USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=14 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 179:sc= 0 (180deg=-0.00137) USER MOD Single : A 34 ASN : amide:sc= -0.0744 K(o=-0.074,f=-2.9!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc= -1.01 F(o=-2.8!,f=-1) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 169:sc= -0.479 (180deg=-0.923) USER MOD Single : A 60 THR OG1 : rot 121:sc= 0.769 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0.331 USER MOD Single : A 69 THR OG1 : rot 145:sc= 1.96 USER MOD Single : A 75 GLN : amide:sc= -1.53 K(o=-1.5,f=-5.1!) USER MOD Single : A 76 SER OG : rot -160:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 132:sc= 0.458 USER MOD Single : A 92 ASN : amide:sc= 0.87 K(o=0.87,f=-2.2) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 103 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.554) USER MOD ----------------------------------------------------------------- ATOM 110 N ALA A 10 4.564 -6.293 -14.081 1.00 75.33 N ATOM 111 CA ALA A 10 4.214 -4.999 -14.671 1.00 14.44 C ATOM 112 C ALA A 10 5.197 -4.631 -15.794 1.00 13.33 C ATOM 113 O ALA A 10 6.366 -5.019 -15.742 1.00 23.01 O ATOM 114 CB ALA A 10 4.195 -3.920 -13.591 1.00 41.24 C ATOM 0 HA ALA A 10 3.218 -5.071 -15.108 1.00 14.44 H new ATOM 0 HB1 ALA A 10 3.934 -2.961 -14.039 1.00 41.24 H new ATOM 0 HB2 ALA A 10 3.457 -4.179 -12.831 1.00 41.24 H new ATOM 0 HB3 ALA A 10 5.180 -3.849 -13.130 1.00 41.24 H new ATOM 120 N PRO A 11 4.734 -3.890 -16.828 1.00 60.44 N ATOM 121 CA PRO A 11 5.588 -3.474 -17.957 1.00 45.13 C ATOM 122 C PRO A 11 6.797 -2.660 -17.484 1.00 54.04 C ATOM 123 O PRO A 11 6.642 -1.712 -16.721 1.00 1.21 O ATOM 124 CB PRO A 11 4.651 -2.613 -18.827 1.00 35.11 C ATOM 125 CG PRO A 11 3.515 -2.243 -17.931 1.00 21.41 C ATOM 126 CD PRO A 11 3.353 -3.393 -16.978 1.00 62.43 C ATOM 0 HA PRO A 11 6.007 -4.325 -18.494 1.00 45.13 H new ATOM 0 HB2 PRO A 11 5.164 -1.726 -19.199 1.00 35.11 H new ATOM 0 HB3 PRO A 11 4.301 -3.168 -19.697 1.00 35.11 H new ATOM 0 HG2 PRO A 11 3.725 -1.318 -17.395 1.00 21.41 H new ATOM 0 HG3 PRO A 11 2.603 -2.079 -18.504 1.00 21.41 H new ATOM 0 HD2 PRO A 11 2.933 -3.072 -16.025 1.00 62.43 H new ATOM 0 HD3 PRO A 11 2.689 -4.159 -17.378 1.00 62.43 H new ATOM 134 N ALA A 12 7.988 -3.029 -17.960 1.00 23.21 N ATOM 135 CA ALA A 12 9.257 -2.472 -17.466 1.00 64.30 C ATOM 136 C ALA A 12 9.252 -0.941 -17.357 1.00 32.53 C ATOM 137 O ALA A 12 9.583 -0.394 -16.304 1.00 45.14 O ATOM 138 CB ALA A 12 10.406 -2.924 -18.359 1.00 44.11 C ATOM 0 H ALA A 12 8.104 -3.722 -18.699 1.00 23.21 H new ATOM 0 HA ALA A 12 9.390 -2.855 -16.454 1.00 64.30 H new ATOM 0 HB1 ALA A 12 11.342 -2.507 -17.987 1.00 44.11 H new ATOM 0 HB2 ALA A 12 10.465 -4.012 -18.353 1.00 44.11 H new ATOM 0 HB3 ALA A 12 10.234 -2.576 -19.378 1.00 44.11 H new ATOM 144 N GLU A 13 8.875 -0.260 -18.435 1.00 40.33 N ATOM 145 CA GLU A 13 8.951 1.206 -18.491 1.00 22.14 C ATOM 146 C GLU A 13 8.096 1.844 -17.390 1.00 42.31 C ATOM 147 O GLU A 13 8.563 2.710 -16.643 1.00 64.41 O ATOM 148 CB GLU A 13 8.506 1.724 -19.869 1.00 71.14 C ATOM 149 CG GLU A 13 9.391 1.277 -21.033 1.00 20.52 C ATOM 150 CD GLU A 13 9.349 -0.223 -21.286 1.00 24.32 C ATOM 151 OE1 GLU A 13 8.242 -0.772 -21.440 1.00 14.53 O ATOM 152 OE2 GLU A 13 10.421 -0.858 -21.346 1.00 0.42 O ATOM 0 H GLU A 13 8.513 -0.695 -19.284 1.00 40.33 H new ATOM 0 HA GLU A 13 9.991 1.489 -18.329 1.00 22.14 H new ATOM 0 HB2 GLU A 13 7.486 1.389 -20.056 1.00 71.14 H new ATOM 0 HB3 GLU A 13 8.485 2.813 -19.843 1.00 71.14 H new ATOM 0 HG2 GLU A 13 9.079 1.799 -21.938 1.00 20.52 H new ATOM 0 HG3 GLU A 13 10.420 1.575 -20.832 1.00 20.52 H new ATOM 159 N GLU A 14 6.847 1.403 -17.307 1.00 12.54 N ATOM 160 CA GLU A 14 5.907 1.874 -16.294 1.00 71.23 C ATOM 161 C GLU A 14 6.384 1.472 -14.898 1.00 22.13 C ATOM 162 O GLU A 14 6.441 2.292 -13.977 1.00 71.44 O ATOM 163 CB GLU A 14 4.527 1.266 -16.586 1.00 72.20 C ATOM 164 CG GLU A 14 3.434 1.641 -15.594 1.00 24.22 C ATOM 165 CD GLU A 14 2.106 0.990 -15.944 1.00 32.23 C ATOM 166 OE1 GLU A 14 1.428 1.476 -16.875 1.00 24.31 O ATOM 167 OE2 GLU A 14 1.742 -0.024 -15.312 1.00 51.23 O ATOM 0 H GLU A 14 6.455 0.707 -17.941 1.00 12.54 H new ATOM 0 HA GLU A 14 5.843 2.962 -16.326 1.00 71.23 H new ATOM 0 HB2 GLU A 14 4.214 1.576 -17.583 1.00 72.20 H new ATOM 0 HB3 GLU A 14 4.622 0.180 -16.605 1.00 72.20 H new ATOM 0 HG2 GLU A 14 3.734 1.338 -14.591 1.00 24.22 H new ATOM 0 HG3 GLU A 14 3.314 2.724 -15.577 1.00 24.22 H new ATOM 174 N LEU A 15 6.775 0.210 -14.783 1.00 64.02 N ATOM 175 CA LEU A 15 7.134 -0.395 -13.508 1.00 11.33 C ATOM 176 C LEU A 15 8.361 0.276 -12.906 1.00 50.34 C ATOM 177 O LEU A 15 8.450 0.427 -11.696 1.00 20.53 O ATOM 178 CB LEU A 15 7.367 -1.906 -13.699 1.00 73.12 C ATOM 179 CG LEU A 15 7.638 -2.727 -12.421 1.00 74.11 C ATOM 180 CD1 LEU A 15 9.108 -2.647 -12.005 1.00 50.51 C ATOM 181 CD2 LEU A 15 6.728 -2.261 -11.283 1.00 4.11 C ATOM 0 H LEU A 15 6.852 -0.426 -15.576 1.00 64.02 H new ATOM 0 HA LEU A 15 6.311 -0.251 -12.808 1.00 11.33 H new ATOM 0 HB2 LEU A 15 6.492 -2.326 -14.195 1.00 73.12 H new ATOM 0 HB3 LEU A 15 8.212 -2.038 -14.375 1.00 73.12 H new ATOM 0 HG LEU A 15 7.414 -3.771 -12.641 1.00 74.11 H new ATOM 0 HD11 LEU A 15 9.263 -3.237 -11.101 1.00 50.51 H new ATOM 0 HD12 LEU A 15 9.735 -3.039 -12.806 1.00 50.51 H new ATOM 0 HD13 LEU A 15 9.375 -1.608 -11.811 1.00 50.51 H new ATOM 0 HD21 LEU A 15 6.932 -2.850 -10.389 1.00 4.11 H new ATOM 0 HD22 LEU A 15 6.917 -1.208 -11.074 1.00 4.11 H new ATOM 0 HD23 LEU A 15 5.686 -2.392 -11.574 1.00 4.11 H new ATOM 193 N LEU A 16 9.308 0.668 -13.750 1.00 60.02 N ATOM 194 CA LEU A 16 10.517 1.333 -13.276 1.00 32.43 C ATOM 195 C LEU A 16 10.140 2.531 -12.402 1.00 25.03 C ATOM 196 O LEU A 16 10.536 2.621 -11.234 1.00 43.40 O ATOM 197 CB LEU A 16 11.376 1.788 -14.466 1.00 23.33 C ATOM 198 CG LEU A 16 12.710 2.464 -14.098 1.00 31.34 C ATOM 199 CD1 LEU A 16 13.621 1.502 -13.338 1.00 21.24 C ATOM 200 CD2 LEU A 16 13.406 2.990 -15.349 1.00 75.04 C ATOM 0 H LEU A 16 9.264 0.538 -14.761 1.00 60.02 H new ATOM 0 HA LEU A 16 11.099 0.630 -12.680 1.00 32.43 H new ATOM 0 HB2 LEU A 16 11.588 0.921 -15.092 1.00 23.33 H new ATOM 0 HB3 LEU A 16 10.791 2.482 -15.070 1.00 23.33 H new ATOM 0 HG LEU A 16 12.492 3.308 -13.443 1.00 31.34 H new ATOM 0 HD11 LEU A 16 14.556 2.005 -13.091 1.00 21.24 H new ATOM 0 HD12 LEU A 16 13.127 1.182 -12.420 1.00 21.24 H new ATOM 0 HD13 LEU A 16 13.831 0.632 -13.960 1.00 21.24 H new ATOM 0 HD21 LEU A 16 14.347 3.464 -15.070 1.00 75.04 H new ATOM 0 HD22 LEU A 16 13.605 2.162 -16.030 1.00 75.04 H new ATOM 0 HD23 LEU A 16 12.764 3.720 -15.843 1.00 75.04 H new ATOM 212 N ALA A 17 9.331 3.418 -12.972 1.00 0.30 N ATOM 213 CA ALA A 17 8.890 4.624 -12.280 1.00 2.31 C ATOM 214 C ALA A 17 8.023 4.272 -11.074 1.00 30.14 C ATOM 215 O ALA A 17 8.237 4.790 -9.976 1.00 11.43 O ATOM 216 CB ALA A 17 8.129 5.531 -13.241 1.00 30.12 C ATOM 0 H ALA A 17 8.965 3.323 -13.919 1.00 0.30 H new ATOM 0 HA ALA A 17 9.770 5.156 -11.918 1.00 2.31 H new ATOM 0 HB1 ALA A 17 7.804 6.428 -12.714 1.00 30.12 H new ATOM 0 HB2 ALA A 17 8.780 5.812 -14.069 1.00 30.12 H new ATOM 0 HB3 ALA A 17 7.258 5.002 -13.628 1.00 30.12 H new ATOM 222 N ASP A 18 7.060 3.373 -11.283 1.00 31.34 N ATOM 223 CA ASP A 18 6.105 3.005 -10.233 1.00 3.10 C ATOM 224 C ASP A 18 6.819 2.418 -9.018 1.00 63.10 C ATOM 225 O ASP A 18 6.583 2.839 -7.887 1.00 33.44 O ATOM 226 CB ASP A 18 5.075 1.996 -10.759 1.00 20.32 C ATOM 227 CG ASP A 18 3.994 1.682 -9.728 1.00 53.42 C ATOM 228 OD1 ASP A 18 3.047 2.491 -9.597 1.00 75.34 O ATOM 229 OD2 ASP A 18 4.090 0.630 -9.054 1.00 11.33 O ATOM 0 H ASP A 18 6.920 2.886 -12.168 1.00 31.34 H new ATOM 0 HA ASP A 18 5.589 3.916 -9.930 1.00 3.10 H new ATOM 0 HB2 ASP A 18 4.609 2.392 -11.661 1.00 20.32 H new ATOM 0 HB3 ASP A 18 5.584 1.074 -11.041 1.00 20.32 H new ATOM 234 N VAL A 19 7.721 1.469 -9.262 1.00 42.03 N ATOM 235 CA VAL A 19 8.440 0.800 -8.182 1.00 60.45 C ATOM 236 C VAL A 19 9.448 1.754 -7.550 1.00 13.44 C ATOM 237 O VAL A 19 9.687 1.699 -6.344 1.00 44.21 O ATOM 238 CB VAL A 19 9.164 -0.494 -8.663 1.00 71.22 C ATOM 239 CG1 VAL A 19 10.450 -0.175 -9.426 1.00 10.21 C ATOM 240 CG2 VAL A 19 9.453 -1.424 -7.485 1.00 14.13 C ATOM 0 H VAL A 19 7.970 1.147 -10.197 1.00 42.03 H new ATOM 0 HA VAL A 19 7.699 0.503 -7.440 1.00 60.45 H new ATOM 0 HB VAL A 19 8.492 -1.005 -9.352 1.00 71.22 H new ATOM 0 HG11 VAL A 19 10.924 -1.103 -9.744 1.00 10.21 H new ATOM 0 HG12 VAL A 19 10.213 0.430 -10.301 1.00 10.21 H new ATOM 0 HG13 VAL A 19 11.131 0.377 -8.777 1.00 10.21 H new ATOM 0 HG21 VAL A 19 9.958 -2.320 -7.845 1.00 14.13 H new ATOM 0 HG22 VAL A 19 10.091 -0.912 -6.765 1.00 14.13 H new ATOM 0 HG23 VAL A 19 8.516 -1.704 -7.004 1.00 14.13 H new ATOM 250 N GLU A 20 10.038 2.635 -8.364 1.00 62.20 N ATOM 251 CA GLU A 20 10.972 3.632 -7.851 1.00 71.25 C ATOM 252 C GLU A 20 10.265 4.544 -6.845 1.00 64.24 C ATOM 253 O GLU A 20 10.822 4.889 -5.799 1.00 70.33 O ATOM 254 CB GLU A 20 11.571 4.446 -9.006 1.00 21.24 C ATOM 255 CG GLU A 20 12.682 5.398 -8.585 1.00 53.41 C ATOM 256 CD GLU A 20 13.351 6.069 -9.774 1.00 33.30 C ATOM 257 OE1 GLU A 20 14.440 5.616 -10.189 1.00 65.33 O ATOM 258 OE2 GLU A 20 12.781 7.041 -10.311 1.00 24.24 O ATOM 0 H GLU A 20 9.885 2.675 -9.372 1.00 62.20 H new ATOM 0 HA GLU A 20 11.789 3.124 -7.338 1.00 71.25 H new ATOM 0 HB2 GLU A 20 11.961 3.759 -9.757 1.00 21.24 H new ATOM 0 HB3 GLU A 20 10.776 5.020 -9.482 1.00 21.24 H new ATOM 0 HG2 GLU A 20 12.272 6.161 -7.924 1.00 53.41 H new ATOM 0 HG3 GLU A 20 13.430 4.849 -8.013 1.00 53.41 H new ATOM 265 N GLU A 21 9.024 4.905 -7.160 1.00 20.22 N ATOM 266 CA GLU A 21 8.201 5.708 -6.259 1.00 4.15 C ATOM 267 C GLU A 21 7.752 4.869 -5.066 1.00 43.32 C ATOM 268 O GLU A 21 7.865 5.295 -3.915 1.00 2.53 O ATOM 269 CB GLU A 21 6.975 6.270 -6.996 1.00 52.34 C ATOM 270 CG GLU A 21 7.321 7.202 -8.150 1.00 73.24 C ATOM 271 CD GLU A 21 8.190 8.375 -7.718 1.00 24.23 C ATOM 272 OE1 GLU A 21 7.645 9.356 -7.170 1.00 61.23 O ATOM 273 OE2 GLU A 21 9.420 8.324 -7.931 1.00 4.11 O ATOM 0 H GLU A 21 8.565 4.653 -8.035 1.00 20.22 H new ATOM 0 HA GLU A 21 8.803 6.543 -5.901 1.00 4.15 H new ATOM 0 HB2 GLU A 21 6.381 5.440 -7.378 1.00 52.34 H new ATOM 0 HB3 GLU A 21 6.350 6.807 -6.283 1.00 52.34 H new ATOM 0 HG2 GLU A 21 7.839 6.637 -8.925 1.00 73.24 H new ATOM 0 HG3 GLU A 21 6.401 7.581 -8.594 1.00 73.24 H new ATOM 280 N ALA A 22 7.260 3.666 -5.346 1.00 32.12 N ATOM 281 CA ALA A 22 6.743 2.782 -4.307 1.00 2.15 C ATOM 282 C ALA A 22 7.791 2.538 -3.229 1.00 74.23 C ATOM 283 O ALA A 22 7.549 2.778 -2.052 1.00 70.14 O ATOM 284 CB ALA A 22 6.280 1.461 -4.916 1.00 34.22 C ATOM 0 H ALA A 22 7.209 3.280 -6.289 1.00 32.12 H new ATOM 0 HA ALA A 22 5.887 3.268 -3.840 1.00 2.15 H new ATOM 0 HB1 ALA A 22 5.897 0.812 -4.129 1.00 34.22 H new ATOM 0 HB2 ALA A 22 5.492 1.652 -5.644 1.00 34.22 H new ATOM 0 HB3 ALA A 22 7.120 0.974 -5.411 1.00 34.22 H new ATOM 290 N MET A 23 8.978 2.133 -3.650 1.00 30.13 N ATOM 291 CA MET A 23 10.077 1.841 -2.729 1.00 73.41 C ATOM 292 C MET A 23 10.441 3.064 -1.880 1.00 2.33 C ATOM 293 O MET A 23 11.174 2.951 -0.899 1.00 55.13 O ATOM 294 CB MET A 23 11.310 1.387 -3.512 1.00 62.45 C ATOM 295 CG MET A 23 11.145 0.061 -4.259 1.00 32.30 C ATOM 296 SD MET A 23 11.117 -1.373 -3.164 1.00 54.25 S ATOM 297 CE MET A 23 10.977 -2.705 -4.356 1.00 51.04 C ATOM 0 H MET A 23 9.212 1.996 -4.633 1.00 30.13 H new ATOM 0 HA MET A 23 9.745 1.045 -2.062 1.00 73.41 H new ATOM 0 HB2 MET A 23 11.572 2.163 -4.231 1.00 62.45 H new ATOM 0 HB3 MET A 23 12.148 1.297 -2.821 1.00 62.45 H new ATOM 0 HG2 MET A 23 10.220 0.088 -4.835 1.00 32.30 H new ATOM 0 HG3 MET A 23 11.961 -0.051 -4.973 1.00 32.30 H new ATOM 0 HE1 MET A 23 10.966 -3.661 -3.833 1.00 51.04 H new ATOM 0 HE2 MET A 23 10.053 -2.590 -4.923 1.00 51.04 H new ATOM 0 HE3 MET A 23 11.827 -2.674 -5.038 1.00 51.04 H new ATOM 307 N ARG A 24 9.944 4.230 -2.273 1.00 10.21 N ATOM 308 CA ARG A 24 10.245 5.485 -1.588 1.00 61.42 C ATOM 309 C ARG A 24 9.183 5.815 -0.543 1.00 32.45 C ATOM 310 O ARG A 24 9.478 6.452 0.472 1.00 21.35 O ATOM 311 CB ARG A 24 10.321 6.617 -2.622 1.00 74.43 C ATOM 312 CG ARG A 24 10.478 8.017 -2.028 1.00 32.03 C ATOM 313 CD ARG A 24 10.238 9.095 -3.079 1.00 13.04 C ATOM 314 NE ARG A 24 10.373 10.450 -2.537 1.00 53.54 N ATOM 315 CZ ARG A 24 9.362 11.176 -2.048 1.00 64.52 C ATOM 316 NH1 ARG A 24 8.156 10.636 -1.901 1.00 42.35 N ATOM 317 NH2 ARG A 24 9.571 12.436 -1.678 1.00 52.13 N ATOM 0 H ARG A 24 9.322 4.335 -3.074 1.00 10.21 H new ATOM 0 HA ARG A 24 11.201 5.379 -1.075 1.00 61.42 H new ATOM 0 HB2 ARG A 24 11.161 6.425 -3.290 1.00 74.43 H new ATOM 0 HB3 ARG A 24 9.417 6.595 -3.231 1.00 74.43 H new ATOM 0 HG2 ARG A 24 9.775 8.146 -1.205 1.00 32.03 H new ATOM 0 HG3 ARG A 24 11.480 8.128 -1.612 1.00 32.03 H new ATOM 0 HD2 ARG A 24 10.945 8.963 -3.898 1.00 13.04 H new ATOM 0 HD3 ARG A 24 9.239 8.973 -3.498 1.00 13.04 H new ATOM 0 HE ARG A 24 11.303 10.869 -2.532 1.00 53.54 H new ATOM 0 HH11 ARG A 24 7.998 9.663 -2.162 1.00 42.35 H new ATOM 0 HH12 ARG A 24 7.389 11.195 -1.527 1.00 42.35 H new ATOM 0 HH21 ARG A 24 10.501 12.846 -1.768 1.00 52.13 H new ATOM 0 HH22 ARG A 24 8.802 12.992 -1.305 1.00 52.13 H new ATOM 331 N ASP A 25 7.949 5.370 -0.780 1.00 31.55 N ATOM 332 CA ASP A 25 6.811 5.825 0.015 1.00 54.14 C ATOM 333 C ASP A 25 6.150 4.651 0.709 1.00 64.12 C ATOM 334 O ASP A 25 5.235 4.818 1.507 1.00 32.33 O ATOM 335 CB ASP A 25 5.797 6.567 -0.874 1.00 61.35 C ATOM 336 CG ASP A 25 6.272 7.960 -1.279 1.00 44.11 C ATOM 337 OD1 ASP A 25 7.022 8.083 -2.272 1.00 62.13 O ATOM 338 OD2 ASP A 25 5.894 8.946 -0.605 1.00 2.42 O ATOM 0 H ASP A 25 7.714 4.699 -1.511 1.00 31.55 H new ATOM 0 HA ASP A 25 7.173 6.517 0.775 1.00 54.14 H new ATOM 0 HB2 ASP A 25 5.608 5.978 -1.771 1.00 61.35 H new ATOM 0 HB3 ASP A 25 4.849 6.652 -0.343 1.00 61.35 H new ATOM 343 N VAL A 26 6.630 3.457 0.400 1.00 64.12 N ATOM 344 CA VAL A 26 6.060 2.233 0.943 1.00 42.40 C ATOM 345 C VAL A 26 7.017 1.649 1.993 1.00 64.10 C ATOM 346 O VAL A 26 6.945 0.482 2.377 1.00 45.32 O ATOM 347 CB VAL A 26 5.767 1.243 -0.218 1.00 51.43 C ATOM 348 CG1 VAL A 26 5.205 -0.068 0.281 1.00 70.31 C ATOM 349 CG2 VAL A 26 4.804 1.883 -1.222 1.00 21.04 C ATOM 0 H VAL A 26 7.419 3.309 -0.229 1.00 64.12 H new ATOM 0 HA VAL A 26 5.113 2.435 1.444 1.00 42.40 H new ATOM 0 HB VAL A 26 6.715 1.024 -0.710 1.00 51.43 H new ATOM 0 HG11 VAL A 26 5.016 -0.728 -0.565 1.00 70.31 H new ATOM 0 HG12 VAL A 26 5.921 -0.538 0.955 1.00 70.31 H new ATOM 0 HG13 VAL A 26 4.272 0.115 0.814 1.00 70.31 H new ATOM 0 HG21 VAL A 26 4.604 1.182 -2.032 1.00 21.04 H new ATOM 0 HG22 VAL A 26 3.869 2.134 -0.721 1.00 21.04 H new ATOM 0 HG23 VAL A 26 5.252 2.790 -1.629 1.00 21.04 H new ATOM 359 N VAL A 27 7.890 2.517 2.487 1.00 34.30 N ATOM 360 CA VAL A 27 8.865 2.170 3.509 1.00 11.20 C ATOM 361 C VAL A 27 9.119 3.403 4.374 1.00 30.34 C ATOM 362 O VAL A 27 8.797 4.517 3.958 1.00 15.41 O ATOM 363 CB VAL A 27 10.197 1.689 2.866 1.00 45.31 C ATOM 364 CG1 VAL A 27 10.886 2.828 2.117 1.00 44.53 C ATOM 365 CG2 VAL A 27 11.133 1.072 3.907 1.00 55.54 C ATOM 0 H VAL A 27 7.941 3.490 2.186 1.00 34.30 H new ATOM 0 HA VAL A 27 8.475 1.354 4.118 1.00 11.20 H new ATOM 0 HB VAL A 27 9.950 0.910 2.145 1.00 45.31 H new ATOM 0 HG11 VAL A 27 11.815 2.465 1.677 1.00 44.53 H new ATOM 0 HG12 VAL A 27 10.229 3.194 1.328 1.00 44.53 H new ATOM 0 HG13 VAL A 27 11.106 3.639 2.811 1.00 44.53 H new ATOM 0 HG21 VAL A 27 12.053 0.747 3.422 1.00 55.54 H new ATOM 0 HG22 VAL A 27 11.368 1.814 4.670 1.00 55.54 H new ATOM 0 HG23 VAL A 27 10.646 0.215 4.372 1.00 55.54 H new ATOM 375 N ASP A 28 9.659 3.211 5.573 1.00 2.01 N ATOM 376 CA ASP A 28 10.068 4.328 6.423 1.00 75.13 C ATOM 377 C ASP A 28 11.556 4.599 6.225 1.00 24.15 C ATOM 378 O ASP A 28 12.395 3.898 6.796 1.00 14.40 O ATOM 379 CB ASP A 28 9.786 4.033 7.904 1.00 62.53 C ATOM 380 CG ASP A 28 10.375 5.090 8.835 1.00 24.42 C ATOM 381 OD1 ASP A 28 11.522 4.909 9.302 1.00 1.22 O ATOM 382 OD2 ASP A 28 9.699 6.107 9.100 1.00 42.45 O ATOM 0 H ASP A 28 9.825 2.291 5.981 1.00 2.01 H new ATOM 0 HA ASP A 28 9.490 5.207 6.138 1.00 75.13 H new ATOM 0 HB2 ASP A 28 8.709 3.976 8.061 1.00 62.53 H new ATOM 0 HB3 ASP A 28 10.198 3.057 8.161 1.00 62.53 H new ATOM 387 N PRO A 29 11.908 5.594 5.387 1.00 74.41 N ATOM 388 CA PRO A 29 13.298 5.961 5.139 1.00 1.32 C ATOM 389 C PRO A 29 13.801 6.987 6.156 1.00 14.04 C ATOM 390 O PRO A 29 14.957 7.409 6.111 1.00 61.12 O ATOM 391 CB PRO A 29 13.234 6.550 3.726 1.00 14.20 C ATOM 392 CG PRO A 29 11.883 7.186 3.640 1.00 34.52 C ATOM 393 CD PRO A 29 10.981 6.440 4.604 1.00 20.20 C ATOM 0 HA PRO A 29 13.991 5.125 5.230 1.00 1.32 H new ATOM 0 HB2 PRO A 29 14.027 7.281 3.565 1.00 14.20 H new ATOM 0 HB3 PRO A 29 13.356 5.776 2.968 1.00 14.20 H new ATOM 0 HG2 PRO A 29 11.937 8.243 3.901 1.00 34.52 H new ATOM 0 HG3 PRO A 29 11.493 7.128 2.624 1.00 34.52 H new ATOM 0 HD2 PRO A 29 10.430 7.127 5.246 1.00 20.20 H new ATOM 0 HD3 PRO A 29 10.243 5.838 4.074 1.00 20.20 H new ATOM 401 N GLU A 30 12.917 7.391 7.066 1.00 75.12 N ATOM 402 CA GLU A 30 13.266 8.337 8.118 1.00 60.44 C ATOM 403 C GLU A 30 14.234 7.687 9.103 1.00 5.34 C ATOM 404 O GLU A 30 15.342 8.177 9.323 1.00 74.42 O ATOM 405 CB GLU A 30 12.006 8.821 8.846 1.00 23.33 C ATOM 406 CG GLU A 30 12.277 9.874 9.913 1.00 2.11 C ATOM 407 CD GLU A 30 11.014 10.313 10.634 1.00 30.40 C ATOM 408 OE1 GLU A 30 10.830 9.943 11.814 1.00 70.10 O ATOM 409 OE2 GLU A 30 10.193 11.031 10.021 1.00 23.03 O ATOM 0 H GLU A 30 11.948 7.074 7.094 1.00 75.12 H new ATOM 0 HA GLU A 30 13.752 9.201 7.665 1.00 60.44 H new ATOM 0 HB2 GLU A 30 11.310 9.230 8.114 1.00 23.33 H new ATOM 0 HB3 GLU A 30 11.515 7.966 9.310 1.00 23.33 H new ATOM 0 HG2 GLU A 30 12.986 9.476 10.639 1.00 2.11 H new ATOM 0 HG3 GLU A 30 12.747 10.742 9.451 1.00 2.11 H new ATOM 416 N LEU A 31 13.805 6.572 9.684 1.00 71.03 N ATOM 417 CA LEU A 31 14.629 5.817 10.623 1.00 14.20 C ATOM 418 C LEU A 31 15.085 4.497 10.000 1.00 23.51 C ATOM 419 O LEU A 31 15.989 3.837 10.513 1.00 41.53 O ATOM 420 CB LEU A 31 13.855 5.565 11.923 1.00 64.22 C ATOM 421 CG LEU A 31 13.446 6.830 12.694 1.00 64.42 C ATOM 422 CD1 LEU A 31 12.664 6.473 13.952 1.00 75.50 C ATOM 423 CD2 LEU A 31 14.674 7.662 13.047 1.00 34.11 C ATOM 0 H LEU A 31 12.883 6.168 9.520 1.00 71.03 H new ATOM 0 HA LEU A 31 15.517 6.405 10.857 1.00 14.20 H new ATOM 0 HB2 LEU A 31 12.956 4.995 11.688 1.00 64.22 H new ATOM 0 HB3 LEU A 31 14.466 4.942 12.576 1.00 64.22 H new ATOM 0 HG LEU A 31 12.798 7.424 12.049 1.00 64.42 H new ATOM 0 HD11 LEU A 31 12.387 7.386 14.479 1.00 75.50 H new ATOM 0 HD12 LEU A 31 11.763 5.925 13.677 1.00 75.50 H new ATOM 0 HD13 LEU A 31 13.282 5.853 14.601 1.00 75.50 H new ATOM 0 HD21 LEU A 31 14.365 8.554 13.593 1.00 34.11 H new ATOM 0 HD22 LEU A 31 15.347 7.072 13.668 1.00 34.11 H new ATOM 0 HD23 LEU A 31 15.189 7.957 12.133 1.00 34.11 H new ATOM 435 N GLY A 32 14.447 4.117 8.895 1.00 64.35 N ATOM 436 CA GLY A 32 14.873 2.945 8.144 1.00 32.31 C ATOM 437 C GLY A 32 14.110 1.690 8.522 1.00 14.22 C ATOM 438 O GLY A 32 14.710 0.634 8.744 1.00 71.41 O ATOM 0 H GLY A 32 13.639 4.602 8.504 1.00 64.35 H new ATOM 0 HA2 GLY A 32 14.743 3.136 7.079 1.00 32.31 H new ATOM 0 HA3 GLY A 32 15.938 2.781 8.311 1.00 32.31 H new ATOM 442 N ILE A 33 12.783 1.791 8.585 1.00 44.03 N ATOM 443 CA ILE A 33 11.939 0.631 8.899 1.00 53.33 C ATOM 444 C ILE A 33 11.149 0.219 7.666 1.00 74.25 C ATOM 445 O ILE A 33 10.705 1.060 6.891 1.00 75.04 O ATOM 446 CB ILE A 33 10.938 0.890 10.067 1.00 53.23 C ATOM 447 CG1 ILE A 33 11.672 1.185 11.389 1.00 71.51 C ATOM 448 CG2 ILE A 33 9.987 -0.299 10.249 1.00 11.03 C ATOM 449 CD1 ILE A 33 12.325 2.547 11.447 1.00 64.13 C ATOM 0 H ILE A 33 12.268 2.657 8.424 1.00 44.03 H new ATOM 0 HA ILE A 33 12.617 -0.161 9.218 1.00 53.33 H new ATOM 0 HB ILE A 33 10.354 1.770 9.799 1.00 53.23 H new ATOM 0 HG12 ILE A 33 10.962 1.100 12.212 1.00 71.51 H new ATOM 0 HG13 ILE A 33 12.435 0.422 11.546 1.00 71.51 H new ATOM 0 HG21 ILE A 33 9.300 -0.093 11.069 1.00 11.03 H new ATOM 0 HG22 ILE A 33 9.420 -0.455 9.331 1.00 11.03 H new ATOM 0 HG23 ILE A 33 10.564 -1.195 10.476 1.00 11.03 H new ATOM 0 HD11 ILE A 33 12.819 2.673 12.410 1.00 64.13 H new ATOM 0 HD12 ILE A 33 13.061 2.632 10.648 1.00 64.13 H new ATOM 0 HD13 ILE A 33 11.566 3.320 11.325 1.00 64.13 H new ATOM 461 N ASN A 34 10.971 -1.078 7.497 1.00 44.15 N ATOM 462 CA ASN A 34 10.231 -1.616 6.360 1.00 45.10 C ATOM 463 C ASN A 34 8.965 -2.308 6.843 1.00 35.23 C ATOM 464 O ASN A 34 9.027 -3.346 7.493 1.00 50.40 O ATOM 465 CB ASN A 34 11.114 -2.588 5.566 1.00 25.51 C ATOM 466 CG ASN A 34 10.363 -3.309 4.460 1.00 65.53 C ATOM 467 OD1 ASN A 34 9.355 -2.819 3.948 1.00 35.34 O ATOM 468 ND2 ASN A 34 10.862 -4.475 4.073 1.00 53.43 N ATOM 0 H ASN A 34 11.330 -1.787 8.136 1.00 44.15 H new ATOM 0 HA ASN A 34 9.946 -0.796 5.700 1.00 45.10 H new ATOM 0 HB2 ASN A 34 11.949 -2.038 5.131 1.00 25.51 H new ATOM 0 HB3 ASN A 34 11.538 -3.324 6.249 1.00 25.51 H new ATOM 0 HD21 ASN A 34 10.409 -5.001 3.325 1.00 53.43 H new ATOM 0 HD22 ASN A 34 11.699 -4.846 4.523 1.00 53.43 H new ATOM 475 N VAL A 35 7.814 -1.721 6.524 1.00 32.43 N ATOM 476 CA VAL A 35 6.529 -2.262 6.960 1.00 2.41 C ATOM 477 C VAL A 35 6.367 -3.701 6.461 1.00 20.21 C ATOM 478 O VAL A 35 5.899 -4.583 7.188 1.00 41.12 O ATOM 479 CB VAL A 35 5.346 -1.393 6.456 1.00 5.53 C ATOM 480 CG1 VAL A 35 4.030 -1.844 7.093 1.00 61.05 C ATOM 481 CG2 VAL A 35 5.607 0.090 6.735 1.00 34.24 C ATOM 0 H VAL A 35 7.745 -0.871 5.965 1.00 32.43 H new ATOM 0 HA VAL A 35 6.516 -2.251 8.050 1.00 2.41 H new ATOM 0 HB VAL A 35 5.261 -1.526 5.377 1.00 5.53 H new ATOM 0 HG11 VAL A 35 3.215 -1.221 6.725 1.00 61.05 H new ATOM 0 HG12 VAL A 35 3.837 -2.885 6.832 1.00 61.05 H new ATOM 0 HG13 VAL A 35 4.099 -1.749 8.177 1.00 61.05 H new ATOM 0 HG21 VAL A 35 4.766 0.682 6.374 1.00 34.24 H new ATOM 0 HG22 VAL A 35 5.725 0.243 7.808 1.00 34.24 H new ATOM 0 HG23 VAL A 35 6.517 0.402 6.222 1.00 34.24 H new ATOM 491 N VAL A 36 6.809 -3.933 5.227 1.00 34.43 N ATOM 492 CA VAL A 36 6.733 -5.253 4.605 1.00 73.31 C ATOM 493 C VAL A 36 7.540 -6.275 5.410 1.00 14.34 C ATOM 494 O VAL A 36 7.259 -7.474 5.369 1.00 72.43 O ATOM 495 CB VAL A 36 7.242 -5.212 3.139 1.00 53.05 C ATOM 496 CG1 VAL A 36 7.095 -6.574 2.461 1.00 71.22 C ATOM 497 CG2 VAL A 36 6.505 -4.133 2.348 1.00 23.24 C ATOM 0 H VAL A 36 7.227 -3.217 4.633 1.00 34.43 H new ATOM 0 HA VAL A 36 5.686 -5.556 4.597 1.00 73.31 H new ATOM 0 HB VAL A 36 8.303 -4.965 3.159 1.00 53.05 H new ATOM 0 HG11 VAL A 36 7.460 -6.511 1.436 1.00 71.22 H new ATOM 0 HG12 VAL A 36 7.675 -7.317 3.008 1.00 71.22 H new ATOM 0 HG13 VAL A 36 6.045 -6.866 2.455 1.00 71.22 H new ATOM 0 HG21 VAL A 36 6.874 -4.118 1.322 1.00 23.24 H new ATOM 0 HG22 VAL A 36 5.437 -4.349 2.346 1.00 23.24 H new ATOM 0 HG23 VAL A 36 6.678 -3.161 2.810 1.00 23.24 H new ATOM 507 N ASP A 37 8.530 -5.786 6.158 1.00 4.21 N ATOM 508 CA ASP A 37 9.390 -6.646 6.975 1.00 35.33 C ATOM 509 C ASP A 37 8.585 -7.332 8.078 1.00 32.34 C ATOM 510 O ASP A 37 8.977 -8.388 8.574 1.00 63.44 O ATOM 511 CB ASP A 37 10.544 -5.829 7.574 1.00 41.21 C ATOM 512 CG ASP A 37 11.424 -6.620 8.532 1.00 13.22 C ATOM 513 OD1 ASP A 37 11.291 -6.435 9.763 1.00 22.14 O ATOM 514 OD2 ASP A 37 12.268 -7.412 8.061 1.00 14.02 O ATOM 0 H ASP A 37 8.758 -4.793 6.215 1.00 4.21 H new ATOM 0 HA ASP A 37 9.809 -7.421 6.334 1.00 35.33 H new ATOM 0 HB2 ASP A 37 11.162 -5.442 6.764 1.00 41.21 H new ATOM 0 HB3 ASP A 37 10.132 -4.968 8.100 1.00 41.21 H new ATOM 519 N LEU A 38 7.443 -6.740 8.443 1.00 74.24 N ATOM 520 CA LEU A 38 6.555 -7.339 9.445 1.00 1.24 C ATOM 521 C LEU A 38 5.818 -8.542 8.848 1.00 54.24 C ATOM 522 O LEU A 38 5.123 -9.279 9.552 1.00 74.34 O ATOM 523 CB LEU A 38 5.549 -6.301 9.980 1.00 33.33 C ATOM 524 CG LEU A 38 6.128 -5.226 10.922 1.00 44.14 C ATOM 525 CD1 LEU A 38 6.799 -5.872 12.132 1.00 11.33 C ATOM 526 CD2 LEU A 38 7.102 -4.304 10.187 1.00 15.43 C ATOM 0 H LEU A 38 7.113 -5.853 8.063 1.00 74.24 H new ATOM 0 HA LEU A 38 7.164 -7.681 10.282 1.00 1.24 H new ATOM 0 HB2 LEU A 38 5.086 -5.800 9.130 1.00 33.33 H new ATOM 0 HB3 LEU A 38 4.756 -6.831 10.508 1.00 33.33 H new ATOM 0 HG LEU A 38 5.299 -4.614 11.276 1.00 44.14 H new ATOM 0 HD11 LEU A 38 7.200 -5.095 12.783 1.00 11.33 H new ATOM 0 HD12 LEU A 38 6.067 -6.464 12.681 1.00 11.33 H new ATOM 0 HD13 LEU A 38 7.610 -6.519 11.796 1.00 11.33 H new ATOM 0 HD21 LEU A 38 7.491 -3.559 10.881 1.00 15.43 H new ATOM 0 HD22 LEU A 38 7.927 -4.892 9.786 1.00 15.43 H new ATOM 0 HD23 LEU A 38 6.583 -3.803 9.370 1.00 15.43 H new ATOM 538 N GLY A 39 5.970 -8.704 7.535 1.00 22.21 N ATOM 539 CA GLY A 39 5.423 -9.838 6.810 1.00 35.40 C ATOM 540 C GLY A 39 3.917 -9.980 6.921 1.00 63.42 C ATOM 541 O GLY A 39 3.376 -11.063 6.706 1.00 54.52 O ATOM 0 H GLY A 39 6.480 -8.046 6.945 1.00 22.21 H new ATOM 0 HA2 GLY A 39 5.691 -9.746 5.758 1.00 35.40 H new ATOM 0 HA3 GLY A 39 5.891 -10.751 7.179 1.00 35.40 H new ATOM 545 N LEU A 40 3.226 -8.888 7.236 1.00 1.02 N ATOM 546 CA LEU A 40 1.767 -8.879 7.177 1.00 43.21 C ATOM 547 C LEU A 40 1.315 -8.251 5.860 1.00 12.35 C ATOM 548 O LEU A 40 0.325 -8.670 5.263 1.00 72.20 O ATOM 549 CB LEU A 40 1.182 -8.134 8.394 1.00 2.45 C ATOM 550 CG LEU A 40 -0.364 -8.082 8.461 1.00 73.21 C ATOM 551 CD1 LEU A 40 -0.861 -8.168 9.903 1.00 32.44 C ATOM 552 CD2 LEU A 40 -0.894 -6.809 7.808 1.00 21.01 C ATOM 0 H LEU A 40 3.647 -8.007 7.532 1.00 1.02 H new ATOM 0 HA LEU A 40 1.394 -9.902 7.215 1.00 43.21 H new ATOM 0 HB2 LEU A 40 1.552 -8.610 9.302 1.00 2.45 H new ATOM 0 HB3 LEU A 40 1.563 -7.113 8.391 1.00 2.45 H new ATOM 0 HG LEU A 40 -0.742 -8.945 7.913 1.00 73.21 H new ATOM 0 HD11 LEU A 40 -1.950 -8.129 9.915 1.00 32.44 H new ATOM 0 HD12 LEU A 40 -0.527 -9.105 10.348 1.00 32.44 H new ATOM 0 HD13 LEU A 40 -0.461 -7.331 10.476 1.00 32.44 H new ATOM 0 HD21 LEU A 40 -1.982 -6.795 7.868 1.00 21.01 H new ATOM 0 HD22 LEU A 40 -0.491 -5.939 8.327 1.00 21.01 H new ATOM 0 HD23 LEU A 40 -0.588 -6.782 6.762 1.00 21.01 H new ATOM 564 N VAL A 41 2.110 -7.297 5.375 1.00 55.31 N ATOM 565 CA VAL A 41 1.815 -6.594 4.127 1.00 32.53 C ATOM 566 C VAL A 41 2.001 -7.533 2.935 1.00 11.15 C ATOM 567 O VAL A 41 1.618 -7.224 1.806 1.00 65.23 O ATOM 568 CB VAL A 41 2.718 -5.341 3.967 1.00 31.13 C ATOM 569 CG1 VAL A 41 2.338 -4.528 2.728 1.00 30.41 C ATOM 570 CG2 VAL A 41 2.644 -4.476 5.221 1.00 31.43 C ATOM 0 H VAL A 41 2.969 -6.992 5.832 1.00 55.31 H new ATOM 0 HA VAL A 41 0.777 -6.264 4.161 1.00 32.53 H new ATOM 0 HB VAL A 41 3.745 -5.682 3.832 1.00 31.13 H new ATOM 0 HG11 VAL A 41 2.991 -3.659 2.649 1.00 30.41 H new ATOM 0 HG12 VAL A 41 2.449 -5.148 1.838 1.00 30.41 H new ATOM 0 HG13 VAL A 41 1.303 -4.197 2.813 1.00 30.41 H new ATOM 0 HG21 VAL A 41 3.281 -3.600 5.097 1.00 31.43 H new ATOM 0 HG22 VAL A 41 1.615 -4.156 5.382 1.00 31.43 H new ATOM 0 HG23 VAL A 41 2.983 -5.053 6.081 1.00 31.43 H new ATOM 580 N TYR A 42 2.597 -8.693 3.206 1.00 20.11 N ATOM 581 CA TYR A 42 2.752 -9.741 2.205 1.00 45.11 C ATOM 582 C TYR A 42 1.372 -10.248 1.782 1.00 31.21 C ATOM 583 O TYR A 42 1.204 -10.814 0.699 1.00 52.41 O ATOM 584 CB TYR A 42 3.606 -10.882 2.779 1.00 13.34 C ATOM 585 CG TYR A 42 4.008 -11.941 1.769 1.00 4.30 C ATOM 586 CD1 TYR A 42 5.038 -11.709 0.862 1.00 10.10 C ATOM 587 CD2 TYR A 42 3.366 -13.176 1.728 1.00 72.24 C ATOM 588 CE1 TYR A 42 5.413 -12.674 -0.054 1.00 63.14 C ATOM 589 CE2 TYR A 42 3.736 -14.142 0.813 1.00 72.13 C ATOM 590 CZ TYR A 42 4.759 -13.888 -0.074 1.00 42.24 C ATOM 591 OH TYR A 42 5.134 -14.856 -0.987 1.00 2.15 O ATOM 0 H TYR A 42 2.983 -8.930 4.120 1.00 20.11 H new ATOM 0 HA TYR A 42 3.259 -9.343 1.326 1.00 45.11 H new ATOM 0 HB2 TYR A 42 4.508 -10.457 3.218 1.00 13.34 H new ATOM 0 HB3 TYR A 42 3.053 -11.361 3.587 1.00 13.34 H new ATOM 0 HD1 TYR A 42 5.553 -10.760 0.874 1.00 10.10 H new ATOM 0 HD2 TYR A 42 2.566 -13.382 2.423 1.00 72.24 H new ATOM 0 HE1 TYR A 42 6.215 -12.478 -0.751 1.00 63.14 H new ATOM 0 HE2 TYR A 42 3.225 -15.093 0.793 1.00 72.13 H new ATOM 0 HH TYR A 42 4.575 -15.652 -0.868 1.00 2.15 H new ATOM 601 N GLY A 43 0.383 -10.013 2.647 1.00 71.43 N ATOM 602 CA GLY A 43 -0.987 -10.392 2.360 1.00 62.10 C ATOM 603 C GLY A 43 -1.661 -9.416 1.415 1.00 1.44 C ATOM 604 O GLY A 43 -2.611 -8.723 1.786 1.00 34.14 O ATOM 0 H GLY A 43 0.514 -9.561 3.552 1.00 71.43 H new ATOM 0 HA2 GLY A 43 -1.003 -11.390 1.922 1.00 62.10 H new ATOM 0 HA3 GLY A 43 -1.551 -10.443 3.291 1.00 62.10 H new ATOM 608 N LEU A 44 -1.151 -9.340 0.197 1.00 55.51 N ATOM 609 CA LEU A 44 -1.763 -8.526 -0.840 1.00 45.25 C ATOM 610 C LEU A 44 -2.435 -9.424 -1.877 1.00 24.02 C ATOM 611 O LEU A 44 -1.933 -10.508 -2.197 1.00 3.35 O ATOM 612 CB LEU A 44 -0.729 -7.572 -1.472 1.00 72.12 C ATOM 613 CG LEU A 44 0.643 -8.181 -1.837 1.00 23.44 C ATOM 614 CD1 LEU A 44 0.583 -8.979 -3.135 1.00 5.30 C ATOM 615 CD2 LEU A 44 1.704 -7.088 -1.924 1.00 64.45 C ATOM 0 H LEU A 44 -0.310 -9.835 -0.099 1.00 55.51 H new ATOM 0 HA LEU A 44 -2.535 -7.898 -0.395 1.00 45.25 H new ATOM 0 HB2 LEU A 44 -1.165 -7.148 -2.377 1.00 72.12 H new ATOM 0 HB3 LEU A 44 -0.562 -6.745 -0.781 1.00 72.12 H new ATOM 0 HG LEU A 44 0.917 -8.875 -1.043 1.00 23.44 H new ATOM 0 HD11 LEU A 44 1.568 -9.390 -3.355 1.00 5.30 H new ATOM 0 HD12 LEU A 44 -0.134 -9.793 -3.029 1.00 5.30 H new ATOM 0 HD13 LEU A 44 0.272 -8.325 -3.950 1.00 5.30 H new ATOM 0 HD21 LEU A 44 2.665 -7.533 -2.182 1.00 64.45 H new ATOM 0 HD22 LEU A 44 1.421 -6.366 -2.690 1.00 64.45 H new ATOM 0 HD23 LEU A 44 1.785 -6.582 -0.962 1.00 64.45 H new ATOM 627 N ASP A 45 -3.579 -8.975 -2.366 1.00 74.45 N ATOM 628 CA ASP A 45 -4.406 -9.742 -3.290 1.00 74.20 C ATOM 629 C ASP A 45 -5.242 -8.782 -4.124 1.00 1.42 C ATOM 630 O ASP A 45 -6.030 -8.010 -3.589 1.00 41.40 O ATOM 631 CB ASP A 45 -5.308 -10.705 -2.500 1.00 71.33 C ATOM 632 CG ASP A 45 -6.381 -11.371 -3.350 1.00 65.23 C ATOM 633 OD1 ASP A 45 -6.055 -11.879 -4.442 1.00 51.02 O ATOM 634 OD2 ASP A 45 -7.549 -11.414 -2.908 1.00 3.52 O ATOM 0 H ASP A 45 -3.965 -8.060 -2.132 1.00 74.45 H new ATOM 0 HA ASP A 45 -3.775 -10.331 -3.955 1.00 74.20 H new ATOM 0 HB2 ASP A 45 -4.689 -11.476 -2.042 1.00 71.33 H new ATOM 0 HB3 ASP A 45 -5.787 -10.157 -1.689 1.00 71.33 H new ATOM 639 N VAL A 46 -5.053 -8.804 -5.432 1.00 33.53 N ATOM 640 CA VAL A 46 -5.747 -7.875 -6.314 1.00 65.13 C ATOM 641 C VAL A 46 -6.906 -8.568 -7.021 1.00 22.43 C ATOM 642 O VAL A 46 -6.719 -9.588 -7.686 1.00 55.44 O ATOM 643 CB VAL A 46 -4.789 -7.267 -7.370 1.00 30.34 C ATOM 644 CG1 VAL A 46 -5.512 -6.245 -8.247 1.00 55.32 C ATOM 645 CG2 VAL A 46 -3.564 -6.647 -6.697 1.00 74.23 C ATOM 0 H VAL A 46 -4.426 -9.453 -5.908 1.00 33.53 H new ATOM 0 HA VAL A 46 -6.132 -7.068 -5.691 1.00 65.13 H new ATOM 0 HB VAL A 46 -4.446 -8.074 -8.018 1.00 30.34 H new ATOM 0 HG11 VAL A 46 -4.815 -5.835 -8.978 1.00 55.32 H new ATOM 0 HG12 VAL A 46 -6.338 -6.731 -8.766 1.00 55.32 H new ATOM 0 HG13 VAL A 46 -5.899 -5.439 -7.623 1.00 55.32 H new ATOM 0 HG21 VAL A 46 -2.905 -6.226 -7.457 1.00 74.23 H new ATOM 0 HG22 VAL A 46 -3.883 -5.858 -6.016 1.00 74.23 H new ATOM 0 HG23 VAL A 46 -3.029 -7.414 -6.137 1.00 74.23 H new ATOM 655 N GLN A 47 -8.103 -8.016 -6.867 1.00 11.54 N ATOM 656 CA GLN A 47 -9.277 -8.530 -7.561 1.00 53.45 C ATOM 657 C GLN A 47 -9.528 -7.694 -8.812 1.00 4.23 C ATOM 658 O GLN A 47 -9.711 -6.476 -8.736 1.00 14.44 O ATOM 659 CB GLN A 47 -10.514 -8.526 -6.646 1.00 53.42 C ATOM 660 CG GLN A 47 -10.877 -7.156 -6.078 1.00 30.03 C ATOM 661 CD GLN A 47 -12.215 -7.151 -5.355 1.00 30.34 C ATOM 662 OE1 GLN A 47 -12.349 -6.291 -4.357 1.00 34.42 O flip ATOM 663 NE2 GLN A 47 -13.126 -7.908 -5.694 1.00 53.44 N flip ATOM 0 H GLN A 47 -8.286 -7.212 -6.267 1.00 11.54 H new ATOM 0 HA GLN A 47 -9.090 -9.565 -7.848 1.00 53.45 H new ATOM 0 HB2 GLN A 47 -11.366 -8.910 -7.207 1.00 53.42 H new ATOM 0 HB3 GLN A 47 -10.340 -9.214 -5.819 1.00 53.42 H new ATOM 0 HG2 GLN A 47 -10.096 -6.836 -5.389 1.00 30.03 H new ATOM 0 HG3 GLN A 47 -10.905 -6.428 -6.889 1.00 30.03 H new ATOM 0 HE21 GLN A 47 -12.988 -8.558 -6.468 1.00 53.44 H new ATOM 0 HE22 GLN A 47 -14.019 -7.885 -5.201 1.00 53.44 H new ATOM 672 N ASP A 48 -9.515 -8.349 -9.961 1.00 60.32 N ATOM 673 CA ASP A 48 -9.703 -7.672 -11.238 1.00 0.13 C ATOM 674 C ASP A 48 -11.017 -8.102 -11.877 1.00 4.01 C ATOM 675 O ASP A 48 -11.316 -9.293 -11.966 1.00 64.21 O ATOM 676 CB ASP A 48 -8.528 -7.964 -12.187 1.00 33.13 C ATOM 677 CG ASP A 48 -8.397 -9.437 -12.540 1.00 11.32 C ATOM 678 OD1 ASP A 48 -8.845 -9.835 -13.636 1.00 64.33 O ATOM 679 OD2 ASP A 48 -7.843 -10.202 -11.722 1.00 45.54 O ATOM 0 H ASP A 48 -9.375 -9.356 -10.038 1.00 60.32 H new ATOM 0 HA ASP A 48 -9.737 -6.598 -11.054 1.00 0.13 H new ATOM 0 HB2 ASP A 48 -8.657 -7.387 -13.103 1.00 33.13 H new ATOM 0 HB3 ASP A 48 -7.602 -7.624 -11.724 1.00 33.13 H new ATOM 684 N GLY A 49 -11.807 -7.120 -12.285 1.00 25.21 N ATOM 685 CA GLY A 49 -13.045 -7.390 -12.990 1.00 71.00 C ATOM 686 C GLY A 49 -13.345 -6.309 -14.002 1.00 33.14 C ATOM 687 O GLY A 49 -12.700 -5.256 -13.991 1.00 22.33 O ATOM 0 H GLY A 49 -11.610 -6.130 -12.139 1.00 25.21 H new ATOM 0 HA2 GLY A 49 -12.977 -8.354 -13.494 1.00 71.00 H new ATOM 0 HA3 GLY A 49 -13.865 -7.461 -12.276 1.00 71.00 H new ATOM 691 N ASP A 50 -14.307 -6.564 -14.880 1.00 65.22 N ATOM 692 CA ASP A 50 -14.715 -5.587 -15.892 1.00 45.40 C ATOM 693 C ASP A 50 -15.162 -4.281 -15.233 1.00 61.13 C ATOM 694 O ASP A 50 -14.984 -3.198 -15.791 1.00 22.14 O ATOM 695 CB ASP A 50 -15.845 -6.156 -16.764 1.00 53.13 C ATOM 696 CG ASP A 50 -16.317 -5.177 -17.832 1.00 72.42 C ATOM 697 OD1 ASP A 50 -15.723 -5.149 -18.930 1.00 24.12 O ATOM 698 OD2 ASP A 50 -17.281 -4.424 -17.578 1.00 71.32 O ATOM 0 H ASP A 50 -14.824 -7.443 -14.915 1.00 65.22 H new ATOM 0 HA ASP A 50 -13.855 -5.376 -16.528 1.00 45.40 H new ATOM 0 HB2 ASP A 50 -15.501 -7.072 -17.244 1.00 53.13 H new ATOM 0 HB3 ASP A 50 -16.688 -6.426 -16.128 1.00 53.13 H new ATOM 703 N GLU A 51 -15.731 -4.400 -14.034 1.00 20.10 N ATOM 704 CA GLU A 51 -16.187 -3.240 -13.270 1.00 52.34 C ATOM 705 C GLU A 51 -14.994 -2.404 -12.798 1.00 63.32 C ATOM 706 O GLU A 51 -15.083 -1.179 -12.674 1.00 24.41 O ATOM 707 CB GLU A 51 -17.032 -3.697 -12.070 1.00 21.01 C ATOM 708 CG GLU A 51 -16.283 -4.607 -11.098 1.00 34.52 C ATOM 709 CD GLU A 51 -17.159 -5.108 -9.959 1.00 23.40 C ATOM 710 OE1 GLU A 51 -17.609 -6.273 -10.014 1.00 21.15 O ATOM 711 OE2 GLU A 51 -17.402 -4.337 -9.005 1.00 34.43 O ATOM 0 H GLU A 51 -15.888 -5.294 -13.569 1.00 20.10 H new ATOM 0 HA GLU A 51 -16.805 -2.618 -13.917 1.00 52.34 H new ATOM 0 HB2 GLU A 51 -17.385 -2.818 -11.531 1.00 21.01 H new ATOM 0 HB3 GLU A 51 -17.914 -4.221 -12.438 1.00 21.01 H new ATOM 0 HG2 GLU A 51 -15.882 -5.461 -11.644 1.00 34.52 H new ATOM 0 HG3 GLU A 51 -15.432 -4.066 -10.684 1.00 34.52 H new ATOM 718 N GLY A 52 -13.872 -3.074 -12.550 1.00 54.43 N ATOM 719 CA GLY A 52 -12.672 -2.398 -12.101 1.00 71.22 C ATOM 720 C GLY A 52 -11.657 -3.361 -11.516 1.00 42.24 C ATOM 721 O GLY A 52 -11.986 -4.505 -11.198 1.00 5.43 O ATOM 0 H GLY A 52 -13.775 -4.084 -12.654 1.00 54.43 H new ATOM 0 HA2 GLY A 52 -12.223 -1.864 -12.938 1.00 71.22 H new ATOM 0 HA3 GLY A 52 -12.936 -1.652 -11.352 1.00 71.22 H new ATOM 725 N THR A 53 -10.419 -2.901 -11.396 1.00 23.05 N ATOM 726 CA THR A 53 -9.348 -3.679 -10.787 1.00 51.03 C ATOM 727 C THR A 53 -8.956 -3.051 -9.450 1.00 12.11 C ATOM 728 O THR A 53 -8.374 -1.964 -9.413 1.00 43.34 O ATOM 729 CB THR A 53 -8.117 -3.727 -11.717 1.00 23.52 C ATOM 730 OG1 THR A 53 -8.524 -4.125 -13.033 1.00 74.12 O ATOM 731 CG2 THR A 53 -7.056 -4.691 -11.195 1.00 52.31 C ATOM 0 H THR A 53 -10.129 -1.978 -11.718 1.00 23.05 H new ATOM 0 HA THR A 53 -9.703 -4.697 -10.625 1.00 51.03 H new ATOM 0 HB THR A 53 -7.679 -2.729 -11.747 1.00 23.52 H new ATOM 0 HG1 THR A 53 -7.742 -4.153 -13.623 1.00 74.12 H new ATOM 0 HG21 THR A 53 -6.205 -4.698 -11.876 1.00 52.31 H new ATOM 0 HG22 THR A 53 -6.728 -4.370 -10.206 1.00 52.31 H new ATOM 0 HG23 THR A 53 -7.477 -5.694 -11.130 1.00 52.31 H new ATOM 739 N VAL A 54 -9.300 -3.727 -8.361 1.00 1.21 N ATOM 740 CA VAL A 54 -9.061 -3.211 -7.015 1.00 71.51 C ATOM 741 C VAL A 54 -7.969 -4.018 -6.317 1.00 42.31 C ATOM 742 O VAL A 54 -8.075 -5.240 -6.186 1.00 73.42 O ATOM 743 CB VAL A 54 -10.357 -3.256 -6.164 1.00 54.11 C ATOM 744 CG1 VAL A 54 -10.150 -2.571 -4.814 1.00 45.55 C ATOM 745 CG2 VAL A 54 -11.524 -2.628 -6.927 1.00 13.32 C ATOM 0 H VAL A 54 -9.750 -4.642 -8.383 1.00 1.21 H new ATOM 0 HA VAL A 54 -8.738 -2.174 -7.111 1.00 71.51 H new ATOM 0 HB VAL A 54 -10.602 -4.301 -5.971 1.00 54.11 H new ATOM 0 HG11 VAL A 54 -11.074 -2.617 -4.237 1.00 45.55 H new ATOM 0 HG12 VAL A 54 -9.355 -3.078 -4.267 1.00 45.55 H new ATOM 0 HG13 VAL A 54 -9.873 -1.529 -4.973 1.00 45.55 H new ATOM 0 HG21 VAL A 54 -12.424 -2.669 -6.313 1.00 13.32 H new ATOM 0 HG22 VAL A 54 -11.290 -1.589 -7.159 1.00 13.32 H new ATOM 0 HG23 VAL A 54 -11.691 -3.178 -7.853 1.00 13.32 H new ATOM 755 N ALA A 55 -6.922 -3.330 -5.872 1.00 24.31 N ATOM 756 CA ALA A 55 -5.802 -3.982 -5.190 1.00 52.13 C ATOM 757 C ALA A 55 -6.040 -4.040 -3.677 1.00 4.01 C ATOM 758 O ALA A 55 -6.002 -3.014 -2.998 1.00 44.21 O ATOM 759 CB ALA A 55 -4.502 -3.244 -5.487 1.00 24.30 C ATOM 0 H ALA A 55 -6.823 -2.320 -5.970 1.00 24.31 H new ATOM 0 HA ALA A 55 -5.725 -5.003 -5.564 1.00 52.13 H new ATOM 0 HB1 ALA A 55 -3.677 -3.739 -4.974 1.00 24.30 H new ATOM 0 HB2 ALA A 55 -4.317 -3.250 -6.561 1.00 24.30 H new ATOM 0 HB3 ALA A 55 -4.580 -2.214 -5.138 1.00 24.30 H new ATOM 765 N LEU A 56 -6.283 -5.240 -3.154 1.00 15.23 N ATOM 766 CA LEU A 56 -6.542 -5.421 -1.724 1.00 60.22 C ATOM 767 C LEU A 56 -5.230 -5.699 -0.993 1.00 50.22 C ATOM 768 O LEU A 56 -4.654 -6.777 -1.132 1.00 43.31 O ATOM 769 CB LEU A 56 -7.515 -6.591 -1.496 1.00 4.32 C ATOM 770 CG LEU A 56 -8.689 -6.683 -2.486 1.00 71.24 C ATOM 771 CD1 LEU A 56 -9.518 -7.940 -2.231 1.00 73.24 C ATOM 772 CD2 LEU A 56 -9.564 -5.438 -2.414 1.00 54.04 C ATOM 0 H LEU A 56 -6.306 -6.103 -3.698 1.00 15.23 H new ATOM 0 HA LEU A 56 -6.992 -4.508 -1.334 1.00 60.22 H new ATOM 0 HB2 LEU A 56 -6.951 -7.523 -1.541 1.00 4.32 H new ATOM 0 HB3 LEU A 56 -7.920 -6.512 -0.487 1.00 4.32 H new ATOM 0 HG LEU A 56 -8.274 -6.746 -3.492 1.00 71.24 H new ATOM 0 HD11 LEU A 56 -10.342 -7.983 -2.943 1.00 73.24 H new ATOM 0 HD12 LEU A 56 -8.888 -8.822 -2.351 1.00 73.24 H new ATOM 0 HD13 LEU A 56 -9.916 -7.914 -1.217 1.00 73.24 H new ATOM 0 HD21 LEU A 56 -10.386 -5.529 -3.124 1.00 54.04 H new ATOM 0 HD22 LEU A 56 -9.965 -5.333 -1.406 1.00 54.04 H new ATOM 0 HD23 LEU A 56 -8.968 -4.559 -2.661 1.00 54.04 H new ATOM 784 N ILE A 57 -4.749 -4.725 -0.234 1.00 65.31 N ATOM 785 CA ILE A 57 -3.504 -4.874 0.519 1.00 34.33 C ATOM 786 C ILE A 57 -3.800 -4.934 2.015 1.00 52.13 C ATOM 787 O ILE A 57 -4.341 -3.981 2.582 1.00 72.45 O ATOM 788 CB ILE A 57 -2.524 -3.704 0.238 1.00 61.11 C ATOM 789 CG1 ILE A 57 -2.278 -3.563 -1.275 1.00 41.31 C ATOM 790 CG2 ILE A 57 -1.203 -3.916 0.985 1.00 11.41 C ATOM 791 CD1 ILE A 57 -1.395 -2.389 -1.648 1.00 54.52 C ATOM 0 H ILE A 57 -5.202 -3.818 -0.121 1.00 65.31 H new ATOM 0 HA ILE A 57 -3.034 -5.803 0.196 1.00 34.33 H new ATOM 0 HB ILE A 57 -2.974 -2.780 0.601 1.00 61.11 H new ATOM 0 HG12 ILE A 57 -1.821 -4.481 -1.646 1.00 41.31 H new ATOM 0 HG13 ILE A 57 -3.238 -3.458 -1.781 1.00 41.31 H new ATOM 0 HG21 ILE A 57 -0.529 -3.085 0.775 1.00 11.41 H new ATOM 0 HG22 ILE A 57 -1.395 -3.966 2.057 1.00 11.41 H new ATOM 0 HG23 ILE A 57 -0.744 -4.848 0.655 1.00 11.41 H new ATOM 0 HD11 ILE A 57 -1.269 -2.358 -2.730 1.00 54.52 H new ATOM 0 HD12 ILE A 57 -1.859 -1.463 -1.310 1.00 54.52 H new ATOM 0 HD13 ILE A 57 -0.421 -2.501 -1.173 1.00 54.52 H new ATOM 803 N ASP A 58 -3.467 -6.057 2.646 1.00 54.21 N ATOM 804 CA ASP A 58 -3.693 -6.226 4.080 1.00 72.24 C ATOM 805 C ASP A 58 -2.583 -5.536 4.876 1.00 54.41 C ATOM 806 O ASP A 58 -1.399 -5.828 4.686 1.00 71.41 O ATOM 807 CB ASP A 58 -3.755 -7.717 4.430 1.00 53.34 C ATOM 808 CG ASP A 58 -4.240 -7.961 5.844 1.00 24.53 C ATOM 809 OD1 ASP A 58 -5.428 -7.679 6.113 1.00 33.21 O ATOM 810 OD2 ASP A 58 -3.448 -8.454 6.678 1.00 50.12 O ATOM 0 H ASP A 58 -3.040 -6.863 2.188 1.00 54.21 H new ATOM 0 HA ASP A 58 -4.645 -5.765 4.344 1.00 72.24 H new ATOM 0 HB2 ASP A 58 -4.418 -8.224 3.729 1.00 53.34 H new ATOM 0 HB3 ASP A 58 -2.765 -8.157 4.308 1.00 53.34 H new ATOM 815 N MET A 59 -2.962 -4.596 5.743 1.00 74.41 N ATOM 816 CA MET A 59 -1.996 -3.813 6.517 1.00 71.41 C ATOM 817 C MET A 59 -2.491 -3.577 7.945 1.00 10.12 C ATOM 818 O MET A 59 -3.629 -3.893 8.290 1.00 42.24 O ATOM 819 CB MET A 59 -1.714 -2.461 5.840 1.00 24.42 C ATOM 820 CG MET A 59 -0.982 -2.566 4.507 1.00 13.03 C ATOM 821 SD MET A 59 -0.549 -0.954 3.819 1.00 53.45 S ATOM 822 CE MET A 59 0.509 -0.296 5.108 1.00 13.23 C ATOM 0 H MET A 59 -3.936 -4.357 5.928 1.00 74.41 H new ATOM 0 HA MET A 59 -1.072 -4.389 6.558 1.00 71.41 H new ATOM 0 HB2 MET A 59 -2.660 -1.943 5.682 1.00 24.42 H new ATOM 0 HB3 MET A 59 -1.123 -1.845 6.518 1.00 24.42 H new ATOM 0 HG2 MET A 59 -0.074 -3.154 4.641 1.00 13.03 H new ATOM 0 HG3 MET A 59 -1.608 -3.104 3.795 1.00 13.03 H new ATOM 0 HE1 MET A 59 1.008 0.603 4.746 1.00 13.23 H new ATOM 0 HE2 MET A 59 -0.093 -0.049 5.982 1.00 13.23 H new ATOM 0 HE3 MET A 59 1.256 -1.041 5.381 1.00 13.23 H new ATOM 832 N THR A 60 -1.608 -3.042 8.778 1.00 33.22 N ATOM 833 CA THR A 60 -1.959 -2.639 10.131 1.00 34.23 C ATOM 834 C THR A 60 -0.919 -1.649 10.654 1.00 51.35 C ATOM 835 O THR A 60 0.202 -1.589 10.140 1.00 22.01 O ATOM 836 CB THR A 60 -2.074 -3.853 11.092 1.00 2.23 C ATOM 837 OG1 THR A 60 -2.575 -3.426 12.368 1.00 33.35 O ATOM 838 CG2 THR A 60 -0.727 -4.550 11.279 1.00 72.33 C ATOM 0 H THR A 60 -0.631 -2.876 8.535 1.00 33.22 H new ATOM 0 HA THR A 60 -2.939 -2.164 10.095 1.00 34.23 H new ATOM 0 HB THR A 60 -2.767 -4.565 10.644 1.00 2.23 H new ATOM 0 HG1 THR A 60 -3.412 -3.897 12.565 1.00 33.35 H new ATOM 0 HG21 THR A 60 -0.846 -5.395 11.958 1.00 72.33 H new ATOM 0 HG22 THR A 60 -0.365 -4.907 10.315 1.00 72.33 H new ATOM 0 HG23 THR A 60 -0.008 -3.846 11.698 1.00 72.33 H new ATOM 846 N LEU A 61 -1.296 -0.867 11.658 1.00 42.31 N ATOM 847 CA LEU A 61 -0.410 0.147 12.223 1.00 4.31 C ATOM 848 C LEU A 61 0.226 -0.374 13.509 1.00 62.05 C ATOM 849 O LEU A 61 -0.293 -1.304 14.121 1.00 32.41 O ATOM 850 CB LEU A 61 -1.171 1.458 12.489 1.00 34.32 C ATOM 851 CG LEU A 61 -1.750 2.170 11.246 1.00 42.25 C ATOM 852 CD1 LEU A 61 -0.677 2.368 10.175 1.00 23.03 C ATOM 853 CD2 LEU A 61 -2.957 1.416 10.682 1.00 20.14 C ATOM 0 H LEU A 61 -2.214 -0.915 12.101 1.00 42.31 H new ATOM 0 HA LEU A 61 0.378 0.359 11.500 1.00 4.31 H new ATOM 0 HB2 LEU A 61 -1.990 1.246 13.176 1.00 34.32 H new ATOM 0 HB3 LEU A 61 -0.498 2.148 12.998 1.00 34.32 H new ATOM 0 HG LEU A 61 -2.094 3.155 11.562 1.00 42.25 H new ATOM 0 HD11 LEU A 61 -1.113 2.871 9.312 1.00 23.03 H new ATOM 0 HD12 LEU A 61 0.133 2.976 10.579 1.00 23.03 H new ATOM 0 HD13 LEU A 61 -0.285 1.398 9.869 1.00 23.03 H new ATOM 0 HD21 LEU A 61 -3.340 1.944 9.809 1.00 20.14 H new ATOM 0 HD22 LEU A 61 -2.655 0.409 10.394 1.00 20.14 H new ATOM 0 HD23 LEU A 61 -3.737 1.358 11.441 1.00 20.14 H new ATOM 865 N THR A 62 1.330 0.252 13.916 1.00 23.12 N ATOM 866 CA THR A 62 2.127 -0.197 15.061 1.00 21.14 C ATOM 867 C THR A 62 1.259 -0.541 16.279 1.00 65.35 C ATOM 868 O THR A 62 1.321 -1.655 16.803 1.00 55.01 O ATOM 869 CB THR A 62 3.162 0.883 15.447 1.00 51.43 C ATOM 870 OG1 THR A 62 3.844 1.326 14.265 1.00 31.21 O ATOM 871 CG2 THR A 62 4.181 0.350 16.457 1.00 31.45 C ATOM 0 H THR A 62 1.699 1.087 13.461 1.00 23.12 H new ATOM 0 HA THR A 62 2.640 -1.109 14.755 1.00 21.14 H new ATOM 0 HB THR A 62 2.632 1.714 15.913 1.00 51.43 H new ATOM 0 HG1 THR A 62 4.501 2.013 14.504 1.00 31.21 H new ATOM 0 HG21 THR A 62 4.893 1.137 16.705 1.00 31.45 H new ATOM 0 HG22 THR A 62 3.664 0.030 17.362 1.00 31.45 H new ATOM 0 HG23 THR A 62 4.713 -0.497 16.024 1.00 31.45 H new ATOM 879 N SER A 63 0.449 0.417 16.722 1.00 63.44 N ATOM 880 CA SER A 63 -0.427 0.217 17.880 1.00 54.52 C ATOM 881 C SER A 63 -1.873 -0.020 17.429 1.00 20.52 C ATOM 882 O SER A 63 -2.786 -0.110 18.251 1.00 61.45 O ATOM 883 CB SER A 63 -0.344 1.441 18.797 1.00 3.51 C ATOM 884 OG SER A 63 1.008 1.801 19.027 1.00 52.12 O ATOM 0 H SER A 63 0.379 1.342 16.298 1.00 63.44 H new ATOM 0 HA SER A 63 -0.098 -0.665 18.429 1.00 54.52 H new ATOM 0 HB2 SER A 63 -0.877 2.278 18.345 1.00 3.51 H new ATOM 0 HB3 SER A 63 -0.835 1.225 19.746 1.00 3.51 H new ATOM 0 HG SER A 63 1.042 2.586 19.613 1.00 52.12 H new ATOM 890 N ALA A 64 -2.062 -0.099 16.108 1.00 13.41 N ATOM 891 CA ALA A 64 -3.382 -0.282 15.488 1.00 71.43 C ATOM 892 C ALA A 64 -4.359 0.849 15.846 1.00 12.51 C ATOM 893 O ALA A 64 -5.544 0.783 15.514 1.00 13.20 O ATOM 894 CB ALA A 64 -3.968 -1.640 15.869 1.00 64.23 C ATOM 0 H ALA A 64 -1.300 -0.038 15.433 1.00 13.41 H new ATOM 0 HA ALA A 64 -3.237 -0.248 14.408 1.00 71.43 H new ATOM 0 HB1 ALA A 64 -4.945 -1.759 15.401 1.00 64.23 H new ATOM 0 HB2 ALA A 64 -3.303 -2.432 15.526 1.00 64.23 H new ATOM 0 HB3 ALA A 64 -4.075 -1.699 16.952 1.00 64.23 H new ATOM 900 N ALA A 65 -3.849 1.891 16.502 1.00 24.00 N ATOM 901 CA ALA A 65 -4.642 3.072 16.845 1.00 73.22 C ATOM 902 C ALA A 65 -4.030 4.316 16.208 1.00 72.34 C ATOM 903 O ALA A 65 -4.509 5.434 16.402 1.00 43.41 O ATOM 904 CB ALA A 65 -4.722 3.230 18.361 1.00 1.25 C ATOM 0 H ALA A 65 -2.878 1.941 16.810 1.00 24.00 H new ATOM 0 HA ALA A 65 -5.653 2.945 16.458 1.00 73.22 H new ATOM 0 HB1 ALA A 65 -5.314 4.112 18.604 1.00 1.25 H new ATOM 0 HB2 ALA A 65 -5.191 2.347 18.795 1.00 1.25 H new ATOM 0 HB3 ALA A 65 -3.717 3.344 18.768 1.00 1.25 H new ATOM 910 N CYS A 66 -2.964 4.100 15.447 1.00 74.43 N ATOM 911 CA CYS A 66 -2.196 5.182 14.851 1.00 24.14 C ATOM 912 C CYS A 66 -2.874 5.674 13.567 1.00 22.02 C ATOM 913 O CYS A 66 -3.052 4.897 12.627 1.00 50.12 O ATOM 914 CB CYS A 66 -0.778 4.685 14.553 1.00 15.21 C ATOM 915 SG CYS A 66 -0.024 3.771 15.923 1.00 61.35 S ATOM 0 H CYS A 66 -2.609 3.169 15.227 1.00 74.43 H new ATOM 0 HA CYS A 66 -2.146 6.019 15.548 1.00 24.14 H new ATOM 0 HB2 CYS A 66 -0.805 4.044 13.672 1.00 15.21 H new ATOM 0 HB3 CYS A 66 -0.147 5.539 14.307 1.00 15.21 H new ATOM 0 HG CYS A 66 1.171 3.387 15.583 1.00 61.35 H new ATOM 921 N PRO A 67 -3.244 6.970 13.504 1.00 43.33 N ATOM 922 CA PRO A 67 -3.971 7.541 12.355 1.00 74.42 C ATOM 923 C PRO A 67 -3.074 7.784 11.132 1.00 4.15 C ATOM 924 O PRO A 67 -3.300 8.714 10.360 1.00 15.51 O ATOM 925 CB PRO A 67 -4.499 8.866 12.915 1.00 41.53 C ATOM 926 CG PRO A 67 -3.493 9.267 13.941 1.00 20.21 C ATOM 927 CD PRO A 67 -2.991 7.983 14.552 1.00 31.44 C ATOM 0 HA PRO A 67 -4.746 6.869 11.986 1.00 74.42 H new ATOM 0 HB2 PRO A 67 -4.589 9.619 12.132 1.00 41.53 H new ATOM 0 HB3 PRO A 67 -5.488 8.744 13.356 1.00 41.53 H new ATOM 0 HG2 PRO A 67 -2.676 9.829 13.488 1.00 20.21 H new ATOM 0 HG3 PRO A 67 -3.942 9.910 14.698 1.00 20.21 H new ATOM 0 HD2 PRO A 67 -1.931 8.046 14.800 1.00 31.44 H new ATOM 0 HD3 PRO A 67 -3.521 7.745 15.474 1.00 31.44 H new ATOM 935 N LEU A 68 -2.077 6.925 10.941 1.00 41.12 N ATOM 936 CA LEU A 68 -1.171 7.028 9.794 1.00 11.21 C ATOM 937 C LEU A 68 -1.821 6.444 8.541 1.00 35.40 C ATOM 938 O LEU A 68 -1.204 6.389 7.472 1.00 73.33 O ATOM 939 CB LEU A 68 0.161 6.310 10.081 1.00 42.41 C ATOM 940 CG LEU A 68 1.136 7.052 11.017 1.00 23.12 C ATOM 941 CD1 LEU A 68 0.528 7.274 12.400 1.00 41.41 C ATOM 942 CD2 LEU A 68 2.457 6.291 11.128 1.00 55.22 C ATOM 0 H LEU A 68 -1.873 6.146 11.567 1.00 41.12 H new ATOM 0 HA LEU A 68 -0.965 8.085 9.623 1.00 11.21 H new ATOM 0 HB2 LEU A 68 -0.060 5.335 10.516 1.00 42.41 H new ATOM 0 HB3 LEU A 68 0.666 6.128 9.132 1.00 42.41 H new ATOM 0 HG LEU A 68 1.331 8.032 10.581 1.00 23.12 H new ATOM 0 HD11 LEU A 68 1.244 7.800 13.032 1.00 41.41 H new ATOM 0 HD12 LEU A 68 -0.380 7.870 12.307 1.00 41.41 H new ATOM 0 HD13 LEU A 68 0.285 6.311 12.850 1.00 41.41 H new ATOM 0 HD21 LEU A 68 3.132 6.830 11.793 1.00 55.22 H new ATOM 0 HD22 LEU A 68 2.270 5.295 11.530 1.00 55.22 H new ATOM 0 HD23 LEU A 68 2.911 6.205 10.141 1.00 55.22 H new ATOM 954 N THR A 69 -3.074 6.017 8.678 1.00 43.20 N ATOM 955 CA THR A 69 -3.806 5.421 7.574 1.00 5.15 C ATOM 956 C THR A 69 -3.872 6.382 6.384 1.00 50.21 C ATOM 957 O THR A 69 -3.624 5.983 5.250 1.00 42.20 O ATOM 958 CB THR A 69 -5.230 4.981 7.998 1.00 52.42 C ATOM 959 OG1 THR A 69 -5.832 4.224 6.946 1.00 54.14 O ATOM 960 CG2 THR A 69 -6.121 6.172 8.347 1.00 33.34 C ATOM 0 H THR A 69 -3.602 6.075 9.549 1.00 43.20 H new ATOM 0 HA THR A 69 -3.263 4.526 7.270 1.00 5.15 H new ATOM 0 HB THR A 69 -5.132 4.369 8.894 1.00 52.42 H new ATOM 0 HG1 THR A 69 -6.400 3.524 7.330 1.00 54.14 H new ATOM 0 HG21 THR A 69 -7.109 5.815 8.638 1.00 33.34 H new ATOM 0 HG22 THR A 69 -5.678 6.728 9.173 1.00 33.34 H new ATOM 0 HG23 THR A 69 -6.213 6.825 7.479 1.00 33.34 H new ATOM 968 N ASP A 70 -4.159 7.655 6.655 1.00 64.31 N ATOM 969 CA ASP A 70 -4.219 8.675 5.604 1.00 1.04 C ATOM 970 C ASP A 70 -2.920 8.690 4.803 1.00 53.43 C ATOM 971 O ASP A 70 -2.928 8.791 3.573 1.00 71.23 O ATOM 972 CB ASP A 70 -4.452 10.065 6.213 1.00 75.42 C ATOM 973 CG ASP A 70 -5.753 10.174 6.990 1.00 54.21 C ATOM 974 OD1 ASP A 70 -6.691 10.841 6.503 1.00 73.11 O ATOM 975 OD2 ASP A 70 -5.832 9.612 8.103 1.00 25.45 O ATOM 0 H ASP A 70 -4.354 8.006 7.593 1.00 64.31 H new ATOM 0 HA ASP A 70 -5.050 8.429 4.943 1.00 1.04 H new ATOM 0 HB2 ASP A 70 -3.621 10.307 6.875 1.00 75.42 H new ATOM 0 HB3 ASP A 70 -4.451 10.808 5.415 1.00 75.42 H new ATOM 980 N VAL A 71 -1.806 8.566 5.521 1.00 40.14 N ATOM 981 CA VAL A 71 -0.483 8.622 4.914 1.00 63.33 C ATOM 982 C VAL A 71 -0.243 7.399 4.030 1.00 2.51 C ATOM 983 O VAL A 71 0.085 7.535 2.851 1.00 11.41 O ATOM 984 CB VAL A 71 0.629 8.707 5.992 1.00 71.53 C ATOM 985 CG1 VAL A 71 2.008 8.849 5.350 1.00 44.41 C ATOM 986 CG2 VAL A 71 0.361 9.860 6.961 1.00 63.40 C ATOM 0 H VAL A 71 -1.797 8.425 6.531 1.00 40.14 H new ATOM 0 HA VAL A 71 -0.444 9.523 4.301 1.00 63.33 H new ATOM 0 HB VAL A 71 0.617 7.776 6.559 1.00 71.53 H new ATOM 0 HG11 VAL A 71 2.768 8.906 6.129 1.00 44.41 H new ATOM 0 HG12 VAL A 71 2.204 7.985 4.715 1.00 44.41 H new ATOM 0 HG13 VAL A 71 2.037 9.757 4.747 1.00 44.41 H new ATOM 0 HG21 VAL A 71 1.154 9.900 7.708 1.00 63.40 H new ATOM 0 HG22 VAL A 71 0.335 10.800 6.410 1.00 63.40 H new ATOM 0 HG23 VAL A 71 -0.597 9.703 7.457 1.00 63.40 H new ATOM 996 N ILE A 72 -0.447 6.205 4.592 1.00 34.35 N ATOM 997 CA ILE A 72 -0.191 4.966 3.853 1.00 75.10 C ATOM 998 C ILE A 72 -1.119 4.842 2.639 1.00 12.11 C ATOM 999 O ILE A 72 -0.695 4.412 1.557 1.00 72.22 O ATOM 1000 CB ILE A 72 -0.319 3.714 4.745 1.00 40.22 C ATOM 1001 CG1 ILE A 72 -1.738 3.569 5.303 1.00 53.21 C ATOM 1002 CG2 ILE A 72 0.705 3.767 5.880 1.00 70.21 C ATOM 1003 CD1 ILE A 72 -1.911 2.340 6.157 1.00 3.14 C ATOM 0 H ILE A 72 -0.785 6.070 5.545 1.00 34.35 H new ATOM 0 HA ILE A 72 0.841 5.022 3.505 1.00 75.10 H new ATOM 0 HB ILE A 72 -0.116 2.838 4.129 1.00 40.22 H new ATOM 0 HG12 ILE A 72 -1.983 4.452 5.893 1.00 53.21 H new ATOM 0 HG13 ILE A 72 -2.446 3.532 4.475 1.00 53.21 H new ATOM 0 HG21 ILE A 72 0.605 2.878 6.502 1.00 70.21 H new ATOM 0 HG22 ILE A 72 1.711 3.805 5.461 1.00 70.21 H new ATOM 0 HG23 ILE A 72 0.531 4.656 6.486 1.00 70.21 H new ATOM 0 HD11 ILE A 72 -2.937 2.293 6.523 1.00 3.14 H new ATOM 0 HD12 ILE A 72 -1.696 1.451 5.564 1.00 3.14 H new ATOM 0 HD13 ILE A 72 -1.226 2.386 7.003 1.00 3.14 H new ATOM 1015 N GLU A 73 -2.380 5.239 2.825 1.00 62.35 N ATOM 1016 CA GLU A 73 -3.367 5.213 1.752 1.00 70.41 C ATOM 1017 C GLU A 73 -2.955 6.157 0.632 1.00 20.13 C ATOM 1018 O GLU A 73 -2.926 5.766 -0.534 1.00 1.34 O ATOM 1019 CB GLU A 73 -4.762 5.584 2.283 1.00 61.43 C ATOM 1020 CG GLU A 73 -5.350 4.553 3.241 1.00 50.41 C ATOM 1021 CD GLU A 73 -6.763 4.901 3.686 1.00 4.12 C ATOM 1022 OE1 GLU A 73 -7.727 4.462 3.024 1.00 74.05 O ATOM 1023 OE2 GLU A 73 -6.913 5.623 4.697 1.00 42.12 O ATOM 0 H GLU A 73 -2.739 5.584 3.715 1.00 62.35 H new ATOM 0 HA GLU A 73 -3.414 4.199 1.354 1.00 70.41 H new ATOM 0 HB2 GLU A 73 -4.703 6.546 2.791 1.00 61.43 H new ATOM 0 HB3 GLU A 73 -5.440 5.710 1.439 1.00 61.43 H new ATOM 0 HG2 GLU A 73 -5.356 3.576 2.757 1.00 50.41 H new ATOM 0 HG3 GLU A 73 -4.708 4.470 4.118 1.00 50.41 H new ATOM 1030 N ASP A 74 -2.621 7.395 0.993 1.00 12.04 N ATOM 1031 CA ASP A 74 -2.177 8.390 0.015 1.00 55.23 C ATOM 1032 C ASP A 74 -0.981 7.869 -0.779 1.00 1.53 C ATOM 1033 O ASP A 74 -0.983 7.892 -2.010 1.00 12.42 O ATOM 1034 CB ASP A 74 -1.811 9.709 0.714 1.00 43.13 C ATOM 1035 CG ASP A 74 -1.230 10.745 -0.240 1.00 70.43 C ATOM 1036 OD1 ASP A 74 -0.006 10.983 -0.201 1.00 31.40 O ATOM 1037 OD2 ASP A 74 -1.997 11.330 -1.036 1.00 3.22 O ATOM 0 H ASP A 74 -2.649 7.734 1.955 1.00 12.04 H new ATOM 0 HA ASP A 74 -3.000 8.576 -0.676 1.00 55.23 H new ATOM 0 HB2 ASP A 74 -2.701 10.120 1.191 1.00 43.13 H new ATOM 0 HB3 ASP A 74 -1.090 9.507 1.506 1.00 43.13 H new ATOM 1042 N GLN A 75 0.018 7.368 -0.057 1.00 30.25 N ATOM 1043 CA GLN A 75 1.245 6.846 -0.661 1.00 44.23 C ATOM 1044 C GLN A 75 0.950 5.754 -1.693 1.00 51.40 C ATOM 1045 O GLN A 75 1.294 5.888 -2.870 1.00 44.45 O ATOM 1046 CB GLN A 75 2.173 6.300 0.436 1.00 2.42 C ATOM 1047 CG GLN A 75 2.778 7.384 1.329 1.00 14.41 C ATOM 1048 CD GLN A 75 3.396 6.822 2.600 1.00 1.10 C ATOM 1049 OE1 GLN A 75 2.914 5.836 3.156 1.00 11.00 O ATOM 1050 NE2 GLN A 75 4.475 7.436 3.062 1.00 11.11 N ATOM 0 H GLN A 75 0.002 7.312 0.961 1.00 30.25 H new ATOM 0 HA GLN A 75 1.738 7.667 -1.183 1.00 44.23 H new ATOM 0 HB2 GLN A 75 1.613 5.601 1.058 1.00 2.42 H new ATOM 0 HB3 GLN A 75 2.980 5.735 -0.031 1.00 2.42 H new ATOM 0 HG2 GLN A 75 3.540 7.927 0.769 1.00 14.41 H new ATOM 0 HG3 GLN A 75 2.004 8.104 1.594 1.00 14.41 H new ATOM 0 HE21 GLN A 75 4.846 8.251 2.574 1.00 11.11 H new ATOM 0 HE22 GLN A 75 4.935 7.094 3.906 1.00 11.11 H new ATOM 1059 N SER A 76 0.293 4.686 -1.249 1.00 31.13 N ATOM 1060 CA SER A 76 0.021 3.537 -2.109 1.00 14.23 C ATOM 1061 C SER A 76 -0.928 3.918 -3.253 1.00 34.23 C ATOM 1062 O SER A 76 -0.624 3.706 -4.430 1.00 25.11 O ATOM 1063 CB SER A 76 -0.565 2.392 -1.273 1.00 51.33 C ATOM 1064 OG SER A 76 -0.805 1.238 -2.061 1.00 22.11 O ATOM 0 H SER A 76 -0.062 4.592 -0.297 1.00 31.13 H new ATOM 0 HA SER A 76 0.958 3.205 -2.556 1.00 14.23 H new ATOM 0 HB2 SER A 76 0.122 2.144 -0.464 1.00 51.33 H new ATOM 0 HB3 SER A 76 -1.497 2.718 -0.812 1.00 51.33 H new ATOM 0 HG SER A 76 -1.449 0.658 -1.604 1.00 22.11 H new ATOM 1070 N ARG A 77 -2.062 4.514 -2.890 1.00 63.31 N ATOM 1071 CA ARG A 77 -3.117 4.850 -3.847 1.00 35.31 C ATOM 1072 C ARG A 77 -2.573 5.739 -4.960 1.00 54.34 C ATOM 1073 O ARG A 77 -2.763 5.459 -6.146 1.00 2.51 O ATOM 1074 CB ARG A 77 -4.266 5.559 -3.114 1.00 22.11 C ATOM 1075 CG ARG A 77 -5.583 5.616 -3.878 1.00 35.13 C ATOM 1076 CD ARG A 77 -6.658 6.342 -3.070 1.00 52.54 C ATOM 1077 NE ARG A 77 -7.998 6.095 -3.598 1.00 43.05 N ATOM 1078 CZ ARG A 77 -9.075 6.820 -3.306 1.00 31.32 C ATOM 1079 NH1 ARG A 77 -8.975 7.908 -2.549 1.00 64.41 N ATOM 1080 NH2 ARG A 77 -10.254 6.458 -3.786 1.00 53.52 N ATOM 0 H ARG A 77 -2.276 4.777 -1.928 1.00 63.31 H new ATOM 0 HA ARG A 77 -3.489 3.931 -4.299 1.00 35.31 H new ATOM 0 HB2 ARG A 77 -4.437 5.053 -2.164 1.00 22.11 H new ATOM 0 HB3 ARG A 77 -3.954 6.577 -2.882 1.00 22.11 H new ATOM 0 HG2 ARG A 77 -5.433 6.126 -4.830 1.00 35.13 H new ATOM 0 HG3 ARG A 77 -5.918 4.604 -4.108 1.00 35.13 H new ATOM 0 HD2 ARG A 77 -6.612 6.017 -2.031 1.00 52.54 H new ATOM 0 HD3 ARG A 77 -6.457 7.413 -3.078 1.00 52.54 H new ATOM 0 HE ARG A 77 -8.117 5.309 -4.237 1.00 43.05 H new ATOM 0 HH11 ARG A 77 -8.066 8.195 -2.186 1.00 64.41 H new ATOM 0 HH12 ARG A 77 -9.807 8.456 -2.332 1.00 64.41 H new ATOM 0 HH21 ARG A 77 -10.332 5.629 -4.375 1.00 53.52 H new ATOM 0 HH22 ARG A 77 -11.085 7.008 -3.567 1.00 53.52 H new ATOM 1094 N SER A 78 -1.871 6.796 -4.562 1.00 34.14 N ATOM 1095 CA SER A 78 -1.370 7.798 -5.496 1.00 41.42 C ATOM 1096 C SER A 78 -0.545 7.156 -6.611 1.00 20.42 C ATOM 1097 O SER A 78 -0.752 7.449 -7.792 1.00 64.24 O ATOM 1098 CB SER A 78 -0.529 8.837 -4.743 1.00 20.11 C ATOM 1099 OG SER A 78 -0.112 9.889 -5.595 1.00 4.21 O ATOM 0 H SER A 78 -1.634 6.981 -3.587 1.00 34.14 H new ATOM 0 HA SER A 78 -2.225 8.292 -5.957 1.00 41.42 H new ATOM 0 HB2 SER A 78 -1.110 9.246 -3.917 1.00 20.11 H new ATOM 0 HB3 SER A 78 0.345 8.352 -4.308 1.00 20.11 H new ATOM 0 HG SER A 78 0.420 10.533 -5.083 1.00 4.21 H new ATOM 1105 N ALA A 79 0.388 6.281 -6.242 1.00 71.32 N ATOM 1106 CA ALA A 79 1.273 5.668 -7.228 1.00 31.04 C ATOM 1107 C ALA A 79 0.541 4.607 -8.051 1.00 50.20 C ATOM 1108 O ALA A 79 0.487 4.697 -9.279 1.00 12.10 O ATOM 1109 CB ALA A 79 2.491 5.070 -6.538 1.00 1.42 C ATOM 0 H ALA A 79 0.549 5.984 -5.280 1.00 71.32 H new ATOM 0 HA ALA A 79 1.605 6.445 -7.916 1.00 31.04 H new ATOM 0 HB1 ALA A 79 3.144 4.615 -7.283 1.00 1.42 H new ATOM 0 HB2 ALA A 79 3.033 5.855 -6.011 1.00 1.42 H new ATOM 0 HB3 ALA A 79 2.169 4.310 -5.826 1.00 1.42 H new ATOM 1115 N LEU A 80 -0.114 3.668 -7.365 1.00 12.13 N ATOM 1116 CA LEU A 80 -0.713 2.510 -8.037 1.00 41.02 C ATOM 1117 C LEU A 80 -1.775 2.945 -9.042 1.00 70.22 C ATOM 1118 O LEU A 80 -1.920 2.346 -10.115 1.00 43.11 O ATOM 1119 CB LEU A 80 -1.305 1.533 -7.009 1.00 12.33 C ATOM 1120 CG LEU A 80 -0.285 0.902 -6.043 1.00 3.21 C ATOM 1121 CD1 LEU A 80 -0.968 -0.080 -5.097 1.00 3.12 C ATOM 1122 CD2 LEU A 80 0.839 0.215 -6.819 1.00 20.53 C ATOM 0 H LEU A 80 -0.243 3.685 -6.353 1.00 12.13 H new ATOM 0 HA LEU A 80 0.076 1.996 -8.586 1.00 41.02 H new ATOM 0 HB2 LEU A 80 -2.059 2.059 -6.423 1.00 12.33 H new ATOM 0 HB3 LEU A 80 -1.818 0.734 -7.544 1.00 12.33 H new ATOM 0 HG LEU A 80 0.153 1.700 -5.443 1.00 3.21 H new ATOM 0 HD11 LEU A 80 -0.227 -0.513 -4.425 1.00 3.12 H new ATOM 0 HD12 LEU A 80 -1.725 0.444 -4.514 1.00 3.12 H new ATOM 0 HD13 LEU A 80 -1.440 -0.874 -5.676 1.00 3.12 H new ATOM 0 HD21 LEU A 80 1.549 -0.224 -6.118 1.00 20.53 H new ATOM 0 HD22 LEU A 80 0.419 -0.569 -7.450 1.00 20.53 H new ATOM 0 HD23 LEU A 80 1.351 0.948 -7.443 1.00 20.53 H new ATOM 1134 N VAL A 81 -2.509 3.993 -8.697 1.00 50.13 N ATOM 1135 CA VAL A 81 -3.490 4.576 -9.602 1.00 53.21 C ATOM 1136 C VAL A 81 -2.793 5.493 -10.611 1.00 12.52 C ATOM 1137 O VAL A 81 -3.252 5.656 -11.746 1.00 24.23 O ATOM 1138 CB VAL A 81 -4.584 5.360 -8.827 1.00 60.41 C ATOM 1139 CG1 VAL A 81 -5.630 5.938 -9.782 1.00 43.31 C ATOM 1140 CG2 VAL A 81 -5.249 4.465 -7.778 1.00 34.22 C ATOM 0 H VAL A 81 -2.443 4.459 -7.792 1.00 50.13 H new ATOM 0 HA VAL A 81 -3.981 3.762 -10.136 1.00 53.21 H new ATOM 0 HB VAL A 81 -4.100 6.192 -8.315 1.00 60.41 H new ATOM 0 HG11 VAL A 81 -6.383 6.481 -9.211 1.00 43.31 H new ATOM 0 HG12 VAL A 81 -5.146 6.618 -10.484 1.00 43.31 H new ATOM 0 HG13 VAL A 81 -6.107 5.127 -10.333 1.00 43.31 H new ATOM 0 HG21 VAL A 81 -6.012 5.033 -7.246 1.00 34.22 H new ATOM 0 HG22 VAL A 81 -5.711 3.609 -8.270 1.00 34.22 H new ATOM 0 HG23 VAL A 81 -4.498 4.115 -7.070 1.00 34.22 H new ATOM 1150 N GLY A 82 -1.653 6.058 -10.204 1.00 61.13 N ATOM 1151 CA GLY A 82 -0.977 7.057 -11.015 1.00 4.44 C ATOM 1152 C GLY A 82 -0.333 6.455 -12.246 1.00 63.32 C ATOM 1153 O GLY A 82 -0.478 6.978 -13.353 1.00 23.01 O ATOM 0 H GLY A 82 -1.187 5.839 -9.324 1.00 61.13 H new ATOM 0 HA2 GLY A 82 -1.693 7.821 -11.318 1.00 4.44 H new ATOM 0 HA3 GLY A 82 -0.215 7.554 -10.415 1.00 4.44 H new ATOM 1157 N SER A 83 0.389 5.358 -12.055 1.00 65.01 N ATOM 1158 CA SER A 83 1.003 4.642 -13.163 1.00 31.45 C ATOM 1159 C SER A 83 -0.054 3.837 -13.920 1.00 60.00 C ATOM 1160 O SER A 83 0.107 3.528 -15.100 1.00 33.12 O ATOM 1161 CB SER A 83 2.113 3.730 -12.635 1.00 10.23 C ATOM 1162 OG SER A 83 3.015 4.458 -11.816 1.00 44.23 O ATOM 0 H SER A 83 0.563 4.945 -11.139 1.00 65.01 H new ATOM 0 HA SER A 83 1.444 5.358 -13.857 1.00 31.45 H new ATOM 0 HB2 SER A 83 1.676 2.911 -12.064 1.00 10.23 H new ATOM 0 HB3 SER A 83 2.652 3.284 -13.471 1.00 10.23 H new ATOM 0 HG SER A 83 3.173 3.964 -10.985 1.00 44.23 H new ATOM 1168 N GLY A 84 -1.153 3.526 -13.234 1.00 72.24 N ATOM 1169 CA GLY A 84 -2.271 2.852 -13.872 1.00 74.40 C ATOM 1170 C GLY A 84 -2.221 1.343 -13.734 1.00 73.11 C ATOM 1171 O GLY A 84 -2.662 0.619 -14.631 1.00 30.32 O ATOM 0 H GLY A 84 -1.288 3.730 -12.244 1.00 72.24 H new ATOM 0 HA2 GLY A 84 -3.202 3.219 -13.439 1.00 74.40 H new ATOM 0 HA3 GLY A 84 -2.287 3.113 -14.930 1.00 74.40 H new ATOM 1175 N LEU A 85 -1.696 0.863 -12.609 1.00 62.51 N ATOM 1176 CA LEU A 85 -1.656 -0.574 -12.336 1.00 74.31 C ATOM 1177 C LEU A 85 -3.062 -1.091 -12.055 1.00 23.53 C ATOM 1178 O LEU A 85 -3.468 -2.130 -12.574 1.00 72.40 O ATOM 1179 CB LEU A 85 -0.726 -0.898 -11.150 1.00 51.24 C ATOM 1180 CG LEU A 85 0.782 -0.907 -11.464 1.00 11.00 C ATOM 1181 CD1 LEU A 85 1.262 0.473 -11.895 1.00 41.02 C ATOM 1182 CD2 LEU A 85 1.578 -1.406 -10.262 1.00 50.24 C ATOM 0 H LEU A 85 -1.294 1.444 -11.874 1.00 62.51 H new ATOM 0 HA LEU A 85 -1.257 -1.072 -13.219 1.00 74.31 H new ATOM 0 HB2 LEU A 85 -0.909 -0.170 -10.360 1.00 51.24 H new ATOM 0 HB3 LEU A 85 -1.001 -1.875 -10.753 1.00 51.24 H new ATOM 0 HG LEU A 85 0.949 -1.592 -12.295 1.00 11.00 H new ATOM 0 HD11 LEU A 85 2.330 0.436 -12.110 1.00 41.02 H new ATOM 0 HD12 LEU A 85 0.722 0.783 -12.790 1.00 41.02 H new ATOM 0 HD13 LEU A 85 1.078 1.189 -11.094 1.00 41.02 H new ATOM 0 HD21 LEU A 85 2.641 -1.405 -10.504 1.00 50.24 H new ATOM 0 HD22 LEU A 85 1.399 -0.751 -9.410 1.00 50.24 H new ATOM 0 HD23 LEU A 85 1.264 -2.419 -10.013 1.00 50.24 H new ATOM 1194 N VAL A 86 -3.808 -0.345 -11.247 1.00 5.13 N ATOM 1195 CA VAL A 86 -5.167 -0.724 -10.870 1.00 3.43 C ATOM 1196 C VAL A 86 -6.096 0.484 -10.948 1.00 11.10 C ATOM 1197 O VAL A 86 -5.631 1.620 -11.065 1.00 0.13 O ATOM 1198 CB VAL A 86 -5.214 -1.312 -9.435 1.00 14.33 C ATOM 1199 CG1 VAL A 86 -4.445 -2.630 -9.358 1.00 23.13 C ATOM 1200 CG2 VAL A 86 -4.665 -0.307 -8.420 1.00 71.51 C ATOM 0 H VAL A 86 -3.491 0.534 -10.837 1.00 5.13 H new ATOM 0 HA VAL A 86 -5.499 -1.490 -11.571 1.00 3.43 H new ATOM 0 HB VAL A 86 -6.256 -1.514 -9.188 1.00 14.33 H new ATOM 0 HG11 VAL A 86 -4.494 -3.021 -8.342 1.00 23.13 H new ATOM 0 HG12 VAL A 86 -4.888 -3.351 -10.045 1.00 23.13 H new ATOM 0 HG13 VAL A 86 -3.404 -2.460 -9.632 1.00 23.13 H new ATOM 0 HG21 VAL A 86 -4.707 -0.740 -7.420 1.00 71.51 H new ATOM 0 HG22 VAL A 86 -3.631 -0.067 -8.668 1.00 71.51 H new ATOM 0 HG23 VAL A 86 -5.265 0.602 -8.447 1.00 71.51 H new ATOM 1210 N ASP A 87 -7.403 0.230 -10.896 1.00 53.44 N ATOM 1211 CA ASP A 87 -8.403 1.301 -10.869 1.00 62.20 C ATOM 1212 C ASP A 87 -8.339 2.025 -9.532 1.00 64.33 C ATOM 1213 O ASP A 87 -8.425 3.251 -9.469 1.00 34.21 O ATOM 1214 CB ASP A 87 -9.819 0.739 -11.085 1.00 22.01 C ATOM 1215 CG ASP A 87 -10.070 0.273 -12.512 1.00 62.31 C ATOM 1216 OD1 ASP A 87 -9.444 -0.722 -12.939 1.00 63.21 O ATOM 1217 OD2 ASP A 87 -10.921 0.878 -13.201 1.00 42.23 O ATOM 0 H ASP A 87 -7.797 -0.711 -10.872 1.00 53.44 H new ATOM 0 HA ASP A 87 -8.183 1.998 -11.678 1.00 62.20 H new ATOM 0 HB2 ASP A 87 -9.979 -0.097 -10.404 1.00 22.01 H new ATOM 0 HB3 ASP A 87 -10.550 1.505 -10.826 1.00 22.01 H new ATOM 1222 N ASP A 88 -8.189 1.240 -8.469 1.00 33.50 N ATOM 1223 CA ASP A 88 -8.052 1.773 -7.117 1.00 31.32 C ATOM 1224 C ASP A 88 -7.581 0.658 -6.184 1.00 5.02 C ATOM 1225 O ASP A 88 -7.446 -0.505 -6.601 1.00 44.42 O ATOM 1226 CB ASP A 88 -9.388 2.373 -6.625 1.00 44.32 C ATOM 1227 CG ASP A 88 -9.206 3.546 -5.661 1.00 53.24 C ATOM 1228 OD1 ASP A 88 -8.170 3.613 -4.971 1.00 40.34 O ATOM 1229 OD2 ASP A 88 -10.107 4.410 -5.592 1.00 73.53 O ATOM 0 H ASP A 88 -8.159 0.222 -8.520 1.00 33.50 H new ATOM 0 HA ASP A 88 -7.314 2.575 -7.120 1.00 31.32 H new ATOM 0 HB2 ASP A 88 -9.968 2.706 -7.486 1.00 44.32 H new ATOM 0 HB3 ASP A 88 -9.969 1.593 -6.132 1.00 44.32 H new ATOM 1234 N ILE A 89 -7.326 0.998 -4.930 1.00 31.13 N ATOM 1235 CA ILE A 89 -6.822 0.038 -3.964 1.00 13.13 C ATOM 1236 C ILE A 89 -7.777 -0.105 -2.784 1.00 25.11 C ATOM 1237 O ILE A 89 -8.816 0.553 -2.711 1.00 75.53 O ATOM 1238 CB ILE A 89 -5.424 0.445 -3.425 1.00 54.52 C ATOM 1239 CG1 ILE A 89 -5.514 1.741 -2.594 1.00 11.24 C ATOM 1240 CG2 ILE A 89 -4.427 0.608 -4.575 1.00 31.14 C ATOM 1241 CD1 ILE A 89 -4.232 2.095 -1.868 1.00 15.13 C ATOM 0 H ILE A 89 -7.461 1.938 -4.557 1.00 31.13 H new ATOM 0 HA ILE A 89 -6.738 -0.914 -4.487 1.00 13.13 H new ATOM 0 HB ILE A 89 -5.066 -0.352 -2.773 1.00 54.52 H new ATOM 0 HG12 ILE A 89 -5.786 2.565 -3.253 1.00 11.24 H new ATOM 0 HG13 ILE A 89 -6.317 1.638 -1.864 1.00 11.24 H new ATOM 0 HG21 ILE A 89 -3.454 0.893 -4.175 1.00 31.14 H new ATOM 0 HG22 ILE A 89 -4.336 -0.335 -5.114 1.00 31.14 H new ATOM 0 HG23 ILE A 89 -4.781 1.382 -5.256 1.00 31.14 H new ATOM 0 HD11 ILE A 89 -4.375 3.018 -1.306 1.00 15.13 H new ATOM 0 HD12 ILE A 89 -3.968 1.290 -1.182 1.00 15.13 H new ATOM 0 HD13 ILE A 89 -3.429 2.232 -2.593 1.00 15.13 H new ATOM 1253 N ARG A 90 -7.402 -0.981 -1.872 1.00 20.22 N ATOM 1254 CA ARG A 90 -8.113 -1.195 -0.628 1.00 51.32 C ATOM 1255 C ARG A 90 -7.108 -1.651 0.418 1.00 1.23 C ATOM 1256 O ARG A 90 -6.613 -2.776 0.366 1.00 1.43 O ATOM 1257 CB ARG A 90 -9.236 -2.235 -0.830 1.00 33.02 C ATOM 1258 CG ARG A 90 -9.582 -3.077 0.401 1.00 24.42 C ATOM 1259 CD ARG A 90 -10.043 -2.252 1.596 1.00 45.15 C ATOM 1260 NE ARG A 90 -10.444 -3.109 2.718 1.00 30.35 N ATOM 1261 CZ ARG A 90 -10.805 -2.663 3.926 1.00 63.23 C ATOM 1262 NH1 ARG A 90 -10.766 -1.365 4.204 1.00 54.14 N ATOM 1263 NH2 ARG A 90 -11.181 -3.524 4.864 1.00 1.23 N ATOM 0 H ARG A 90 -6.579 -1.575 -1.978 1.00 20.22 H new ATOM 0 HA ARG A 90 -8.587 -0.273 -0.291 1.00 51.32 H new ATOM 0 HB2 ARG A 90 -10.136 -1.714 -1.157 1.00 33.02 H new ATOM 0 HB3 ARG A 90 -8.945 -2.906 -1.638 1.00 33.02 H new ATOM 0 HG2 ARG A 90 -10.366 -3.787 0.136 1.00 24.42 H new ATOM 0 HG3 ARG A 90 -8.707 -3.660 0.689 1.00 24.42 H new ATOM 0 HD2 ARG A 90 -9.239 -1.588 1.913 1.00 45.15 H new ATOM 0 HD3 ARG A 90 -10.881 -1.620 1.302 1.00 45.15 H new ATOM 0 HE ARG A 90 -10.448 -4.118 2.565 1.00 30.35 H new ATOM 0 HH11 ARG A 90 -10.459 -0.700 3.494 1.00 54.14 H new ATOM 0 HH12 ARG A 90 -11.043 -1.033 5.128 1.00 54.14 H new ATOM 0 HH21 ARG A 90 -11.194 -4.524 4.663 1.00 1.23 H new ATOM 0 HH22 ARG A 90 -11.457 -3.186 5.786 1.00 1.23 H new ATOM 1277 N ILE A 91 -6.780 -0.761 1.338 1.00 4.41 N ATOM 1278 CA ILE A 91 -5.901 -1.095 2.443 1.00 20.45 C ATOM 1279 C ILE A 91 -6.738 -1.548 3.623 1.00 74.02 C ATOM 1280 O ILE A 91 -7.580 -0.799 4.119 1.00 44.34 O ATOM 1281 CB ILE A 91 -5.004 0.102 2.853 1.00 54.24 C ATOM 1282 CG1 ILE A 91 -4.049 0.467 1.702 1.00 22.30 C ATOM 1283 CG2 ILE A 91 -4.222 -0.219 4.129 1.00 11.05 C ATOM 1284 CD1 ILE A 91 -3.092 1.597 2.025 1.00 53.13 C ATOM 0 H ILE A 91 -7.112 0.204 1.341 1.00 4.41 H new ATOM 0 HA ILE A 91 -5.239 -1.899 2.122 1.00 20.45 H new ATOM 0 HB ILE A 91 -5.642 0.961 3.059 1.00 54.24 H new ATOM 0 HG12 ILE A 91 -3.472 -0.417 1.429 1.00 22.30 H new ATOM 0 HG13 ILE A 91 -4.639 0.744 0.829 1.00 22.30 H new ATOM 0 HG21 ILE A 91 -3.599 0.634 4.399 1.00 11.05 H new ATOM 0 HG22 ILE A 91 -4.919 -0.430 4.940 1.00 11.05 H new ATOM 0 HG23 ILE A 91 -3.590 -1.090 3.959 1.00 11.05 H new ATOM 0 HD11 ILE A 91 -2.455 1.792 1.162 1.00 53.13 H new ATOM 0 HD12 ILE A 91 -3.659 2.496 2.268 1.00 53.13 H new ATOM 0 HD13 ILE A 91 -2.473 1.317 2.878 1.00 53.13 H new ATOM 1296 N ASN A 92 -6.540 -2.788 4.029 1.00 11.22 N ATOM 1297 CA ASN A 92 -7.242 -3.334 5.180 1.00 54.20 C ATOM 1298 C ASN A 92 -6.449 -3.046 6.439 1.00 51.32 C ATOM 1299 O ASN A 92 -5.220 -3.037 6.412 1.00 52.53 O ATOM 1300 CB ASN A 92 -7.461 -4.848 5.044 1.00 72.25 C ATOM 1301 CG ASN A 92 -8.352 -5.388 6.151 1.00 32.03 C ATOM 1302 OD1 ASN A 92 -9.254 -4.692 6.626 1.00 32.05 O ATOM 1303 ND2 ASN A 92 -8.095 -6.610 6.588 1.00 71.40 N ATOM 0 H ASN A 92 -5.897 -3.440 3.579 1.00 11.22 H new ATOM 0 HA ASN A 92 -8.221 -2.857 5.236 1.00 54.20 H new ATOM 0 HB2 ASN A 92 -7.912 -5.065 4.076 1.00 72.25 H new ATOM 0 HB3 ASN A 92 -6.498 -5.359 5.070 1.00 72.25 H new ATOM 0 HD21 ASN A 92 -8.652 -7.009 7.344 1.00 71.40 H new ATOM 0 HD22 ASN A 92 -7.340 -7.153 6.169 1.00 71.40 H new ATOM 1310 N TRP A 93 -7.153 -2.770 7.524 1.00 42.22 N ATOM 1311 CA TRP A 93 -6.521 -2.515 8.810 1.00 13.24 C ATOM 1312 C TRP A 93 -6.841 -3.670 9.752 1.00 43.40 C ATOM 1313 O TRP A 93 -7.986 -3.828 10.182 1.00 64.13 O ATOM 1314 CB TRP A 93 -7.022 -1.184 9.386 1.00 71.14 C ATOM 1315 CG TRP A 93 -6.932 -0.049 8.405 1.00 2.53 C ATOM 1316 CD1 TRP A 93 -5.810 0.650 8.054 1.00 42.21 C ATOM 1317 CD2 TRP A 93 -8.009 0.513 7.641 1.00 74.05 C ATOM 1318 NE1 TRP A 93 -6.127 1.609 7.124 1.00 0.53 N ATOM 1319 CE2 TRP A 93 -7.469 1.546 6.855 1.00 73.21 C ATOM 1320 CE3 TRP A 93 -9.377 0.242 7.545 1.00 62.35 C ATOM 1321 CZ2 TRP A 93 -8.246 2.309 5.986 1.00 63.34 C ATOM 1322 CZ3 TRP A 93 -10.149 1.001 6.684 1.00 23.42 C ATOM 1323 CH2 TRP A 93 -9.582 2.022 5.914 1.00 73.32 C ATOM 0 H TRP A 93 -8.171 -2.716 7.540 1.00 42.22 H new ATOM 0 HA TRP A 93 -5.440 -2.442 8.688 1.00 13.24 H new ATOM 0 HB2 TRP A 93 -8.058 -1.300 9.706 1.00 71.14 H new ATOM 0 HB3 TRP A 93 -6.440 -0.937 10.274 1.00 71.14 H new ATOM 0 HD1 TRP A 93 -4.821 0.474 8.450 1.00 42.21 H new ATOM 0 HE1 TRP A 93 -5.469 2.264 6.701 1.00 0.53 H new ATOM 0 HE3 TRP A 93 -9.823 -0.546 8.133 1.00 62.35 H new ATOM 0 HZ2 TRP A 93 -7.810 3.098 5.391 1.00 63.34 H new ATOM 0 HZ3 TRP A 93 -11.208 0.802 6.605 1.00 23.42 H new ATOM 0 HH2 TRP A 93 -10.211 2.595 5.249 1.00 73.32 H new ATOM 1334 N VAL A 94 -5.838 -4.484 10.065 1.00 40.21 N ATOM 1335 CA VAL A 94 -6.064 -5.690 10.852 1.00 25.51 C ATOM 1336 C VAL A 94 -6.041 -5.373 12.343 1.00 35.44 C ATOM 1337 O VAL A 94 -5.066 -4.825 12.863 1.00 1.34 O ATOM 1338 CB VAL A 94 -4.994 -6.772 10.551 1.00 64.41 C ATOM 1339 CG1 VAL A 94 -5.323 -8.091 11.257 1.00 11.05 C ATOM 1340 CG2 VAL A 94 -4.847 -6.980 9.049 1.00 2.52 C ATOM 0 H VAL A 94 -4.868 -4.332 9.788 1.00 40.21 H new ATOM 0 HA VAL A 94 -7.045 -6.075 10.574 1.00 25.51 H new ATOM 0 HB VAL A 94 -4.040 -6.418 10.942 1.00 64.41 H new ATOM 0 HG11 VAL A 94 -4.555 -8.829 11.026 1.00 11.05 H new ATOM 0 HG12 VAL A 94 -5.358 -7.928 12.334 1.00 11.05 H new ATOM 0 HG13 VAL A 94 -6.291 -8.456 10.914 1.00 11.05 H new ATOM 0 HG21 VAL A 94 -4.092 -7.743 8.860 1.00 2.52 H new ATOM 0 HG22 VAL A 94 -5.801 -7.302 8.631 1.00 2.52 H new ATOM 0 HG23 VAL A 94 -4.543 -6.044 8.580 1.00 2.52 H new ATOM 1350 N TRP A 95 -7.131 -5.724 13.015 1.00 54.50 N ATOM 1351 CA TRP A 95 -7.248 -5.582 14.462 1.00 1.22 C ATOM 1352 C TRP A 95 -7.514 -6.946 15.095 1.00 34.53 C ATOM 1353 O TRP A 95 -7.264 -7.152 16.279 1.00 71.23 O ATOM 1354 CB TRP A 95 -8.407 -4.636 14.809 1.00 51.13 C ATOM 1355 CG TRP A 95 -8.437 -3.379 13.987 1.00 74.45 C ATOM 1356 CD1 TRP A 95 -7.507 -2.383 13.979 1.00 72.14 C ATOM 1357 CD2 TRP A 95 -9.457 -2.983 13.060 1.00 31.01 C ATOM 1358 NE1 TRP A 95 -7.884 -1.390 13.105 1.00 50.20 N ATOM 1359 CE2 TRP A 95 -9.078 -1.737 12.528 1.00 65.35 C ATOM 1360 CE3 TRP A 95 -10.653 -3.564 12.628 1.00 60.45 C ATOM 1361 CZ2 TRP A 95 -9.852 -1.061 11.588 1.00 65.12 C ATOM 1362 CZ3 TRP A 95 -11.420 -2.893 11.694 1.00 25.33 C ATOM 1363 CH2 TRP A 95 -11.017 -1.653 11.183 1.00 4.32 C ATOM 0 H TRP A 95 -7.961 -6.116 12.571 1.00 54.50 H new ATOM 0 HA TRP A 95 -6.316 -5.170 14.848 1.00 1.22 H new ATOM 0 HB2 TRP A 95 -9.349 -5.168 14.675 1.00 51.13 H new ATOM 0 HB3 TRP A 95 -8.340 -4.367 15.863 1.00 51.13 H new ATOM 0 HD1 TRP A 95 -6.605 -2.375 14.573 1.00 72.14 H new ATOM 0 HE1 TRP A 95 -7.361 -0.535 12.917 1.00 50.20 H new ATOM 0 HE3 TRP A 95 -10.972 -4.520 13.017 1.00 60.45 H new ATOM 0 HZ2 TRP A 95 -9.544 -0.104 11.193 1.00 65.12 H new ATOM 0 HZ3 TRP A 95 -12.346 -3.332 11.353 1.00 25.33 H new ATOM 0 HH2 TRP A 95 -11.639 -1.154 10.454 1.00 4.32 H new ATOM 1374 N ASN A 96 -8.015 -7.872 14.275 1.00 55.13 N ATOM 1375 CA ASN A 96 -8.515 -9.163 14.757 1.00 2.04 C ATOM 1376 C ASN A 96 -9.073 -10.017 13.603 1.00 12.10 C ATOM 1377 O ASN A 96 -8.750 -11.202 13.512 1.00 43.41 O ATOM 1378 CB ASN A 96 -9.608 -8.964 15.830 1.00 43.41 C ATOM 1379 CG ASN A 96 -10.201 -10.272 16.340 1.00 21.33 C ATOM 1380 OD1 ASN A 96 -9.516 -11.291 16.439 1.00 1.02 O ATOM 1381 ND2 ASN A 96 -11.484 -10.250 16.670 1.00 52.04 N ATOM 0 H ASN A 96 -8.086 -7.751 13.265 1.00 55.13 H new ATOM 0 HA ASN A 96 -7.671 -9.690 15.201 1.00 2.04 H new ATOM 0 HB2 ASN A 96 -9.186 -8.413 16.670 1.00 43.41 H new ATOM 0 HB3 ASN A 96 -10.407 -8.349 15.415 1.00 43.41 H new ATOM 0 HD21 ASN A 96 -11.935 -11.095 17.019 1.00 52.04 H new ATOM 0 HD22 ASN A 96 -12.020 -9.388 16.575 1.00 52.04 H new ATOM 1388 N PRO A 97 -9.931 -9.436 12.715 1.00 52.32 N ATOM 1389 CA PRO A 97 -10.555 -10.179 11.604 1.00 32.34 C ATOM 1390 C PRO A 97 -9.575 -11.090 10.851 1.00 44.21 C ATOM 1391 O PRO A 97 -8.484 -10.662 10.473 1.00 41.10 O ATOM 1392 CB PRO A 97 -11.062 -9.066 10.683 1.00 51.00 C ATOM 1393 CG PRO A 97 -11.388 -7.946 11.606 1.00 1.41 C ATOM 1394 CD PRO A 97 -10.381 -8.021 12.727 1.00 55.41 C ATOM 0 HA PRO A 97 -11.330 -10.856 11.964 1.00 32.34 H new ATOM 0 HB2 PRO A 97 -10.304 -8.775 9.956 1.00 51.00 H new ATOM 0 HB3 PRO A 97 -11.939 -9.385 10.119 1.00 51.00 H new ATOM 0 HG2 PRO A 97 -11.328 -6.987 11.092 1.00 1.41 H new ATOM 0 HG3 PRO A 97 -12.404 -8.039 11.988 1.00 1.41 H new ATOM 0 HD2 PRO A 97 -9.549 -7.337 12.562 1.00 55.41 H new ATOM 0 HD3 PRO A 97 -10.829 -7.753 13.684 1.00 55.41 H new ATOM 1402 N PRO A 98 -9.965 -12.360 10.617 1.00 3.22 N ATOM 1403 CA PRO A 98 -9.131 -13.347 9.922 1.00 12.42 C ATOM 1404 C PRO A 98 -9.220 -13.207 8.397 1.00 61.23 C ATOM 1405 O PRO A 98 -9.278 -14.210 7.673 1.00 44.41 O ATOM 1406 CB PRO A 98 -9.719 -14.705 10.387 1.00 60.30 C ATOM 1407 CG PRO A 98 -10.863 -14.375 11.305 1.00 63.42 C ATOM 1408 CD PRO A 98 -11.247 -12.953 11.016 1.00 71.51 C ATOM 0 HA PRO A 98 -8.073 -13.230 10.154 1.00 12.42 H new ATOM 0 HB2 PRO A 98 -10.061 -15.293 9.535 1.00 60.30 H new ATOM 0 HB3 PRO A 98 -8.965 -15.299 10.903 1.00 60.30 H new ATOM 0 HG2 PRO A 98 -11.704 -15.046 11.133 1.00 63.42 H new ATOM 0 HG3 PRO A 98 -10.569 -14.493 12.348 1.00 63.42 H new ATOM 0 HD2 PRO A 98 -11.991 -12.886 10.222 1.00 71.51 H new ATOM 0 HD3 PRO A 98 -11.669 -12.459 11.891 1.00 71.51 H new ATOM 1416 N TRP A 99 -9.206 -11.959 7.918 1.00 14.05 N ATOM 1417 CA TRP A 99 -9.293 -11.660 6.487 1.00 71.55 C ATOM 1418 C TRP A 99 -10.638 -12.129 5.913 1.00 64.22 C ATOM 1419 O TRP A 99 -11.631 -12.222 6.642 1.00 65.34 O ATOM 1420 CB TRP A 99 -8.117 -12.303 5.729 1.00 22.34 C ATOM 1421 CG TRP A 99 -6.769 -11.925 6.271 1.00 64.11 C ATOM 1422 CD1 TRP A 99 -6.348 -10.676 6.627 1.00 71.31 C ATOM 1423 CD2 TRP A 99 -5.659 -12.802 6.506 1.00 33.43 C ATOM 1424 NE1 TRP A 99 -5.054 -10.725 7.074 1.00 44.32 N ATOM 1425 CE2 TRP A 99 -4.606 -12.013 7.009 1.00 53.51 C ATOM 1426 CE3 TRP A 99 -5.454 -14.175 6.344 1.00 40.01 C ATOM 1427 CZ2 TRP A 99 -3.369 -12.551 7.348 1.00 12.42 C ATOM 1428 CZ3 TRP A 99 -4.224 -14.707 6.680 1.00 65.04 C ATOM 1429 CH2 TRP A 99 -3.196 -13.898 7.179 1.00 71.45 C ATOM 0 H TRP A 99 -9.134 -11.131 8.510 1.00 14.05 H new ATOM 0 HA TRP A 99 -9.232 -10.579 6.358 1.00 71.55 H new ATOM 0 HB2 TRP A 99 -8.222 -13.387 5.766 1.00 22.34 H new ATOM 0 HB3 TRP A 99 -8.171 -12.013 4.680 1.00 22.34 H new ATOM 0 HD1 TRP A 99 -6.948 -9.780 6.565 1.00 71.31 H new ATOM 0 HE1 TRP A 99 -4.512 -9.926 7.403 1.00 44.32 H new ATOM 0 HE3 TRP A 99 -6.242 -14.808 5.963 1.00 40.01 H new ATOM 0 HZ2 TRP A 99 -2.574 -11.928 7.731 1.00 12.42 H new ATOM 0 HZ3 TRP A 99 -4.052 -15.766 6.555 1.00 65.04 H new ATOM 0 HH2 TRP A 99 -2.247 -14.346 7.436 1.00 71.45 H new ATOM 1440 N GLY A 100 -10.675 -12.411 4.608 1.00 64.21 N ATOM 1441 CA GLY A 100 -11.917 -12.807 3.957 1.00 71.12 C ATOM 1442 C GLY A 100 -12.588 -11.627 3.274 1.00 2.20 C ATOM 1443 O GLY A 100 -11.908 -10.844 2.603 1.00 25.44 O ATOM 0 H GLY A 100 -9.865 -12.372 3.990 1.00 64.21 H new ATOM 0 HA2 GLY A 100 -11.712 -13.586 3.222 1.00 71.12 H new ATOM 0 HA3 GLY A 100 -12.595 -13.236 4.695 1.00 71.12 H new ATOM 1447 N PRO A 101 -13.913 -11.444 3.440 1.00 31.12 N ATOM 1448 CA PRO A 101 -14.628 -10.287 2.874 1.00 1.53 C ATOM 1449 C PRO A 101 -14.085 -8.980 3.448 1.00 14.21 C ATOM 1450 O PRO A 101 -14.187 -7.918 2.836 1.00 33.24 O ATOM 1451 CB PRO A 101 -16.092 -10.514 3.300 1.00 22.23 C ATOM 1452 CG PRO A 101 -16.011 -11.451 4.460 1.00 34.40 C ATOM 1453 CD PRO A 101 -14.820 -12.334 4.189 1.00 31.12 C ATOM 0 HA PRO A 101 -14.514 -10.207 1.793 1.00 1.53 H new ATOM 0 HB2 PRO A 101 -16.572 -9.577 3.581 1.00 22.23 H new ATOM 0 HB3 PRO A 101 -16.679 -10.941 2.487 1.00 22.23 H new ATOM 0 HG2 PRO A 101 -15.889 -10.906 5.396 1.00 34.40 H new ATOM 0 HG3 PRO A 101 -16.923 -12.041 4.551 1.00 34.40 H new ATOM 0 HD2 PRO A 101 -14.364 -12.691 5.112 1.00 31.12 H new ATOM 0 HD3 PRO A 101 -15.094 -13.214 3.607 1.00 31.12 H new ATOM 1461 N ASP A 102 -13.465 -9.100 4.621 1.00 45.35 N ATOM 1462 CA ASP A 102 -12.863 -7.970 5.327 1.00 21.42 C ATOM 1463 C ASP A 102 -11.732 -7.343 4.501 1.00 33.04 C ATOM 1464 O ASP A 102 -11.286 -6.229 4.778 1.00 54.00 O ATOM 1465 CB ASP A 102 -12.342 -8.451 6.692 1.00 23.15 C ATOM 1466 CG ASP A 102 -11.852 -7.319 7.582 1.00 13.40 C ATOM 1467 OD1 ASP A 102 -10.633 -7.235 7.829 1.00 33.02 O ATOM 1468 OD2 ASP A 102 -12.693 -6.520 8.051 1.00 2.43 O ATOM 0 H ASP A 102 -13.366 -9.989 5.111 1.00 45.35 H new ATOM 0 HA ASP A 102 -13.619 -7.199 5.479 1.00 21.42 H new ATOM 0 HB2 ASP A 102 -13.137 -8.991 7.207 1.00 23.15 H new ATOM 0 HB3 ASP A 102 -11.528 -9.158 6.534 1.00 23.15 H new ATOM 1473 N LYS A 103 -11.303 -8.047 3.451 1.00 32.50 N ATOM 1474 CA LYS A 103 -10.241 -7.555 2.575 1.00 52.44 C ATOM 1475 C LYS A 103 -10.762 -6.476 1.630 1.00 33.42 C ATOM 1476 O LYS A 103 -9.975 -5.813 0.967 1.00 62.24 O ATOM 1477 CB LYS A 103 -9.642 -8.685 1.718 1.00 72.23 C ATOM 1478 CG LYS A 103 -8.924 -9.790 2.490 1.00 63.30 C ATOM 1479 CD LYS A 103 -8.227 -10.763 1.533 1.00 33.31 C ATOM 1480 CE LYS A 103 -9.203 -11.368 0.523 1.00 12.25 C ATOM 1481 NZ LYS A 103 -8.517 -12.177 -0.524 1.00 0.14 N ATOM 0 H LYS A 103 -11.676 -8.959 3.188 1.00 32.50 H new ATOM 0 HA LYS A 103 -9.472 -7.143 3.228 1.00 52.44 H new ATOM 0 HB2 LYS A 103 -10.443 -9.137 1.133 1.00 72.23 H new ATOM 0 HB3 LYS A 103 -8.939 -8.246 1.010 1.00 72.23 H new ATOM 0 HG2 LYS A 103 -8.190 -9.349 3.165 1.00 63.30 H new ATOM 0 HG3 LYS A 103 -9.640 -10.332 3.108 1.00 63.30 H new ATOM 0 HD2 LYS A 103 -7.431 -10.241 1.001 1.00 33.31 H new ATOM 0 HD3 LYS A 103 -7.757 -11.562 2.107 1.00 33.31 H new ATOM 0 HE2 LYS A 103 -9.922 -11.996 1.049 1.00 12.25 H new ATOM 0 HE3 LYS A 103 -9.769 -10.568 0.046 1.00 12.25 H new ATOM 0 HZ1 LYS A 103 -9.200 -12.825 -0.965 1.00 0.14 H new ATOM 0 HZ2 LYS A 103 -8.122 -11.544 -1.249 1.00 0.14 H new ATOM 0 HZ3 LYS A 103 -7.749 -12.727 -0.090 1.00 0.14 H new