -4.170 1.00 44.43 H new ATOM 0 HH21 ARG A 77 -10.399 5.777 -7.172 1.00 41.01 H new ATOM 0 HH22 ARG A 77 -11.598 6.670 -6.229 1.00 41.01 H new ATOM 1094 N SER A 78 -2.560 6.546 -4.938 1.00 45.11 N ATOM 1095 CA SER A 78 -1.939 7.508 -5.843 1.00 41.44 C ATOM 1096 C SER A 78 -0.928 6.827 -6.769 1.00 21.21 C ATOM 1097 O SER A 78 -0.916 7.072 -7.978 1.00 74.10 O ATOM 1098 CB SER A 78 -1.250 8.621 -5.043 1.00 35.33 C ATOM 1099 OG SER A 78 -0.649 9.578 -5.902 1.00 43.25 O ATOM 0 H SER A 78 -2.468 6.783 -3.950 1.00 45.11 H new ATOM 0 HA SER A 78 -2.725 7.943 -6.460 1.00 41.44 H new ATOM 0 HB2 SER A 78 -1.979 9.114 -4.400 1.00 35.33 H new ATOM 0 HB3 SER A 78 -0.492 8.187 -4.391 1.00 35.33 H new ATOM 0 HG SER A 78 -0.219 10.276 -5.365 1.00 43.25 H new ATOM 1105 N ALA A 79 -0.089 5.962 -6.207 1.00 71.11 N ATOM 1106 CA ALA A 79 0.955 5.314 -6.990 1.00 74.31 C ATOM 1107 C ALA A 79 0.362 4.248 -7.908 1.00 63.43 C ATOM 1108 O ALA A 79 0.568 4.282 -9.124 1.00 34.30 O ATOM 1109 CB ALA A 79 2.007 4.705 -6.066 1.00 34.43 C ATOM 0 H ALA A 79 -0.111 5.696 -5.222 1.00 71.11 H new ATOM 0 HA ALA A 79 1.435 6.067 -7.615 1.00 74.31 H new ATOM 0 HB1 ALA A 79 2.781 4.224 -6.663 1.00 34.43 H new ATOM 0 HB2 ALA A 79 2.454 5.490 -5.457 1.00 34.43 H new ATOM 0 HB3 ALA A 79 1.537 3.966 -5.417 1.00 34.43 H new ATOM 1115 N LEU A 80 -0.446 3.358 -7.335 1.00 63.02 N ATOM 1116 CA LEU A 80 -1.018 2.237 -8.083 1.00 21.03 C ATOM 1117 C LEU A 80 -1.848 2.733 -9.267 1.00 30.23 C ATOM 1118 O LEU A 80 -1.899 2.086 -10.317 1.00 71.24 O ATOM 1119 CB LEU A 80 -1.859 1.333 -7.163 1.00 61.41 C ATOM 1120 CG LEU A 80 -1.064 0.280 -6.358 1.00 1.11 C ATOM 1121 CD1 LEU A 80 0.009 0.928 -5.486 1.00 71.32 C ATOM 1122 CD2 LEU A 80 -2.008 -0.568 -5.506 1.00 32.44 C ATOM 0 H LEU A 80 -0.721 3.391 -6.353 1.00 63.02 H new ATOM 0 HA LEU A 80 -0.193 1.643 -8.477 1.00 21.03 H new ATOM 0 HB2 LEU A 80 -2.405 1.965 -6.462 1.00 61.41 H new ATOM 0 HB3 LEU A 80 -2.601 0.816 -7.771 1.00 61.41 H new ATOM 0 HG LEU A 80 -0.559 -0.369 -7.073 1.00 1.11 H new ATOM 0 HD11 LEU A 80 0.546 0.155 -4.936 1.00 71.32 H new ATOM 0 HD12 LEU A 80 0.708 1.477 -6.117 1.00 71.32 H new ATOM 0 HD13 LEU A 80 -0.460 1.615 -4.782 1.00 71.32 H new ATOM 0 HD21 LEU A 80 -1.431 -1.304 -4.946 1.00 32.44 H new ATOM 0 HD22 LEU A 80 -2.547 0.075 -4.811 1.00 32.44 H new ATOM 0 HD23 LEU A 80 -2.720 -1.081 -6.153 1.00 32.44 H new ATOM 1134 N VAL A 81 -2.481 3.888 -9.104 1.00 5.31 N ATOM 1135 CA VAL A 81 -3.221 4.508 -10.197 1.00 13.42 C ATOM 1136 C VAL A 81 -2.273 5.323 -11.077 1.00 11.14 C ATOM 1137 O VAL A 81 -2.499 5.474 -12.279 1.00 63.31 O ATOM 1138 CB VAL A 81 -4.376 5.412 -9.686 1.00 42.43 C ATOM 1139 CG1 VAL A 81 -3.855 6.716 -9.084 1.00 11.45 C ATOM 1140 CG2 VAL A 81 -5.387 5.689 -10.800 1.00 23.41 C ATOM 0 H VAL A 81 -2.497 4.413 -8.230 1.00 5.31 H new ATOM 0 HA VAL A 81 -3.668 3.705 -10.783 1.00 13.42 H new ATOM 0 HB VAL A 81 -4.885 4.869 -8.890 1.00 42.43 H new ATOM 0 HG11 VAL A 81 -4.695 7.319 -8.739 1.00 11.45 H new ATOM 0 HG12 VAL A 81 -3.199 6.492 -8.243 1.00 11.45 H new ATOM 0 HG13 VAL A 81 -3.298 7.269 -9.840 1.00 11.45 H new ATOM 0 HG21 VAL A 81 -6.186 6.324 -10.417 1.00 23.41 H new ATOM 0 HG22 VAL A 81 -4.888 6.193 -11.627 1.00 23.41 H new ATOM 0 HG23 VAL A 81 -5.809 4.747 -11.151 1.00 23.41 H new ATOM 1150 N GLY A 82 -1.187 5.813 -10.475 1.00 41.23 N ATOM 1151 CA GLY A 82 -0.285 6.714 -11.172 1.00 55.50 C ATOM 1152 C GLY A 82 0.528 5.997 -12.228 1.00 3.42 C ATOM 1153 O GLY A 82 0.943 6.598 -13.220 1.00 0.21 O ATOM 0 H GLY A 82 -0.918 5.600 -9.515 1.00 41.23 H new ATOM 0 HA2 GLY A 82 -0.860 7.514 -11.638 1.00 55.50 H new ATOM 0 HA3 GLY A 82 0.387 7.182 -10.453 1.00 55.50 H new ATOM 1157 N SER A 83 0.746 4.703 -12.015 1.00 43.43 N ATOM 1158 CA SER A 83 1.482 3.874 -12.969 1.00 32.31 C ATOM 1159 C SER A 83 0.503 3.111 -13.867 1.00 20.20 C ATOM 1160 O SER A 83 0.906 2.334 -14.736 1.00 53.41 O ATOM 1161 CB SER A 83 2.408 2.903 -12.219 1.00 22.14 C ATOM 1162 OG SER A 83 3.201 2.143 -13.118 1.00 51.40 O ATOM 0 H SER A 83 0.423 4.202 -11.187 1.00 43.43 H new ATOM 0 HA SER A 83 2.097 4.515 -13.600 1.00 32.31 H new ATOM 0 HB2 SER A 83 3.056 3.463 -11.545 1.00 22.14 H new ATOM 0 HB3 SER A 83 1.811 2.232 -11.602 1.00 22.14 H new ATOM 0 HG SER A 83 2.690 1.966 -13.935 1.00 51.40 H new ATOM 1168 N GLY A 84 -0.792 3.353 -13.655 1.00 2.52 N ATOM 1169 CA GLY A 84 -1.818 2.704 -14.454 1.00 23.24 C ATOM 1170 C GLY A 84 -1.964 1.227 -14.141 1.00 2.25 C ATOM 1171 O GLY A 84 -2.458 0.461 -14.970 1.00 15.03 O ATOM 0 H GLY A 84 -1.147 3.989 -12.941 1.00 2.52 H new ATOM 0 HA2 GLY A 84 -2.773 3.202 -14.285 1.00 23.24 H new ATOM 0 HA3 GLY A 84 -1.579 2.824 -15.511 1.00 23.24 H new ATOM 1175 N LEU A 85 -1.543 0.828 -12.940 1.00 74.41 N ATOM 1176 CA LEU A 85 -1.647 -0.564 -12.510 1.00 62.11 C ATOM 1177 C LEU A 85 -3.119 -0.933 -12.358 1.00 2.43 C ATOM 1178 O LEU A 85 -3.623 -1.857 -13.001 1.00 24.22 O ATOM 1179 CB LEU A 85 -0.913 -0.771 -11.171 1.00 2.42 C ATOM 1180 CG LEU A 85 0.533 -0.241 -11.115 1.00 43.31 C ATOM 1181 CD1 LEU A 85 1.166 -0.516 -9.750 1.00 12.44 C ATOM 1182 CD2 LEU A 85 1.378 -0.845 -12.231 1.00 33.12 C ATOM 0 H LEU A 85 -1.127 1.451 -12.248 1.00 74.41 H new ATOM 0 HA LEU A 85 -1.183 -1.205 -13.259 1.00 62.11 H new ATOM 0 HB2 LEU A 85 -1.489 -0.287 -10.383 1.00 2.42 H new ATOM 0 HB3 LEU A 85 -0.899 -1.837 -10.946 1.00 2.42 H new ATOM 0 HG LEU A 85 0.498 0.839 -11.261 1.00 43.31 H new ATOM 0 HD11 LEU A 85 2.186 -0.132 -9.738 1.00 12.44 H new ATOM 0 HD12 LEU A 85 0.583 -0.022 -8.972 1.00 12.44 H new ATOM 0 HD13 LEU A 85 1.181 -1.590 -9.566 1.00 12.44 H new ATOM 0 HD21 LEU A 85 2.394 -0.455 -12.170 1.00 33.12 H new ATOM 0 HD22 LEU A 85 1.399 -1.930 -12.125 1.00 33.12 H new ATOM 0 HD23 LEU A 85 0.946 -0.583 -13.197 1.00 33.12 H new ATOM 1194 N VAL A 86 -3.797 -0.176 -11.507 1.00 75.25 N ATOM 1195 CA VAL A 86 -5.223 -0.342 -11.256 1.00 62.51 C ATOM 1196 C VAL A 86 -5.876 1.034 -11.180 1.00 53.23 C ATOM 1197 O VAL A 86 -5.224 2.049 -11.448 1.00 32.05 O ATOM 1198 CB VAL A 86 -5.489 -1.113 -9.933 1.00 24.22 C ATOM 1199 CG1 VAL A 86 -4.944 -2.540 -10.004 1.00 32.20 C ATOM 1200 CG2 VAL A 86 -4.891 -0.367 -8.740 1.00 71.34 C ATOM 0 H VAL A 86 -3.370 0.577 -10.967 1.00 75.25 H new ATOM 0 HA VAL A 86 -5.648 -0.925 -12.073 1.00 62.51 H new ATOM 0 HB VAL A 86 -6.569 -1.173 -9.795 1.00 24.22 H new ATOM 0 HG11 VAL A 86 -5.145 -3.054 -9.064 1.00 32.20 H new ATOM 0 HG12 VAL A 86 -5.429 -3.075 -10.821 1.00 32.20 H new ATOM 0 HG13 VAL A 86 -3.868 -2.510 -10.178 1.00 32.20 H new ATOM 0 HG21 VAL A 86 -5.090 -0.925 -7.825 1.00 71.34 H new ATOM 0 HG22 VAL A 86 -3.814 -0.266 -8.877 1.00 71.34 H new ATOM 0 HG23 VAL A 86 -5.342 0.623 -8.666 1.00 71.34 H new ATOM 1210 N ASP A 87 -7.154 1.076 -10.830 1.00 35.32 N ATOM 1211 CA ASP A 87 -7.846 2.346 -10.624 1.00 42.22 C ATOM 1212 C ASP A 87 -8.351 2.412 -9.194 1.00 42.34 C ATOM 1213 O ASP A 87 -8.284 3.455 -8.539 1.00 33.14 O ATOM 1214 CB ASP A 87 -9.011 2.501 -11.611 1.00 2.24 C ATOM 1215 CG ASP A 87 -9.474 3.947 -11.746 1.00 71.51 C ATOM 1216 OD1 ASP A 87 -10.438 4.348 -11.061 1.00 21.12 O ATOM 1217 OD2 ASP A 87 -8.872 4.693 -12.551 1.00 44.35 O ATOM 0 H ASP A 87 -7.733 0.250 -10.683 1.00 35.32 H new ATOM 0 HA ASP A 87 -7.148 3.164 -10.802 1.00 42.22 H new ATOM 0 HB2 ASP A 87 -8.707 2.128 -12.589 1.00 2.24 H new ATOM 0 HB3 ASP A 87 -9.847 1.885 -11.281 1.00 2.24 H new ATOM 1222 N ASP A 88 -8.830 1.273 -8.708 1.00 2.55 N ATOM 1223 CA ASP A 88 -9.365 1.157 -7.362 1.00 3.21 C ATOM 1224 C ASP A 88 -8.458 0.267 -6.517 1.00 4.44 C ATOM 1225 O ASP A 88 -7.771 -0.617 -7.039 1.00 51.12 O ATOM 1226 CB ASP A 88 -10.778 0.555 -7.408 1.00 33.12 C ATOM 1227 CG ASP A 88 -11.701 1.291 -8.369 1.00 12.11 C ATOM 1228 OD1 ASP A 88 -11.852 0.838 -9.526 1.00 63.40 O ATOM 1229 OD2 ASP A 88 -12.263 2.331 -7.978 1.00 63.15 O ATOM 0 H ASP A 88 -8.857 0.403 -9.240 1.00 2.55 H new ATOM 0 HA ASP A 88 -9.413 2.150 -6.915 1.00 3.21 H new ATOM 0 HB2 ASP A 88 -10.713 -0.492 -7.704 1.00 33.12 H new ATOM 0 HB3 ASP A 88 -11.210 0.577 -6.408 1.00 33.12 H new ATOM 1234 N ILE A 89 -8.445 0.507 -5.215 1.00 12.23 N ATOM 1235 CA ILE A 89 -7.714 -0.343 -4.278 1.00 60.32 C ATOM 1236 C ILE A 89 -8.536 -0.529 -3.013 1.00 32.24 C ATOM 1237 O ILE A 89 -9.560 0.130 -2.825 1.00 21.41 O ATOM 1238 CB ILE A 89 -6.328 0.237 -3.879 1.00 11.42 C ATOM 1239 CG1 ILE A 89 -6.488 1.520 -3.048 1.00 62.04 C ATOM 1240 CG2 ILE A 89 -5.468 0.496 -5.118 1.00 15.13 C ATOM 1241 CD1 ILE A 89 -5.204 1.979 -2.389 1.00 24.22 C ATOM 0 H ILE A 89 -8.935 1.288 -4.778 1.00 12.23 H new ATOM 0 HA ILE A 89 -7.544 -1.291 -4.788 1.00 60.32 H new ATOM 0 HB ILE A 89 -5.819 -0.504 -3.262 1.00 11.42 H new ATOM 0 HG12 ILE A 89 -6.861 2.316 -3.692 1.00 62.04 H new ATOM 0 HG13 ILE A 89 -7.242 1.353 -2.279 1.00 62.04 H new ATOM 0 HG21 ILE A 89 -4.503 0.902 -4.813 1.00 15.13 H new ATOM 0 HG22 ILE A 89 -5.315 -0.439 -5.656 1.00 15.13 H new ATOM 0 HG23 ILE A 89 -5.973 1.210 -5.768 1.00 15.13 H new ATOM 0 HD11 ILE A 89 -5.392 2.889 -1.820 1.00 24.22 H new ATOM 0 HD12 ILE A 89 -4.841 1.200 -1.718 1.00 24.22 H new ATOM 0 HD13 ILE A 89 -4.454 2.178 -3.154 1.00 24.22 H new ATOM 1253 N ARG A 90 -8.090 -1.433 -2.157 1.00 73.52 N ATOM 1254 CA ARG A 90 -8.685 -1.611 -0.843 1.00 74.14 C ATOM 1255 C ARG A 90 -7.619 -2.064 0.145 1.00 63.22 C ATOM 1256 O ARG A 90 -7.167 -3.208 0.095 1.00 25.31 O ATOM 1257 CB ARG A 90 -9.819 -2.638 -0.883 1.00 51.14 C ATOM 1258 CG ARG A 90 -10.438 -2.907 0.485 1.00 20.34 C ATOM 1259 CD ARG A 90 -11.072 -1.654 1.096 1.00 5.43 C ATOM 1260 NE ARG A 90 -10.453 -1.281 2.376 1.00 2.54 N ATOM 1261 CZ ARG A 90 -11.100 -1.260 3.548 1.00 71.13 C ATOM 1262 NH1 ARG A 90 -12.375 -1.603 3.619 1.00 41.11 N ATOM 1263 NH2 ARG A 90 -10.466 -0.897 4.651 1.00 21.11 N ATOM 0 H ARG A 90 -7.310 -2.061 -2.351 1.00 73.52 H new ATOM 0 HA ARG A 90 -9.101 -0.655 -0.525 1.00 74.14 H new ATOM 0 HB2 ARG A 90 -10.595 -2.286 -1.562 1.00 51.14 H new ATOM 0 HB3 ARG A 90 -9.438 -3.574 -1.292 1.00 51.14 H new ATOM 0 HG2 ARG A 90 -11.195 -3.685 0.391 1.00 20.34 H new ATOM 0 HG3 ARG A 90 -9.671 -3.288 1.159 1.00 20.34 H new ATOM 0 HD2 ARG A 90 -10.979 -0.824 0.395 1.00 5.43 H new ATOM 0 HD3 ARG A 90 -12.138 -1.826 1.247 1.00 5.43 H new ATOM 0 HE ARG A 90 -9.467 -1.021 2.371 1.00 2.54 H new ATOM 0 HH11 ARG A 90 -12.874 -1.887 2.776 1.00 41.11 H new ATOM 0 HH12 ARG A 90 -12.859 -1.584 4.517 1.00 41.11 H new ATOM 0 HH21 ARG A 90 -9.482 -0.632 4.610 1.00 21.11 H new ATOM 0 HH22 ARG A 90 -10.961 -0.882 5.542 1.00 21.11 H new ATOM 1277 N ILE A 91 -7.207 -1.165 1.030 1.00 74.41 N ATOM 1278 CA ILE A 91 -6.269 -1.518 2.086 1.00 72.53 C ATOM 1279 C ILE A 91 -7.032 -1.902 3.347 1.00 31.32 C ATOM 1280 O ILE A 91 -7.831 -1.118 3.864 1.00 1.31 O ATOM 1281 CB ILE A 91 -5.284 -0.367 2.404 1.00 41.42 C ATOM 1282 CG1 ILE A 91 -4.484 0.011 1.146 1.00 11.51 C ATOM 1283 CG2 ILE A 91 -4.342 -0.772 3.541 1.00 73.22 C ATOM 1284 CD1 ILE A 91 -3.458 1.098 1.380 1.00 2.13 C ATOM 0 H ILE A 91 -7.507 -0.190 1.037 1.00 74.41 H new ATOM 0 HA ILE A 91 -5.682 -2.365 1.731 1.00 72.53 H new ATOM 0 HB ILE A 91 -5.855 0.505 2.725 1.00 41.42 H new ATOM 0 HG12 ILE A 91 -3.979 -0.877 0.767 1.00 11.51 H new ATOM 0 HG13 ILE A 91 -5.177 0.339 0.371 1.00 11.51 H new ATOM 0 HG21 ILE A 91 -3.655 0.047 3.754 1.00 73.22 H new ATOM 0 HG22 ILE A 91 -4.925 -0.998 4.434 1.00 73.22 H new ATOM 0 HG23 ILE A 91 -3.774 -1.654 3.246 1.00 73.22 H new ATOM 0 HD11 ILE A 91 -2.934 1.310 0.448 1.00 2.13 H new ATOM 0 HD12 ILE A 91 -3.958 2.001 1.729 1.00 2.13 H new ATOM 0 HD13 ILE A 91 -2.742 0.766 2.132 1.00 2.13 H new ATOM 1296 N ASN A 92 -6.805 -3.119 3.811 1.00 62.32 N ATOM 1297 CA ASN A 92 -7.430 -3.617 5.030 1.00 72.20 C ATOM 1298 C ASN A 92 -6.448 -3.525 6.187 1.00 12.24 C ATOM 1299 O ASN A 92 -5.281 -3.906 6.052 1.00 41.22 O ATOM 1300 CB ASN A 92 -7.901 -5.065 4.834 1.00 43.30 C ATOM 1301 CG ASN A 92 -8.445 -5.691 6.110 1.00 32.31 C ATOM 1302 OD1 ASN A 92 -7.601 -6.423 6.818 1.00 1.01 O flip ATOM 1303 ND2 ASN A 92 -9.624 -5.550 6.432 1.00 4.30 N flip ATOM 0 H ASN A 92 -6.185 -3.790 3.357 1.00 62.32 H new ATOM 0 HA ASN A 92 -8.301 -3.003 5.260 1.00 72.20 H new ATOM 0 HB2 ASN A 92 -8.674 -5.089 4.066 1.00 43.30 H new ATOM 0 HB3 ASN A 92 -7.069 -5.666 4.467 1.00 43.30 H new ATOM 0 HD21 ASN A 92 -10.244 -4.977 5.860 1.00 4.30 H new ATOM 0 HD22 ASN A 92 -9.981 -6.006 7.271 1.00 4.30 H new ATOM 1310 N TRP A 93 -6.917 -3.002 7.312 1.00 53.24 N ATOM 1311 CA TRP A 93 -6.080 -2.835 8.490 1.00 75.51 C ATOM 1312 C TRP A 93 -6.295 -3.982 9.459 1.00 44.11 C ATOM 1313 O TRP A 93 -7.334 -4.064 10.115 1.00 52.04 O ATOM 1314 CB TRP A 93 -6.381 -1.498 9.181 1.00 73.11 C ATOM 1315 CG TRP A 93 -6.067 -0.312 8.321 1.00 12.32 C ATOM 1316 CD1 TRP A 93 -6.901 0.718 7.988 1.00 21.40 C ATOM 1317 CD2 TRP A 93 -4.825 -0.053 7.660 1.00 30.13 C ATOM 1318 NE1 TRP A 93 -6.241 1.611 7.178 1.00 12.11 N ATOM 1319 CE2 TRP A 93 -4.970 1.156 6.962 1.00 3.33 C ATOM 1320 CE3 TRP A 93 -3.600 -0.726 7.601 1.00 43.11 C ATOM 1321 CZ2 TRP A 93 -3.940 1.704 6.209 1.00 33.32 C ATOM 1322 CZ3 TRP A 93 -2.580 -0.179 6.852 1.00 70.50 C ATOM 1323 CH2 TRP A 93 -2.756 1.025 6.167 1.00 32.44 C ATOM 0 H TRP A 93 -7.879 -2.685 7.433 1.00 53.24 H new ATOM 0 HA TRP A 93 -5.038 -2.835 8.171 1.00 75.51 H new ATOM 0 HB2 TRP A 93 -7.434 -1.469 9.461 1.00 73.11 H new ATOM 0 HB3 TRP A 93 -5.804 -1.434 10.104 1.00 73.11 H new ATOM 0 HD1 TRP A 93 -7.926 0.816 8.313 1.00 21.40 H new ATOM 0 HE1 TRP A 93 -6.635 2.472 6.800 1.00 12.11 H new ATOM 0 HE3 TRP A 93 -3.456 -1.656 8.132 1.00 43.11 H new ATOM 0 HZ2 TRP A 93 -4.071 2.634 5.676 1.00 33.32 H new ATOM 0 HZ3 TRP A 93 -1.630 -0.690 6.794 1.00 70.50 H new ATOM 0 HH2 TRP A 93 -1.937 1.429 5.591 1.00 32.44 H new ATOM 1334 N VAL A 94 -5.318 -4.876 9.541 1.00 41.40 N ATOM 1335 CA VAL A 94 -5.403 -5.986 10.478 1.00 63.30 C ATOM 1336 C VAL A 94 -4.825 -5.560 11.822 1.00 20.00 C ATOM 1337 O VAL A 94 -3.684 -5.116 11.901 1.00 34.52 O ATOM 1338 CB VAL A 94 -4.640 -7.231 9.970 1.00 1.45 C ATOM 1339 CG1 VAL A 94 -4.895 -8.434 10.878 1.00 3.41 C ATOM 1340 CG2 VAL A 94 -5.021 -7.543 8.523 1.00 63.44 C ATOM 0 H VAL A 94 -4.468 -4.855 8.977 1.00 41.40 H new ATOM 0 HA VAL A 94 -6.455 -6.254 10.580 1.00 63.30 H new ATOM 0 HB VAL A 94 -3.572 -7.013 9.998 1.00 1.45 H new ATOM 0 HG11 VAL A 94 -4.348 -9.298 10.500 1.00 3.41 H new ATOM 0 HG12 VAL A 94 -4.558 -8.205 11.889 1.00 3.41 H new ATOM 0 HG13 VAL A 94 -5.961 -8.659 10.893 1.00 3.41 H new ATOM 0 HG21 VAL A 94 -4.473 -8.422 8.184 1.00 63.44 H new ATOM 0 HG22 VAL A 94 -6.092 -7.737 8.462 1.00 63.44 H new ATOM 0 HG23 VAL A 94 -4.770 -6.693 7.889 1.00 63.44 H new ATOM 1350 N TRP A 95 -5.621 -5.690 12.871 1.00 45.13 N ATOM 1351 CA TRP A 95 -5.174 -5.372 14.221 1.00 41.13 C ATOM 1352 C TRP A 95 -4.859 -6.660 14.966 1.00 33.23 C ATOM 1353 O TRP A 95 -3.914 -6.729 15.753 1.00 51.11 O ATOM 1354 CB TRP A 95 -6.263 -4.574 14.953 1.00 43.15 C ATOM 1355 CG TRP A 95 -6.767 -3.408 14.153 1.00 74.32 C ATOM 1356 CD1 TRP A 95 -6.074 -2.281 13.825 1.00 14.44 C ATOM 1357 CD2 TRP A 95 -8.067 -3.263 13.569 1.00 14.31 C ATOM 1358 NE1 TRP A 95 -6.863 -1.441 13.078 1.00 64.05 N ATOM 1359 CE2 TRP A 95 -8.090 -2.021 12.906 1.00 42.03 C ATOM 1360 CE3 TRP A 95 -9.216 -4.063 13.543 1.00 34.44 C ATOM 1361 CZ2 TRP A 95 -9.216 -1.559 12.226 1.00 72.43 C ATOM 1362 CZ3 TRP A 95 -10.331 -3.604 12.866 1.00 3.21 C ATOM 1363 CH2 TRP A 95 -10.324 -2.363 12.216 1.00 53.11 C ATOM 0 H TRP A 95 -6.586 -6.015 12.814 1.00 45.13 H new ATOM 0 HA TRP A 95 -4.271 -4.763 14.176 1.00 41.13 H new ATOM 0 HB2 TRP A 95 -7.097 -5.236 15.187 1.00 43.15 H new ATOM 0 HB3 TRP A 95 -5.867 -4.213 15.902 1.00 43.15 H new ATOM 0 HD1 TRP A 95 -5.053 -2.078 14.111 1.00 14.44 H new ATOM 0 HE1 TRP A 95 -6.580 -0.532 12.711 1.00 64.05 H new ATOM 0 HE3 TRP A 95 -9.231 -5.021 14.042 1.00 34.44 H new ATOM 0 HZ2 TRP A 95 -9.214 -0.602 11.725 1.00 72.43 H new ATOM 0 HZ3 TRP A 95 -11.223 -4.213 12.838 1.00 3.21 H new ATOM 0 HH2 TRP A 95 -11.211 -2.034 11.696 1.00 53.11 H new ATOM 1374 N ASN A 96 -5.651 -7.681 14.657 1.00 23.11 N ATOM 1375 CA ASN A 96 -5.588 -8.989 15.309 1.00 31.03 C ATOM 1376 C ASN A 96 -6.819 -9.817 14.904 1.00 72.04 C ATOM 1377 O ASN A 96 -6.693 -11.004 14.596 1.00 72.24 O ATOM 1378 CB ASN A 96 -5.509 -8.861 16.843 1.00 13.41 C ATOM 1379 CG ASN A 96 -5.265 -10.192 17.535 1.00 74.50 C ATOM 1380 OD1 ASN A 96 -6.205 -10.901 17.891 1.00 44.31 O ATOM 1381 ND2 ASN A 96 -4.001 -10.536 17.738 1.00 32.24 N ATOM 0 H ASN A 96 -6.368 -7.624 13.934 1.00 23.11 H new ATOM 0 HA ASN A 96 -4.679 -9.493 14.981 1.00 31.03 H new ATOM 0 HB2 ASN A 96 -4.708 -8.169 17.104 1.00 13.41 H new ATOM 0 HB3 ASN A 96 -6.438 -8.429 17.215 1.00 13.41 H new ATOM 0 HD21 ASN A 96 -3.781 -11.416 18.204 1.00 32.24 H new ATOM 0 HD22 ASN A 96 -3.249 -9.921 17.428 1.00 32.24 H new ATOM 1388 N PRO A 97 -8.038 -9.200 14.899 1.00 62.54 N ATOM 1389 CA PRO A 97 -9.256 -9.851 14.375 1.00 15.12 C ATOM 1390 C PRO A 97 -9.124 -10.228 12.891 1.00 24.45 C ATOM 1391 O PRO A 97 -8.263 -9.696 12.185 1.00 11.54 O ATOM 1392 CB PRO A 97 -10.349 -8.783 14.564 1.00 12.55 C ATOM 1393 CG PRO A 97 -9.835 -7.902 15.646 1.00 25.03 C ATOM 1394 CD PRO A 97 -8.347 -7.857 15.445 1.00 64.35 C ATOM 0 HA PRO A 97 -9.468 -10.788 14.890 1.00 15.12 H new ATOM 0 HB2 PRO A 97 -10.518 -8.223 13.644 1.00 12.55 H new ATOM 0 HB3 PRO A 97 -11.301 -9.236 14.841 1.00 12.55 H new ATOM 0 HG2 PRO A 97 -10.271 -6.905 15.582 1.00 25.03 H new ATOM 0 HG3 PRO A 97 -10.088 -8.298 16.630 1.00 25.03 H new ATOM 0 HD2 PRO A 97 -8.058 -7.065 14.754 1.00 64.35 H new ATOM 0 HD3 PRO A 97 -7.820 -7.672 16.381 1.00 64.35 H new ATOM 1402 N PRO A 98 -9.978 -11.153 12.404 1.00 51.22 N ATOM 1403 CA PRO A 98 -9.946 -11.621 11.012 1.00 23.14 C ATOM 1404 C PRO A 98 -10.467 -10.578 10.018 1.00 41.11 C ATOM 1405 O PRO A 98 -10.835 -9.461 10.395 1.00 15.11 O ATOM 1406 CB PRO A 98 -10.859 -12.868 11.018 1.00 41.24 C ATOM 1407 CG PRO A 98 -11.146 -13.149 12.460 1.00 33.42 C ATOM 1408 CD PRO A 98 -11.035 -11.829 13.167 1.00 71.25 C ATOM 0 HA PRO A 98 -8.926 -11.827 10.688 1.00 23.14 H new ATOM 0 HB2 PRO A 98 -11.779 -12.683 10.464 1.00 41.24 H new ATOM 0 HB3 PRO A 98 -10.367 -13.717 10.544 1.00 41.24 H new ATOM 0 HG2 PRO A 98 -12.141 -13.576 12.584 1.00 33.42 H new ATOM 0 HG3 PRO A 98 -10.437 -13.870 12.866 1.00 33.42 H new ATOM 0 HD2 PRO A 98 -11.973 -11.274 13.142 1.00 71.25 H new ATOM 0 HD3 PRO A 98 -10.765 -11.951 14.216 1.00 71.25 H new ATOM 1416 N TRP A 99 -10.507 -10.971 8.747 1.00 14.43 N ATOM 1417 CA TRP A 99 -10.920 -10.089 7.658 1.00 33.05 C ATOM 1418 C TRP A 99 -12.436 -10.173 7.444 1.00 50.50 C ATOM 1419 O TRP A 99 -13.162 -10.652 8.316 1.00 61.43 O ATOM 1420 CB TRP A 99 -10.180 -10.486 6.376 1.00 11.42 C ATOM 1421 CG TRP A 99 -8.696 -10.621 6.561 1.00 74.32 C ATOM 1422 CD1 TRP A 99 -7.776 -9.617 6.554 1.00 33.44 C ATOM 1423 CD2 TRP A 99 -7.965 -11.831 6.791 1.00 50.12 C ATOM 1424 NE1 TRP A 99 -6.518 -10.127 6.740 1.00 12.45 N ATOM 1425 CE2 TRP A 99 -6.606 -11.482 6.894 1.00 54.52 C ATOM 1426 CE3 TRP A 99 -8.326 -13.176 6.910 1.00 70.41 C ATOM 1427 CZ2 TRP A 99 -5.610 -12.427 7.115 1.00 12.11 C ATOM 1428 CZ3 TRP A 99 -7.336 -14.114 7.133 1.00 61.22 C ATOM 1429 CH2 TRP A 99 -5.992 -13.735 7.231 1.00 53.31 C ATOM 0 H TRP A 99 -10.254 -11.911 8.443 1.00 14.43 H new ATOM 0 HA TRP A 99 -10.670 -9.060 7.917 1.00 33.05 H new ATOM 0 HB2 TRP A 99 -10.581 -11.432 6.012 1.00 11.42 H new ATOM 0 HB3 TRP A 99 -10.376 -9.740 5.606 1.00 11.42 H new ATOM 0 HD1 TRP A 99 -8.005 -8.570 6.421 1.00 33.44 H new ATOM 0 HE1 TRP A 99 -5.655 -9.583 6.760 1.00 12.45 H new ATOM 0 HE3 TRP A 99 -9.360 -13.477 6.829 1.00 70.41 H new ATOM 0 HZ2 TRP A 99 -4.572 -12.138 7.192 1.00 12.11 H new ATOM 0 HZ3 TRP A 99 -7.603 -15.156 7.233 1.00 61.22 H new ATOM 0 HH2 TRP A 99 -5.241 -14.492 7.402 1.00 53.31 H new ATOM 1440 N GLY A 100 -12.908 -9.706 6.286 1.00 73.45 N ATOM 1441 CA GLY A 100 -14.329 -9.757 5.979 1.00 52.12 C ATOM 1442 C GLY A 100 -14.670 -9.039 4.683 1.00 52.22 C ATOM 1443 O GLY A 100 -13.770 -8.569 3.980 1.00 32.33 O ATOM 0 H GLY A 100 -12.329 -9.293 5.555 1.00 73.45 H new ATOM 0 HA2 GLY A 100 -14.645 -10.798 5.908 1.00 52.12 H new ATOM 0 HA3 GLY A 100 -14.891 -9.308 6.798 1.00 52.12 H new ATOM 1447 N PRO A 101 -15.975 -8.909 4.356 1.00 30.34 N ATOM 1448 CA PRO A 101 -16.437 -8.251 3.117 1.00 41.22 C ATOM 1449 C PRO A 101 -16.046 -6.771 3.058 1.00 50.44 C ATOM 1450 O PRO A 101 -16.261 -6.093 2.048 1.00 11.11 O ATOM 1451 CB PRO A 101 -17.967 -8.403 3.172 1.00 3.12 C ATOM 1452 CG PRO A 101 -18.279 -8.635 4.614 1.00 21.02 C ATOM 1453 CD PRO A 101 -17.108 -9.401 5.166 1.00 2.21 C ATOM 0 HA PRO A 101 -15.985 -8.698 2.231 1.00 41.22 H new ATOM 0 HB2 PRO A 101 -18.466 -7.509 2.799 1.00 3.12 H new ATOM 0 HB3 PRO A 101 -18.304 -9.237 2.556 1.00 3.12 H new ATOM 0 HG2 PRO A 101 -18.413 -7.691 5.142 1.00 21.02 H new ATOM 0 HG3 PRO A 101 -19.205 -9.199 4.728 1.00 21.02 H new ATOM 0 HD2 PRO A 101 -16.961 -9.203 6.228 1.00 2.21 H new ATOM 0 HD3 PRO A 101 -17.243 -10.477 5.058 1.00 2.21 H new ATOM 1461 N ASP A 102 -15.470 -6.275 4.151 1.00 44.32 N ATOM 1462 CA ASP A 102 -14.990 -4.895 4.224 1.00 40.05 C ATOM 1463 C ASP A 102 -13.967 -4.621 3.120 1.00 14.34 C ATOM 1464 O ASP A 102 -13.751 -3.476 2.726 1.00 34.41 O ATOM 1465 CB ASP A 102 -14.374 -4.615 5.606 1.00 44.44 C ATOM 1466 CG ASP A 102 -13.845 -3.193 5.741 1.00 22.33 C ATOM 1467 OD1 ASP A 102 -12.649 -3.016 6.048 1.00 0.13 O ATOM 1468 OD2 ASP A 102 -14.622 -2.239 5.536 1.00 2.31 O ATOM 0 H ASP A 102 -15.323 -6.813 5.005 1.00 44.32 H new ATOM 0 HA ASP A 102 -15.839 -4.227 4.079 1.00 40.05 H new ATOM 0 HB2 ASP A 102 -15.125 -4.793 6.376 1.00 44.44 H new ATOM 0 HB3 ASP A 102 -13.561 -5.318 5.785 1.00 44.44 H new ATOM 1473 N LYS A 103 -13.385 -5.689 2.579 1.00 14.03 N ATOM 1474 CA LYS A 103 -12.371 -5.557 1.537 1.00 62.30 C ATOM 1475 C LYS A 103 -12.999 -5.218 0.182 1.00 14.03 C ATOM 1476 O LYS A 103 -12.305 -5.163 -0.833 1.00 3.41 O ATOM 1477 CB LYS A 103 -11.512 -6.829 1.437 1.00 63.30 C ATOM 1478 CG LYS A 103 -10.628 -7.058 2.662 1.00 42.01 C ATOM 1479 CD LYS A 103 -9.560 -8.128 2.421 1.00 12.24 C ATOM 1480 CE LYS A 103 -8.620 -8.246 3.616 1.00 2.24 C ATOM 1481 NZ LYS A 103 -7.482 -9.173 3.372 1.00 24.45 N ATOM 0 H LYS A 103 -13.597 -6.651 2.844 1.00 14.03 H new ATOM 0 HA LYS A 103 -11.721 -4.728 1.818 1.00 62.30 H new ATOM 0 HB2 LYS A 103 -12.166 -7.691 1.303 1.00 63.30 H new ATOM 0 HB3 LYS A 103 -10.882 -6.765 0.550 1.00 63.30 H new ATOM 0 HG2 LYS A 103 -10.144 -6.121 2.937 1.00 42.01 H new ATOM 0 HG3 LYS A 103 -11.251 -7.354 3.506 1.00 42.01 H new ATOM 0 HD2 LYS A 103 -10.039 -9.089 2.235 1.00 12.24 H new ATOM 0 HD3 LYS A 103 -8.987 -7.880 1.527 1.00 12.24 H new ATOM 0 HE2 LYS A 103 -8.230 -7.259 3.863 1.00 2.24 H new ATOM 0 HE3 LYS A 103 -9.184 -8.592 4.482 1.00 2.24 H new ATOM 0 HZ1 LYS A 103 -6.657 -8.863 3.924 1.00 24.45 H new ATOM 0 HZ2 LYS A 103 -7.750 -10.135 3.661 1.00 24.45 H new ATOM 0 HZ3 LYS A 103 -7.242 -9.170 2.360 1.00 24.45 H new