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 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -0.926 K(o=-0.93,f=-6!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN :FLIP amide:sc=-0.00578 F(o=-1.7,f=-0.0058) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl 174:sc= -1.27 (180deg=-1.43) USER MOD Single : A 60 THR OG1 : rot 117:sc= 0.954 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00274 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 153:sc= 1.87 USER MOD Single : A 75 GLN :FLIP amide:sc= -0.208 F(o=-0.99,f=-0.21) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -120:sc= -0.0315 USER MOD Single : A 92 ASN : amide:sc= -2.58! C(o=-2.6!,f=-3.7!) USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=-0.0045) USER MOD Single : A 103 LYS NZ :NH3+ -179:sc= 0.915 (180deg=0.76) USER MOD ----------------------------------------------------------------- ATOM 110 N ALA A 10 3.905 -6.876 -12.401 1.00 42.40 N ATOM 111 CA ALA A 10 3.748 -5.647 -13.184 1.00 21.13 C ATOM 112 C ALA A 10 4.807 -5.548 -14.295 1.00 55.11 C ATOM 113 O ALA A 10 5.820 -6.253 -14.258 1.00 21.03 O ATOM 114 CB ALA A 10 3.788 -4.420 -12.269 1.00 4.04 C ATOM 0 HA ALA A 10 2.773 -5.679 -13.670 1.00 21.13 H new ATOM 0 HB1 ALA A 10 3.670 -3.516 -12.867 1.00 4.04 H new ATOM 0 HB2 ALA A 10 2.979 -4.482 -11.542 1.00 4.04 H new ATOM 0 HB3 ALA A 10 4.744 -4.387 -11.746 1.00 4.04 H new ATOM 120 N PRO A 11 4.572 -4.695 -15.319 1.00 24.01 N ATOM 121 CA PRO A 11 5.536 -4.472 -16.409 1.00 71.12 C ATOM 122 C PRO A 11 6.923 -4.083 -15.877 1.00 2.25 C ATOM 123 O PRO A 11 7.041 -3.182 -15.053 1.00 33.33 O ATOM 124 CB PRO A 11 4.910 -3.325 -17.228 1.00 20.50 C ATOM 125 CG PRO A 11 3.839 -2.754 -16.357 1.00 51.35 C ATOM 126 CD PRO A 11 3.351 -3.894 -15.512 1.00 1.12 C ATOM 0 HA PRO A 11 5.704 -5.372 -17.001 1.00 71.12 H new ATOM 0 HB2 PRO A 11 5.655 -2.570 -17.480 1.00 20.50 H new ATOM 0 HB3 PRO A 11 4.498 -3.693 -18.168 1.00 20.50 H new ATOM 0 HG2 PRO A 11 4.228 -1.946 -15.737 1.00 51.35 H new ATOM 0 HG3 PRO A 11 3.030 -2.336 -16.955 1.00 51.35 H new ATOM 0 HD2 PRO A 11 2.938 -3.549 -14.564 1.00 1.12 H new ATOM 0 HD3 PRO A 11 2.567 -4.463 -16.012 1.00 1.12 H new ATOM 134 N ALA A 12 7.959 -4.753 -16.388 1.00 11.01 N ATOM 135 CA ALA A 12 9.316 -4.679 -15.832 1.00 41.31 C ATOM 136 C ALA A 12 9.817 -3.240 -15.638 1.00 22.44 C ATOM 137 O ALA A 12 10.008 -2.792 -14.504 1.00 53.34 O ATOM 138 CB ALA A 12 10.281 -5.460 -16.720 1.00 15.12 C ATOM 0 H ALA A 12 7.882 -5.364 -17.201 1.00 11.01 H new ATOM 0 HA ALA A 12 9.275 -5.125 -14.838 1.00 41.31 H new ATOM 0 HB1 ALA A 12 11.287 -5.402 -16.303 1.00 15.12 H new ATOM 0 HB2 ALA A 12 9.968 -6.503 -16.769 1.00 15.12 H new ATOM 0 HB3 ALA A 12 10.279 -5.033 -17.723 1.00 15.12 H new ATOM 144 N GLU A 13 10.021 -2.520 -16.741 1.00 13.14 N ATOM 145 CA GLU A 13 10.620 -1.182 -16.692 1.00 1.30 C ATOM 146 C GLU A 13 9.762 -0.224 -15.868 1.00 72.33 C ATOM 147 O GLU A 13 10.258 0.454 -14.962 1.00 11.05 O ATOM 148 CB GLU A 13 10.810 -0.624 -18.109 1.00 61.21 C ATOM 149 CG GLU A 13 11.750 -1.453 -18.982 1.00 34.24 C ATOM 150 CD GLU A 13 11.994 -0.815 -20.343 1.00 30.13 C ATOM 151 OE1 GLU A 13 11.083 -0.854 -21.198 1.00 30.43 O ATOM 152 OE2 GLU A 13 13.096 -0.266 -20.560 1.00 53.24 O ATOM 0 H GLU A 13 9.781 -2.839 -17.680 1.00 13.14 H new ATOM 0 HA GLU A 13 11.594 -1.272 -16.212 1.00 1.30 H new ATOM 0 HB2 GLU A 13 9.838 -0.562 -18.597 1.00 61.21 H new ATOM 0 HB3 GLU A 13 11.197 0.392 -18.039 1.00 61.21 H new ATOM 0 HG2 GLU A 13 12.702 -1.579 -18.467 1.00 34.24 H new ATOM 0 HG3 GLU A 13 11.328 -2.449 -19.121 1.00 34.24 H new ATOM 159 N GLU A 14 8.474 -0.185 -16.185 1.00 61.23 N ATOM 160 CA GLU A 14 7.531 0.699 -15.510 1.00 70.01 C ATOM 161 C GLU A 14 7.524 0.441 -14.002 1.00 63.45 C ATOM 162 O GLU A 14 7.604 1.378 -13.200 1.00 10.02 O ATOM 163 CB GLU A 14 6.132 0.504 -16.105 1.00 43.43 C ATOM 164 CG GLU A 14 6.051 0.878 -17.583 1.00 12.43 C ATOM 165 CD GLU A 14 4.794 0.360 -18.267 1.00 24.44 C ATOM 166 OE1 GLU A 14 4.894 -0.626 -19.030 1.00 74.01 O ATOM 167 OE2 GLU A 14 3.705 0.933 -18.048 1.00 44.11 O ATOM 0 H GLU A 14 8.055 -0.762 -16.914 1.00 61.23 H new ATOM 0 HA GLU A 14 7.841 1.733 -15.664 1.00 70.01 H new ATOM 0 HB2 GLU A 14 5.834 -0.537 -15.983 1.00 43.43 H new ATOM 0 HB3 GLU A 14 5.418 1.107 -15.544 1.00 43.43 H new ATOM 0 HG2 GLU A 14 6.087 1.963 -17.679 1.00 12.43 H new ATOM 0 HG3 GLU A 14 6.926 0.483 -18.099 1.00 12.43 H new ATOM 174 N LEU A 15 7.464 -0.838 -13.632 1.00 61.42 N ATOM 175 CA LEU A 15 7.423 -1.242 -12.231 1.00 12.14 C ATOM 176 C LEU A 15 8.732 -0.875 -11.542 1.00 62.33 C ATOM 177 O LEU A 15 8.724 -0.430 -10.407 1.00 63.13 O ATOM 178 CB LEU A 15 7.141 -2.758 -12.120 1.00 72.10 C ATOM 179 CG LEU A 15 6.936 -3.336 -10.697 1.00 2.43 C ATOM 180 CD1 LEU A 15 8.269 -3.574 -9.981 1.00 3.33 C ATOM 181 CD2 LEU A 15 6.022 -2.429 -9.865 1.00 13.23 C ATOM 0 H LEU A 15 7.443 -1.616 -14.291 1.00 61.42 H new ATOM 0 HA LEU A 15 6.614 -0.711 -11.730 1.00 12.14 H new ATOM 0 HB2 LEU A 15 6.250 -2.980 -12.707 1.00 72.10 H new ATOM 0 HB3 LEU A 15 7.970 -3.291 -12.585 1.00 72.10 H new ATOM 0 HG LEU A 15 6.449 -4.305 -10.807 1.00 2.43 H new ATOM 0 HD11 LEU A 15 8.081 -3.979 -8.987 1.00 3.33 H new ATOM 0 HD12 LEU A 15 8.868 -4.281 -10.554 1.00 3.33 H new ATOM 0 HD13 LEU A 15 8.808 -2.631 -9.892 1.00 3.33 H new ATOM 0 HD21 LEU A 15 5.893 -2.856 -8.870 1.00 13.23 H new ATOM 0 HD22 LEU A 15 6.471 -1.440 -9.780 1.00 13.23 H new ATOM 0 HD23 LEU A 15 5.051 -2.346 -10.352 1.00 13.23 H new ATOM 193 N LEU A 16 9.849 -1.058 -12.239 1.00 55.12 N ATOM 194 CA LEU A 16 11.165 -0.770 -11.668 1.00 31.50 C ATOM 195 C LEU A 16 11.225 0.667 -11.145 1.00 61.25 C ATOM 196 O LEU A 16 11.440 0.898 -9.949 1.00 23.25 O ATOM 197 CB LEU A 16 12.265 -1.002 -12.714 1.00 44.24 C ATOM 198 CG LEU A 16 13.706 -0.746 -12.230 1.00 74.01 C ATOM 199 CD1 LEU A 16 14.073 -1.678 -11.075 1.00 14.04 C ATOM 200 CD2 LEU A 16 14.694 -0.899 -13.384 1.00 1.20 C ATOM 0 H LEU A 16 9.872 -1.404 -13.198 1.00 55.12 H new ATOM 0 HA LEU A 16 11.330 -1.448 -10.831 1.00 31.50 H new ATOM 0 HB2 LEU A 16 12.196 -2.031 -13.066 1.00 44.24 H new ATOM 0 HB3 LEU A 16 12.069 -0.358 -13.571 1.00 44.24 H new ATOM 0 HG LEU A 16 13.762 0.279 -11.862 1.00 74.01 H new ATOM 0 HD11 LEU A 16 15.095 -1.475 -10.754 1.00 14.04 H new ATOM 0 HD12 LEU A 16 13.391 -1.511 -10.241 1.00 14.04 H new ATOM 0 HD13 LEU A 16 13.995 -2.714 -11.405 1.00 14.04 H new ATOM 0 HD21 LEU A 16 15.706 -0.715 -13.023 1.00 1.20 H new ATOM 0 HD22 LEU A 16 14.631 -1.910 -13.786 1.00 1.20 H new ATOM 0 HD23 LEU A 16 14.452 -0.181 -14.168 1.00 1.20 H new ATOM 212 N ALA A 17 11.006 1.622 -12.041 1.00 73.10 N ATOM 213 CA ALA A 17 11.051 3.037 -11.684 1.00 34.25 C ATOM 214 C ALA A 17 9.951 3.384 -10.680 1.00 24.13 C ATOM 215 O ALA A 17 10.211 4.001 -9.641 1.00 75.05 O ATOM 216 CB ALA A 17 10.926 3.900 -12.937 1.00 23.53 C ATOM 0 H ALA A 17 10.795 1.443 -13.023 1.00 73.10 H new ATOM 0 HA ALA A 17 12.012 3.241 -11.212 1.00 34.25 H new ATOM 0 HB1 ALA A 17 10.961 4.953 -12.658 1.00 23.53 H new ATOM 0 HB2 ALA A 17 11.749 3.677 -13.616 1.00 23.53 H new ATOM 0 HB3 ALA A 17 9.979 3.687 -13.433 1.00 23.53 H new ATOM 222 N ASP A 18 8.726 2.953 -10.983 1.00 71.13 N ATOM 223 CA ASP A 18 7.568 3.283 -10.155 1.00 64.31 C ATOM 224 C ASP A 18 7.749 2.775 -8.729 1.00 34.02 C ATOM 225 O ASP A 18 7.505 3.504 -7.771 1.00 73.33 O ATOM 226 CB ASP A 18 6.283 2.705 -10.763 1.00 53.14 C ATOM 227 CG ASP A 18 5.036 3.074 -9.971 1.00 71.23 C ATOM 228 OD1 ASP A 18 4.820 4.282 -9.725 1.00 60.32 O ATOM 229 OD2 ASP A 18 4.249 2.169 -9.633 1.00 33.10 O ATOM 0 H ASP A 18 8.511 2.375 -11.795 1.00 71.13 H new ATOM 0 HA ASP A 18 7.482 4.369 -10.123 1.00 64.31 H new ATOM 0 HB2 ASP A 18 6.177 3.065 -11.786 1.00 53.14 H new ATOM 0 HB3 ASP A 18 6.367 1.619 -10.814 1.00 53.14 H new ATOM 234 N VAL A 19 8.209 1.537 -8.590 1.00 43.51 N ATOM 235 CA VAL A 19 8.388 0.939 -7.275 1.00 23.30 C ATOM 236 C VAL A 19 9.603 1.548 -6.579 1.00 44.32 C ATOM 237 O VAL A 19 9.616 1.688 -5.362 1.00 12.00 O ATOM 238 CB VAL A 19 8.533 -0.607 -7.330 1.00 32.43 C ATOM 239 CG1 VAL A 19 9.947 -1.028 -7.732 1.00 60.21 C ATOM 240 CG2 VAL A 19 8.138 -1.229 -5.993 1.00 71.22 C ATOM 0 H VAL A 19 8.464 0.931 -9.370 1.00 43.51 H new ATOM 0 HA VAL A 19 7.485 1.158 -6.705 1.00 23.30 H new ATOM 0 HB VAL A 19 7.854 -0.977 -8.098 1.00 32.43 H new ATOM 0 HG11 VAL A 19 10.009 -2.116 -7.759 1.00 60.21 H new ATOM 0 HG12 VAL A 19 10.180 -0.626 -8.718 1.00 60.21 H new ATOM 0 HG13 VAL A 19 10.662 -0.642 -7.005 1.00 60.21 H new ATOM 0 HG21 VAL A 19 8.246 -2.312 -6.050 1.00 71.22 H new ATOM 0 HG22 VAL A 19 8.785 -0.841 -5.206 1.00 71.22 H new ATOM 0 HG23 VAL A 19 7.101 -0.979 -5.767 1.00 71.22 H new ATOM 250 N GLU A 20 10.623 1.913 -7.357 1.00 43.42 N ATOM 251 CA GLU A 20 11.802 2.577 -6.804 1.00 52.35 C ATOM 252 C GLU A 20 11.384 3.878 -6.118 1.00 25.35 C ATOM 253 O GLU A 20 11.870 4.218 -5.035 1.00 34.23 O ATOM 254 CB GLU A 20 12.833 2.847 -7.914 1.00 23.41 C ATOM 255 CG GLU A 20 14.131 3.480 -7.425 1.00 41.10 C ATOM 256 CD GLU A 20 15.180 3.581 -8.523 1.00 32.34 C ATOM 257 OE1 GLU A 20 16.029 2.667 -8.630 1.00 55.32 O ATOM 258 OE2 GLU A 20 15.164 4.568 -9.287 1.00 31.20 O ATOM 0 H GLU A 20 10.656 1.761 -8.365 1.00 43.42 H new ATOM 0 HA GLU A 20 12.268 1.927 -6.064 1.00 52.35 H new ATOM 0 HB2 GLU A 20 13.067 1.907 -8.413 1.00 23.41 H new ATOM 0 HB3 GLU A 20 12.383 3.501 -8.661 1.00 23.41 H new ATOM 0 HG2 GLU A 20 13.921 4.476 -7.035 1.00 41.10 H new ATOM 0 HG3 GLU A 20 14.530 2.891 -6.599 1.00 41.10 H new ATOM 265 N GLU A 21 10.469 4.598 -6.764 1.00 63.02 N ATOM 266 CA GLU A 21 9.889 5.812 -6.196 1.00 31.02 C ATOM 267 C GLU A 21 8.919 5.477 -5.058 1.00 33.21 C ATOM 268 O GLU A 21 8.969 6.086 -3.989 1.00 65.45 O ATOM 269 CB GLU A 21 9.174 6.613 -7.290 1.00 23.12 C ATOM 270 CG GLU A 21 10.111 7.092 -8.395 1.00 62.44 C ATOM 271 CD GLU A 21 9.405 7.916 -9.458 1.00 42.14 C ATOM 272 OE1 GLU A 21 8.905 9.011 -9.131 1.00 75.44 O ATOM 273 OE2 GLU A 21 9.376 7.490 -10.631 1.00 62.21 O ATOM 0 H GLU A 21 10.111 4.358 -7.689 1.00 63.02 H new ATOM 0 HA GLU A 21 10.696 6.418 -5.783 1.00 31.02 H new ATOM 0 HB2 GLU A 21 8.390 5.996 -7.729 1.00 23.12 H new ATOM 0 HB3 GLU A 21 8.685 7.476 -6.838 1.00 23.12 H new ATOM 0 HG2 GLU A 21 10.910 7.687 -7.953 1.00 62.44 H new ATOM 0 HG3 GLU A 21 10.580 6.228 -8.865 1.00 62.44 H new ATOM 280 N ALA A 22 8.051 4.490 -5.291 1.00 72.03 N ATOM 281 CA ALA A 22 7.010 4.115 -4.328 1.00 75.03 C ATOM 282 C ALA A 22 7.612 3.592 -3.026 1.00 55.05 C ATOM 283 O ALA A 22 7.038 3.770 -1.950 1.00 73.23 O ATOM 284 CB ALA A 22 6.076 3.072 -4.934 1.00 44.14 C ATOM 0 H ALA A 22 8.048 3.932 -6.145 1.00 72.03 H new ATOM 0 HA ALA A 22 6.437 5.012 -4.094 1.00 75.03 H new ATOM 0 HB1 ALA A 22 5.309 2.804 -4.207 1.00 44.14 H new ATOM 0 HB2 ALA A 22 5.603 3.482 -5.826 1.00 44.14 H new ATOM 0 HB3 ALA A 22 6.648 2.184 -5.202 1.00 44.14 H new ATOM 290 N MET A 23 8.773 2.952 -3.130 1.00 34.20 N ATOM 291 CA MET A 23 9.488 2.429 -1.963 1.00 21.13 C ATOM 292 C MET A 23 9.926 3.569 -1.044 1.00 12.32 C ATOM 293 O MET A 23 10.338 3.336 0.088 1.00 30.24 O ATOM 294 CB MET A 23 10.705 1.588 -2.391 1.00 3.32 C ATOM 295 CG MET A 23 10.357 0.179 -2.870 1.00 12.23 C ATOM 296 SD MET A 23 9.536 -0.799 -1.593 1.00 34.45 S ATOM 297 CE MET A 23 9.350 -2.376 -2.430 1.00 35.52 C ATOM 0 H MET A 23 9.245 2.780 -4.018 1.00 34.20 H new ATOM 0 HA MET A 23 8.804 1.782 -1.413 1.00 21.13 H new ATOM 0 HB2 MET A 23 11.231 2.111 -3.189 1.00 3.32 H new ATOM 0 HB3 MET A 23 11.395 1.514 -1.550 1.00 3.32 H new ATOM 0 HG2 MET A 23 9.710 0.245 -3.745 1.00 12.23 H new ATOM 0 HG3 MET A 23 11.268 -0.330 -3.184 1.00 12.23 H new ATOM 0 HE1 MET A 23 8.857 -3.085 -1.765 1.00 35.52 H new ATOM 0 HE2 MET A 23 8.747 -2.242 -3.328 1.00 35.52 H new ATOM 0 HE3 MET A 23 10.332 -2.760 -2.706 1.00 35.52 H new ATOM 307 N ARG A 24 9.857 4.796 -1.549 1.00 44.30 N ATOM 308 CA ARG A 24 10.206 5.979 -0.767 1.00 44.20 C ATOM 309 C ARG A 24 8.989 6.499 0.001 1.00 24.34 C ATOM 310 O ARG A 24 9.128 7.282 0.940 1.00 21.15 O ATOM 311 CB ARG A 24 10.740 7.077 -1.697 1.00 14.10 C ATOM 312 CG ARG A 24 11.200 8.341 -0.974 1.00 22.35 C ATOM 313 CD ARG A 24 11.506 9.473 -1.949 1.00 63.03 C ATOM 314 NE ARG A 24 12.521 9.102 -2.940 1.00 64.32 N ATOM 315 CZ ARG A 24 13.526 9.896 -3.306 1.00 23.42 C ATOM 316 NH1 ARG A 24 13.718 11.064 -2.696 1.00 54.13 N ATOM 317 NH2 ARG A 24 14.348 9.515 -4.274 1.00 73.53 N ATOM 0 H ARG A 24 9.560 4.999 -2.504 1.00 44.30 H new ATOM 0 HA ARG A 24 10.978 5.703 -0.048 1.00 44.20 H new ATOM 0 HB2 ARG A 24 11.575 6.676 -2.272 1.00 14.10 H new ATOM 0 HB3 ARG A 24 9.961 7.344 -2.411 1.00 14.10 H new ATOM 0 HG2 ARG A 24 10.427 8.662 -0.276 1.00 22.35 H new ATOM 0 HG3 ARG A 24 12.090 8.119 -0.384 1.00 22.35 H new ATOM 0 HD2 ARG A 24 10.590 9.763 -2.463 1.00 63.03 H new ATOM 0 HD3 ARG A 24 11.848 10.345 -1.392 1.00 63.03 H new ATOM 0 HE ARG A 24 12.454 8.182 -3.375 1.00 64.32 H new ATOM 0 HH11 ARG A 24 13.094 11.355 -1.944 1.00 54.13 H new ATOM 0 HH12 ARG A 24 14.489 11.667 -2.981 1.00 54.13 H new ATOM 0 HH21 ARG A 24 14.210 8.616 -4.736 1.00 73.53 H new ATOM 0 HH22 ARG A 24 15.119 10.121 -4.557 1.00 73.53 H new ATOM 331 N ASP A 25 7.798 6.044 -0.386 1.00 51.32 N ATOM 332 CA ASP A 25 6.552 6.565 0.180 1.00 41.22 C ATOM 333 C ASP A 25 5.931 5.501 1.061 1.00 3.44 C ATOM 334 O ASP A 25 5.207 5.785 2.017 1.00 11.34 O ATOM 335 CB ASP A 25 5.568 6.946 -0.941 1.00 60.43 C ATOM 336 CG ASP A 25 6.079 8.066 -1.836 1.00 62.33 C ATOM 337 OD1 ASP A 25 6.048 9.240 -1.408 1.00 54.51 O ATOM 338 OD2 ASP A 25 6.507 7.782 -2.977 1.00 23.11 O ATOM 0 H ASP A 25 7.668 5.316 -1.089 1.00 51.32 H new ATOM 0 HA ASP A 25 6.770 7.457 0.767 1.00 41.22 H new ATOM 0 HB2 ASP A 25 5.365 6.066 -1.552 1.00 60.43 H new ATOM 0 HB3 ASP A 25 4.621 7.250 -0.496 1.00 60.43 H new ATOM 343 N VAL A 26 6.249 4.267 0.718 1.00 60.44 N ATOM 344 CA VAL A 26 5.708 3.101 1.354 1.00 12.30 C ATOM 345 C VAL A 26 6.820 2.372 2.114 1.00 50.42 C ATOM 346 O VAL A 26 7.293 1.309 1.706 1.00 63.51 O ATOM 347 CB VAL A 26 5.062 2.203 0.271 1.00 55.55 C ATOM 348 CG1 VAL A 26 4.610 0.886 0.850 1.00 13.24 C ATOM 349 CG2 VAL A 26 3.896 2.933 -0.405 1.00 1.54 C ATOM 0 H VAL A 26 6.908 4.052 -0.030 1.00 60.44 H new ATOM 0 HA VAL A 26 4.940 3.373 2.078 1.00 12.30 H new ATOM 0 HB VAL A 26 5.818 1.988 -0.484 1.00 55.55 H new ATOM 0 HG11 VAL A 26 4.161 0.278 0.065 1.00 13.24 H new ATOM 0 HG12 VAL A 26 5.467 0.360 1.270 1.00 13.24 H new ATOM 0 HG13 VAL A 26 3.875 1.066 1.634 1.00 13.24 H new ATOM 0 HG21 VAL A 26 3.453 2.287 -1.164 1.00 1.54 H new ATOM 0 HG22 VAL A 26 3.143 3.185 0.341 1.00 1.54 H new ATOM 0 HG23 VAL A 26 4.262 3.846 -0.874 1.00 1.54 H new ATOM 359 N VAL A 27 7.265 2.993 3.203 1.00 45.50 N ATOM 360 CA VAL A 27 8.342 2.460 4.034 1.00 54.04 C ATOM 361 C VAL A 27 8.587 3.420 5.192 1.00 11.12 C ATOM 362 O VAL A 27 7.995 4.503 5.231 1.00 4.41 O ATOM 363 CB VAL A 27 9.659 2.289 3.217 1.00 15.32 C ATOM 364 CG1 VAL A 27 10.362 3.633 3.008 1.00 41.14 C ATOM 365 CG2 VAL A 27 10.603 1.280 3.869 1.00 2.41 C ATOM 0 H VAL A 27 6.889 3.881 3.535 1.00 45.50 H new ATOM 0 HA VAL A 27 8.045 1.479 4.403 1.00 54.04 H new ATOM 0 HB VAL A 27 9.380 1.896 2.239 1.00 15.32 H new ATOM 0 HG11 VAL A 27 11.277 3.480 2.435 1.00 41.14 H new ATOM 0 HG12 VAL A 27 9.702 4.308 2.464 1.00 41.14 H new ATOM 0 HG13 VAL A 27 10.609 4.069 3.976 1.00 41.14 H new ATOM 0 HG21 VAL A 27 11.509 1.189 3.270 1.00 2.41 H new ATOM 0 HG22 VAL A 27 10.864 1.620 4.871 1.00 2.41 H new ATOM 0 HG23 VAL A 27 10.111 0.309 3.932 1.00 2.41 H new ATOM 375 N ASP A 28 9.439 3.032 6.133 1.00 21.54 N ATOM 376 CA ASP A 28 9.900 3.949 7.171 1.00 13.31 C ATOM 377 C ASP A 28 11.349 4.344 6.875 1.00 22.35 C ATOM 378 O ASP A 28 12.281 3.660 7.296 1.00 3.25 O ATOM 379 CB ASP A 28 9.795 3.302 8.559 1.00 54.05 C ATOM 380 CG ASP A 28 10.164 4.259 9.691 1.00 54.12 C ATOM 381 OD1 ASP A 28 9.264 4.649 10.465 1.00 34.12 O ATOM 382 OD2 ASP A 28 11.355 4.623 9.809 1.00 42.44 O ATOM 0 H ASP A 28 9.825 2.090 6.200 1.00 21.54 H new ATOM 0 HA ASP A 28 9.269 4.838 7.171 1.00 13.31 H new ATOM 0 HB2 ASP A 28 8.777 2.943 8.711 1.00 54.05 H new ATOM 0 HB3 ASP A 28 10.449 2.431 8.599 1.00 54.05 H new ATOM 387 N PRO A 29 11.564 5.423 6.102 1.00 13.32 N ATOM 388 CA PRO A 29 12.908 5.850 5.718 1.00 45.10 C ATOM 389 C PRO A 29 13.586 6.689 6.800 1.00 52.01 C ATOM 390 O PRO A 29 14.815 6.758 6.867 1.00 54.24 O ATOM 391 CB PRO A 29 12.650 6.677 4.453 1.00 71.43 C ATOM 392 CG PRO A 29 11.287 7.262 4.647 1.00 64.33 C ATOM 393 CD PRO A 29 10.520 6.303 5.533 1.00 23.11 C ATOM 0 HA PRO A 29 13.587 5.011 5.564 1.00 45.10 H new ATOM 0 HB2 PRO A 29 13.401 7.457 4.331 1.00 71.43 H new ATOM 0 HB3 PRO A 29 12.689 6.054 3.559 1.00 71.43 H new ATOM 0 HG2 PRO A 29 11.352 8.247 5.109 1.00 64.33 H new ATOM 0 HG3 PRO A 29 10.782 7.391 3.690 1.00 64.33 H new ATOM 0 HD2 PRO A 29 9.975 6.832 6.315 1.00 23.11 H new ATOM 0 HD3 PRO A 29 9.786 5.734 4.963 1.00 23.11 H new ATOM 401 N GLU A 30 12.778 7.314 7.651 1.00 31.04 N ATOM 402 CA GLU A 30 13.287 8.209 8.682 1.00 34.11 C ATOM 403 C GLU A 30 14.059 7.432 9.751 1.00 71.41 C ATOM 404 O GLU A 30 15.242 7.694 9.983 1.00 43.14 O ATOM 405 CB GLU A 30 12.136 9.007 9.309 1.00 1.22 C ATOM 406 CG GLU A 30 11.293 9.765 8.285 1.00 41.52 C ATOM 407 CD GLU A 30 12.131 10.609 7.331 1.00 61.11 C ATOM 408 OE1 GLU A 30 12.205 10.267 6.130 1.00 61.35 O ATOM 409 OE2 GLU A 30 12.729 11.611 7.777 1.00 13.00 O ATOM 0 H GLU A 30 11.763 7.215 7.646 1.00 31.04 H new ATOM 0 HA GLU A 30 13.980 8.910 8.217 1.00 34.11 H new ATOM 0 HB2 GLU A 30 11.492 8.325 9.865 1.00 1.22 H new ATOM 0 HB3 GLU A 30 12.545 9.717 10.028 1.00 1.22 H new ATOM 0 HG2 GLU A 30 10.704 9.052 7.708 1.00 41.52 H new ATOM 0 HG3 GLU A 30 10.588 10.411 8.809 1.00 41.52 H new ATOM 416 N LEU A 31 13.399 6.464 10.385 1.00 23.52 N ATOM 417 CA LEU A 31 14.041 5.645 11.411 1.00 45.43 C ATOM 418 C LEU A 31 14.692 4.421 10.774 1.00 71.24 C ATOM 419 O LEU A 31 15.552 3.774 11.380 1.00 11.15 O ATOM 420 CB LEU A 31 13.030 5.225 12.487 1.00 24.24 C ATOM 421 CG LEU A 31 12.340 6.386 13.223 1.00 42.52 C ATOM 422 CD1 LEU A 31 11.408 5.856 14.306 1.00 14.32 C ATOM 423 CD2 LEU A 31 13.371 7.342 13.818 1.00 72.23 C ATOM 0 H LEU A 31 12.423 6.228 10.207 1.00 23.52 H new ATOM 0 HA LEU A 31 14.816 6.240 11.894 1.00 45.43 H new ATOM 0 HB2 LEU A 31 12.264 4.604 12.022 1.00 24.24 H new ATOM 0 HB3 LEU A 31 13.542 4.603 13.221 1.00 24.24 H new ATOM 0 HG LEU A 31 11.743 6.941 12.499 1.00 42.52 H new ATOM 0 HD11 LEU A 31 10.929 6.692 14.815 1.00 14.32 H new ATOM 0 HD12 LEU A 31 10.645 5.223 13.852 1.00 14.32 H new ATOM 0 HD13 LEU A 31 11.982 5.273 15.026 1.00 14.32 H new ATOM 0 HD21 LEU A 31 12.859 8.155 14.333 1.00 72.23 H new ATOM 0 HD22 LEU A 31 14.001 6.803 14.526 1.00 72.23 H new ATOM 0 HD23 LEU A 31 13.990 7.752 13.020 1.00 72.23 H new ATOM 435 N GLY A 32 14.261 4.105 9.555 1.00 43.44 N ATOM 436 CA GLY A 32 14.940 3.107 8.744 1.00 41.41 C ATOM 437 C GLY A 32 14.384 1.705 8.910 1.00 60.43 C ATOM 438 O GLY A 32 15.146 0.749 9.082 1.00 30.35 O ATOM 0 H GLY A 32 13.445 4.527 9.111 1.00 43.44 H new ATOM 0 HA2 GLY A 32 14.869 3.395 7.695 1.00 41.41 H new ATOM 0 HA3 GLY A 32 15.999 3.101 9.002 1.00 41.41 H new ATOM 442 N ILE A 33 13.061 1.571 8.860 1.00 65.34 N ATOM 443 CA ILE A 33 12.423 0.253 8.885 1.00 71.24 C ATOM 444 C ILE A 33 11.752 -0.014 7.541 1.00 42.45 C ATOM 445 O ILE A 33 11.136 0.879 6.950 1.00 63.43 O ATOM 446 CB ILE A 33 11.356 0.108 10.011 1.00 1.35 C ATOM 447 CG1 ILE A 33 11.949 0.410 11.404 1.00 21.22 C ATOM 448 CG2 ILE A 33 10.740 -1.294 9.992 1.00 44.40 C ATOM 449 CD1 ILE A 33 12.155 1.883 11.687 1.00 60.13 C ATOM 0 H ILE A 33 12.410 2.354 8.802 1.00 65.34 H new ATOM 0 HA ILE A 33 13.213 -0.471 9.086 1.00 71.24 H new ATOM 0 HB ILE A 33 10.575 0.842 9.815 1.00 1.35 H new ATOM 0 HG12 ILE A 33 11.288 -0.005 12.165 1.00 21.22 H new ATOM 0 HG13 ILE A 33 12.906 -0.103 11.498 1.00 21.22 H new ATOM 0 HG21 ILE A 33 9.997 -1.376 10.786 1.00 44.40 H new ATOM 0 HG22 ILE A 33 10.262 -1.468 9.028 1.00 44.40 H new ATOM 0 HG23 ILE A 33 11.522 -2.037 10.149 1.00 44.40 H new ATOM 0 HD11 ILE A 33 12.574 2.006 12.685 1.00 60.13 H new ATOM 0 HD12 ILE A 33 12.841 2.302 10.951 1.00 60.13 H new ATOM 0 HD13 ILE A 33 11.198 2.402 11.629 1.00 60.13 H new ATOM 461 N ASN A 34 11.859 -1.246 7.073 1.00 12.45 N ATOM 462 CA ASN A 34 11.246 -1.652 5.816 1.00 12.52 C ATOM 463 C ASN A 34 10.063 -2.565 6.109 1.00 33.24 C ATOM 464 O ASN A 34 10.175 -3.519 6.871 1.00 62.13 O ATOM 465 CB ASN A 34 12.276 -2.322 4.888 1.00 62.31 C ATOM 466 CG ASN A 34 13.057 -3.437 5.561 1.00 21.12 C ATOM 467 OD1 ASN A 34 12.667 -4.598 5.519 1.00 73.44 O ATOM 468 ND2 ASN A 34 14.179 -3.092 6.182 1.00 72.20 N ATOM 0 H ASN A 34 12.369 -1.990 7.549 1.00 12.45 H new ATOM 0 HA ASN A 34 10.881 -0.771 5.288 1.00 12.52 H new ATOM 0 HB2 ASN A 34 11.761 -2.724 4.016 1.00 62.31 H new ATOM 0 HB3 ASN A 34 12.974 -1.567 4.526 1.00 62.31 H new ATOM 0 HD21 ASN A 34 14.746 -3.803 6.644 1.00 72.20 H new ATOM 0 HD22 ASN A 34 14.474 -2.116 6.197 1.00 72.20 H new ATOM 475 N VAL A 35 8.923 -2.247 5.506 1.00 62.32 N ATOM 476 CA VAL A 35 7.654 -2.897 5.836 1.00 72.24 C ATOM 477 C VAL A 35 7.727 -4.424 5.683 1.00 21.32 C ATOM 478 O VAL A 35 7.027 -5.161 6.387 1.00 71.52 O ATOM 479 CB VAL A 35 6.505 -2.326 4.965 1.00 51.42 C ATOM 480 CG1 VAL A 35 5.159 -2.947 5.342 1.00 61.13 C ATOM 481 CG2 VAL A 35 6.455 -0.798 5.086 1.00 63.43 C ATOM 0 H VAL A 35 8.849 -1.536 4.778 1.00 62.32 H new ATOM 0 HA VAL A 35 7.449 -2.682 6.885 1.00 72.24 H new ATOM 0 HB VAL A 35 6.706 -2.586 3.926 1.00 51.42 H new ATOM 0 HG11 VAL A 35 4.375 -2.525 4.713 1.00 61.13 H new ATOM 0 HG12 VAL A 35 5.202 -4.026 5.194 1.00 61.13 H new ATOM 0 HG13 VAL A 35 4.940 -2.733 6.388 1.00 61.13 H new ATOM 0 HG21 VAL A 35 5.644 -0.411 4.469 1.00 63.43 H new ATOM 0 HG22 VAL A 35 6.284 -0.521 6.126 1.00 63.43 H new ATOM 0 HG23 VAL A 35 7.401 -0.375 4.748 1.00 63.43 H new ATOM 491 N VAL A 36 8.594 -4.896 4.785 1.00 53.01 N ATOM 492 CA VAL A 36 8.741 -6.333 4.549 1.00 62.55 C ATOM 493 C VAL A 36 9.207 -7.057 5.822 1.00 43.41 C ATOM 494 O VAL A 36 8.948 -8.249 5.984 1.00 35.12 O ATOM 495 CB VAL A 36 9.704 -6.649 3.371 1.00 73.11 C ATOM 496 CG1 VAL A 36 9.190 -6.020 2.076 1.00 15.14 C ATOM 497 CG2 VAL A 36 11.127 -6.188 3.670 1.00 11.22 C ATOM 0 H VAL A 36 9.201 -4.309 4.213 1.00 53.01 H new ATOM 0 HA VAL A 36 7.754 -6.702 4.271 1.00 62.55 H new ATOM 0 HB VAL A 36 9.731 -7.731 3.245 1.00 73.11 H new ATOM 0 HG11 VAL A 36 9.877 -6.251 1.262 1.00 15.14 H new ATOM 0 HG12 VAL A 36 8.203 -6.421 1.844 1.00 15.14 H new ATOM 0 HG13 VAL A 36 9.123 -4.939 2.198 1.00 15.14 H new ATOM 0 HG21 VAL A 36 11.772 -6.426 2.824 1.00 11.22 H new ATOM 0 HG22 VAL A 36 11.133 -5.111 3.839 1.00 11.22 H new ATOM 0 HG23 VAL A 36 11.495 -6.697 4.561 1.00 11.22 H new ATOM 507 N ASP A 37 9.877 -6.321 6.722 1.00 41.01 N ATOM 508 CA ASP A 37 10.273 -6.864 8.035 1.00 45.14 C ATOM 509 C ASP A 37 9.068 -7.463 8.756 1.00 4.32 C ATOM 510 O ASP A 37 9.193 -8.469 9.457 1.00 41.24 O ATOM 511 CB ASP A 37 10.899 -5.776 8.939 1.00 60.34 C ATOM 512 CG ASP A 37 12.347 -5.446 8.606 1.00 74.14 C ATOM 513 OD1 ASP A 37 13.163 -6.385 8.473 1.00 63.12 O ATOM 514 OD2 ASP A 37 12.695 -4.246 8.529 1.00 41.34 O ATOM 0 H ASP A 37 10.156 -5.352 6.568 1.00 41.01 H new ATOM 0 HA ASP A 37 11.017 -7.638 7.845 1.00 45.14 H new ATOM 0 HB2 ASP A 37 10.303 -4.867 8.860 1.00 60.34 H new ATOM 0 HB3 ASP A 37 10.842 -6.105 9.977 1.00 60.34 H new ATOM 519 N LEU A 38 7.903 -6.842 8.578 1.00 53.22 N ATOM 520 CA LEU A 38 6.679 -7.284 9.249 1.00 12.43 C ATOM 521 C LEU A 38 6.092 -8.509 8.552 1.00 14.12 C ATOM 522 O LEU A 38 5.273 -9.226 9.123 1.00 5.14 O ATOM 523 CB LEU A 38 5.635 -6.152 9.287 1.00 51.12 C ATOM 524 CG LEU A 38 5.974 -4.951 10.197 1.00 22.21 C ATOM 525 CD1 LEU A 38 7.188 -4.174 9.684 1.00 25.54 C ATOM 526 CD2 LEU A 38 4.766 -4.027 10.335 1.00 52.35 C ATOM 0 H LEU A 38 7.780 -6.030 7.974 1.00 53.22 H new ATOM 0 HA LEU A 38 6.939 -7.554 10.273 1.00 12.43 H new ATOM 0 HB2 LEU A 38 5.490 -5.784 8.271 1.00 51.12 H new ATOM 0 HB3 LEU A 38 4.684 -6.572 9.613 1.00 51.12 H new ATOM 0 HG LEU A 38 6.230 -5.346 11.180 1.00 22.21 H new ATOM 0 HD11 LEU A 38 7.393 -3.337 10.352 1.00 25.54 H new ATOM 0 HD12 LEU A 38 8.055 -4.834 9.652 1.00 25.54 H new ATOM 0 HD13 LEU A 38 6.982 -3.796 8.683 1.00 25.54 H new ATOM 0 HD21 LEU A 38 5.023 -3.186 10.979 1.00 52.35 H new ATOM 0 HD22 LEU A 38 4.478 -3.656 9.352 1.00 52.35 H new ATOM 0 HD23 LEU A 38 3.934 -4.579 10.773 1.00 52.35 H new ATOM 538 N GLY A 39 6.516 -8.727 7.309 1.00 54.51 N ATOM 539 CA GLY A 39 6.042 -9.852 6.512 1.00 64.21 C ATOM 540 C GLY A 39 4.530 -9.893 6.358 1.00 71.31 C ATOM 541 O GLY A 39 3.963 -10.945 6.069 1.00 24.01 O ATOM 0 H GLY A 39 7.193 -8.133 6.830 1.00 54.51 H new ATOM 0 HA2 GLY A 39 6.499 -9.804 5.523 1.00 64.21 H new ATOM 0 HA3 GLY A 39 6.377 -10.781 6.974 1.00 64.21 H new ATOM 545 N LEU A 40 3.877 -8.743 6.519 1.00 13.51 N ATOM 546 CA LEU A 40 2.426 -8.656 6.343 1.00 24.10 C ATOM 547 C LEU A 40 2.095 -8.251 4.910 1.00 53.50 C ATOM 548 O LEU A 40 1.005 -8.523 4.414 1.00 21.22 O ATOM 549 CB LEU A 40 1.806 -7.652 7.333 1.00 35.03 C ATOM 550 CG LEU A 40 0.269 -7.542 7.281 1.00 31.24 C ATOM 551 CD1 LEU A 40 -0.384 -8.882 7.616 1.00 13.33 C ATOM 552 CD2 LEU A 40 -0.234 -6.451 8.223 1.00 11.11 C ATOM 0 H LEU A 40 4.326 -7.862 6.770 1.00 13.51 H new ATOM 0 HA LEU A 40 2.000 -9.639 6.545 1.00 24.10 H new ATOM 0 HB2 LEU A 40 2.100 -7.934 8.344 1.00 35.03 H new ATOM 0 HB3 LEU A 40 2.231 -6.667 7.141 1.00 35.03 H new ATOM 0 HG LEU A 40 -0.012 -7.269 6.264 1.00 31.24 H new ATOM 0 HD11 LEU A 40 -1.468 -8.779 7.573 1.00 13.33 H new ATOM 0 HD12 LEU A 40 -0.062 -9.634 6.896 1.00 13.33 H new ATOM 0 HD13 LEU A 40 -0.088 -9.190 8.619 1.00 13.33 H new ATOM 0 HD21 LEU A 40 -1.321 -6.395 8.167 1.00 11.11 H new ATOM 0 HD22 LEU A 40 0.065 -6.686 9.245 1.00 11.11 H new ATOM 0 HD23 LEU A 40 0.195 -5.492 7.931 1.00 11.11 H new ATOM 564 N VAL A 41 3.064 -7.626 4.243 1.00 20.10 N ATOM 565 CA VAL A 41 2.885 -7.150 2.871 1.00 3.43 C ATOM 566 C VAL A 41 2.675 -8.326 1.906 1.00 51.44 C ATOM 567 O VAL A 41 2.290 -8.141 0.752 1.00 14.42 O ATOM 568 CB VAL A 41 4.102 -6.294 2.421 1.00 41.22 C ATOM 569 CG1 VAL A 41 5.363 -7.151 2.306 1.00 12.40 C ATOM 570 CG2 VAL A 41 3.806 -5.559 1.114 1.00 33.01 C ATOM 0 H VAL A 41 3.987 -7.436 4.633 1.00 20.10 H new ATOM 0 HA VAL A 41 1.994 -6.523 2.848 1.00 3.43 H new ATOM 0 HB VAL A 41 4.284 -5.540 3.187 1.00 41.22 H new ATOM 0 HG11 VAL A 41 6.199 -6.527 1.990 1.00 12.40 H new ATOM 0 HG12 VAL A 41 5.589 -7.597 3.274 1.00 12.40 H new ATOM 0 HG13 VAL A 41 5.201 -7.940 1.572 1.00 12.40 H new ATOM 0 HG21 VAL A 41 4.675 -4.968 0.824 1.00 33.01 H new ATOM 0 HG22 VAL A 41 3.582 -6.284 0.331 1.00 33.01 H new ATOM 0 HG23 VAL A 41 2.949 -4.900 1.253 1.00 33.01 H new ATOM 580 N TYR A 42 2.931 -9.541 2.397 1.00 70.14 N ATOM 581 CA TYR A 42 2.695 -10.755 1.622 1.00 11.04 C ATOM 582 C TYR A 42 1.193 -11.008 1.494 1.00 21.51 C ATOM 583 O TYR A 42 0.734 -11.672 0.560 1.00 70.13 O ATOM 584 CB TYR A 42 3.387 -11.956 2.288 1.00 10.00 C ATOM 585 CG TYR A 42 3.172 -13.275 1.561 1.00 50.01 C ATOM 586 CD1 TYR A 42 2.246 -14.208 2.026 1.00 23.31 C ATOM 587 CD2 TYR A 42 3.884 -13.582 0.406 1.00 30.00 C ATOM 588 CE1 TYR A 42 2.042 -15.402 1.363 1.00 62.31 C ATOM 589 CE2 TYR A 42 3.684 -14.776 -0.260 1.00 35.40 C ATOM 590 CZ TYR A 42 2.761 -15.681 0.221 1.00 44.25 C ATOM 591 OH TYR A 42 2.555 -16.869 -0.443 1.00 5.12 O ATOM 0 H TYR A 42 3.303 -9.707 3.332 1.00 70.14 H new ATOM 0 HA TYR A 42 3.115 -10.625 0.625 1.00 11.04 H new ATOM 0 HB2 TYR A 42 4.457 -11.757 2.350 1.00 10.00 H new ATOM 0 HB3 TYR A 42 3.021 -12.052 3.310 1.00 10.00 H new ATOM 0 HD1 TYR A 42 1.679 -13.993 2.920 1.00 23.31 H new ATOM 0 HD2 TYR A 42 4.605 -12.875 0.023 1.00 30.00 H new ATOM 0 HE1 TYR A 42 1.322 -16.114 1.738 1.00 62.31 H new ATOM 0 HE2 TYR A 42 4.248 -15.000 -1.153 1.00 35.40 H new ATOM 0 HH TYR A 42 3.140 -16.910 -1.229 1.00 5.12 H new ATOM 601 N GLY A 43 0.434 -10.469 2.446 1.00 11.11 N ATOM 602 CA GLY A 43 -1.007 -10.593 2.418 1.00 32.23 C ATOM 603 C GLY A 43 -1.615 -9.670 1.389 1.00 12.23 C ATOM 604 O GLY A 43 -2.053 -8.565 1.707 1.00 34.11 O ATOM 0 H GLY A 43 0.799 -9.945 3.241 1.00 11.11 H new ATOM 0 HA2 GLY A 43 -1.282 -11.624 2.193 1.00 32.23 H new ATOM 0 HA3 GLY A 43 -1.414 -10.362 3.403 1.00 32.23 H new ATOM 608 N LEU A 44 -1.609 -10.106 0.141 1.00 61.11 N ATOM 609 CA LEU A 44 -2.160 -9.314 -0.940 1.00 1.05 C ATOM 610 C LEU A 44 -3.115 -10.141 -1.791 1.00 41.50 C ATOM 611 O LEU A 44 -2.858 -11.311 -2.089 1.00 51.34 O ATOM 612 CB LEU A 44 -1.028 -8.693 -1.784 1.00 54.11 C ATOM 613 CG LEU A 44 0.038 -9.668 -2.337 1.00 0.14 C ATOM 614 CD1 LEU A 44 -0.441 -10.361 -3.611 1.00 61.05 C ATOM 615 CD2 LEU A 44 1.355 -8.935 -2.590 1.00 64.02 C ATOM 0 H LEU A 44 -1.227 -11.007 -0.147 1.00 61.11 H new ATOM 0 HA LEU A 44 -2.740 -8.496 -0.512 1.00 1.05 H new ATOM 0 HB2 LEU A 44 -1.479 -8.168 -2.626 1.00 54.11 H new ATOM 0 HB3 LEU A 44 -0.521 -7.943 -1.176 1.00 54.11 H new ATOM 0 HG LEU A 44 0.203 -10.438 -1.583 1.00 0.14 H new ATOM 0 HD11 LEU A 44 0.334 -11.038 -3.970 1.00 61.05 H new ATOM 0 HD12 LEU A 44 -1.348 -10.927 -3.398 1.00 61.05 H new ATOM 0 HD13 LEU A 44 -0.652 -9.613 -4.375 1.00 61.05 H new ATOM 0 HD21 LEU A 44 2.093 -9.637 -2.979 1.00 64.02 H new ATOM 0 HD22 LEU A 44 1.194 -8.138 -3.316 1.00 64.02 H new ATOM 0 HD23 LEU A 44 1.718 -8.507 -1.656 1.00 64.02 H new ATOM 627 N ASP A 45 -4.233 -9.521 -2.134 1.00 31.23 N ATOM 628 CA ASP A 45 -5.230 -10.089 -3.032 1.00 61.24 C ATOM 629 C ASP A 45 -5.618 -8.997 -4.018 1.00 30.54 C ATOM 630 O ASP A 45 -5.376 -7.826 -3.750 1.00 63.12 O ATOM 631 CB ASP A 45 -6.491 -10.548 -2.267 1.00 3.42 C ATOM 632 CG ASP A 45 -6.205 -11.460 -1.079 1.00 45.33 C ATOM 633 OD1 ASP A 45 -5.904 -12.654 -1.290 1.00 21.42 O ATOM 634 OD2 ASP A 45 -6.318 -10.991 0.079 1.00 60.15 O ATOM 0 H ASP A 45 -4.479 -8.592 -1.791 1.00 31.23 H new ATOM 0 HA ASP A 45 -4.813 -10.963 -3.532 1.00 61.24 H new ATOM 0 HB2 ASP A 45 -7.028 -9.668 -1.914 1.00 3.42 H new ATOM 0 HB3 ASP A 45 -7.153 -11.069 -2.959 1.00 3.42 H new ATOM 639 N VAL A 46 -6.193 -9.358 -5.153 1.00 0.32 N ATOM 640 CA VAL A 46 -6.710 -8.363 -6.098 1.00 40.22 C ATOM 641 C VAL A 46 -7.907 -8.939 -6.844 1.00 43.21 C ATOM 642 O VAL A 46 -7.801 -9.995 -7.468 1.00 52.24 O ATOM 643 CB VAL A 46 -5.649 -7.896 -7.141 1.00 12.12 C ATOM 644 CG1 VAL A 46 -6.257 -6.888 -8.119 1.00 13.44 C ATOM 645 CG2 VAL A 46 -4.407 -7.304 -6.473 1.00 10.50 C ATOM 0 H VAL A 46 -6.317 -10.327 -5.448 1.00 0.32 H new ATOM 0 HA VAL A 46 -6.994 -7.492 -5.507 1.00 40.22 H new ATOM 0 HB VAL A 46 -5.334 -8.781 -7.694 1.00 12.12 H new ATOM 0 HG11 VAL A 46 -5.499 -6.576 -8.838 1.00 13.44 H new ATOM 0 HG12 VAL A 46 -7.090 -7.351 -8.648 1.00 13.44 H new ATOM 0 HG13 VAL A 46 -6.616 -6.018 -7.569 1.00 13.44 H new ATOM 0 HG21 VAL A 46 -3.696 -6.993 -7.238 1.00 10.50 H new ATOM 0 HG22 VAL A 46 -4.694 -6.441 -5.871 1.00 10.50 H new ATOM 0 HG23 VAL A 46 -3.945 -8.056 -5.833 1.00 10.50 H new ATOM 655 N GLN A 47 -9.040 -8.253 -6.764 1.00 53.22 N ATOM 656 CA GLN A 47 -10.238 -8.660 -7.487 1.00 4.02 C ATOM 657 C GLN A 47 -10.368 -7.841 -8.770 1.00 71.02 C ATOM 658 O GLN A 47 -10.433 -6.607 -8.731 1.00 44.32 O ATOM 659 CB GLN A 47 -11.490 -8.504 -6.606 1.00 33.41 C ATOM 660 CG GLN A 47 -11.691 -7.100 -6.040 1.00 70.55 C ATOM 661 CD GLN A 47 -12.966 -6.972 -5.224 1.00 12.32 C ATOM 662 OE1 GLN A 47 -12.875 -7.229 -3.927 1.00 24.12 O flip ATOM 663 NE2 GLN A 47 -14.025 -6.646 -5.756 1.00 44.11 N flip ATOM 0 H GLN A 47 -9.154 -7.409 -6.203 1.00 53.22 H new ATOM 0 HA GLN A 47 -10.150 -9.714 -7.750 1.00 4.02 H new ATOM 0 HB2 GLN A 47 -12.368 -8.776 -7.192 1.00 33.41 H new ATOM 0 HB3 GLN A 47 -11.428 -9.211 -5.779 1.00 33.41 H new ATOM 0 HG2 GLN A 47 -10.837 -6.839 -5.415 1.00 70.55 H new ATOM 0 HG3 GLN A 47 -11.716 -6.383 -6.860 1.00 70.55 H new ATOM 0 HE21 GLN A 47 -14.055 -6.456 -6.758 1.00 44.11 H new ATOM 0 HE22 GLN A 47 -14.874 -6.565 -5.196 1.00 44.11 H new ATOM 672 N ASP A 48 -10.382 -8.525 -9.906 1.00 34.05 N ATOM 673 CA ASP A 48 -10.477 -7.859 -11.200 1.00 3.42 C ATOM 674 C ASP A 48 -11.940 -7.671 -11.586 1.00 64.30 C ATOM 675 O ASP A 48 -12.764 -8.569 -11.402 1.00 23.35 O ATOM 676 CB ASP A 48 -9.735 -8.657 -12.288 1.00 72.45 C ATOM 677 CG ASP A 48 -10.441 -9.951 -12.672 1.00 31.14 C ATOM 678 OD1 ASP A 48 -10.909 -10.066 -13.828 1.00 52.43 O ATOM 679 OD2 ASP A 48 -10.541 -10.858 -11.818 1.00 22.43 O ATOM 0 H ASP A 48 -10.329 -9.542 -9.959 1.00 34.05 H new ATOM 0 HA ASP A 48 -10.003 -6.881 -11.117 1.00 3.42 H new ATOM 0 HB2 ASP A 48 -9.626 -8.034 -13.175 1.00 72.45 H new ATOM 0 HB3 ASP A 48 -8.730 -8.890 -11.936 1.00 72.45 H new ATOM 684 N GLY A 49 -12.256 -6.491 -12.096 1.00 12.24 N ATOM 685 CA GLY A 49 -13.600 -6.190 -12.535 1.00 23.20 C ATOM 686 C GLY A 49 -13.576 -5.176 -13.650 1.00 54.43 C ATOM 687 O GLY A 49 -12.852 -4.185 -13.566 1.00 4.20 O ATOM 0 H GLY A 49 -11.592 -5.725 -12.214 1.00 12.24 H new ATOM 0 HA2 GLY A 49 -14.091 -7.102 -12.875 1.00 23.20 H new ATOM 0 HA3 GLY A 49 -14.185 -5.806 -11.699 1.00 23.20 H new ATOM 691 N ASP A 50 -14.350 -5.423 -14.696 1.00 12.51 N ATOM 692 CA ASP A 50 -14.377 -4.549 -15.869 1.00 33.35 C ATOM 693 C ASP A 50 -14.834 -3.146 -15.484 1.00 31.34 C ATOM 694 O ASP A 50 -14.501 -2.161 -16.151 1.00 40.23 O ATOM 695 CB ASP A 50 -15.299 -5.136 -16.947 1.00 62.33 C ATOM 696 CG ASP A 50 -14.908 -6.557 -17.319 1.00 13.24 C ATOM 697 OD1 ASP A 50 -15.452 -7.505 -16.712 1.00 75.43 O ATOM 698 OD2 ASP A 50 -14.038 -6.735 -18.199 1.00 23.20 O ATOM 0 H ASP A 50 -14.974 -6.227 -14.760 1.00 12.51 H new ATOM 0 HA ASP A 50 -13.367 -4.481 -16.272 1.00 33.35 H new ATOM 0 HB2 ASP A 50 -16.328 -5.125 -16.589 1.00 62.33 H new ATOM 0 HB3 ASP A 50 -15.264 -4.506 -17.836 1.00 62.33 H new ATOM 703 N GLU A 51 -15.597 -3.069 -14.401 1.00 71.31 N ATOM 704 CA GLU A 51 -16.050 -1.794 -13.860 1.00 32.41 C ATOM 705 C GLU A 51 -14.883 -1.077 -13.179 1.00 44.25 C ATOM 706 O GLU A 51 -14.779 0.150 -13.218 1.00 54.40 O ATOM 707 CB GLU A 51 -17.198 -1.997 -12.853 1.00 12.45 C ATOM 708 CG GLU A 51 -18.355 -2.860 -13.366 1.00 44.42 C ATOM 709 CD GLU A 51 -18.090 -4.356 -13.237 1.00 52.04 C ATOM 710 OE1 GLU A 51 -18.429 -4.933 -12.182 1.00 62.30 O ATOM 711 OE2 GLU A 51 -17.540 -4.962 -14.177 1.00 74.22 O ATOM 0 H GLU A 51 -15.917 -3.883 -13.876 1.00 71.31 H new ATOM 0 HA GLU A 51 -16.422 -1.185 -14.684 1.00 32.41 H new ATOM 0 HB2 GLU A 51 -16.794 -2.455 -11.950 1.00 12.45 H new ATOM 0 HB3 GLU A 51 -17.590 -1.021 -12.568 1.00 12.45 H new ATOM 0 HG2 GLU A 51 -19.260 -2.609 -12.813 1.00 44.42 H new ATOM 0 HG3 GLU A 51 -18.543 -2.620 -14.412 1.00 44.42 H new ATOM 718 N GLY A 52 -13.997 -1.864 -12.573 1.00 64.30 N ATOM 719 CA GLY A 52 -12.838 -1.324 -11.884 1.00 43.40 C ATOM 720 C GLY A 52 -12.073 -2.406 -11.145 1.00 53.53 C ATOM 721 O GLY A 52 -12.654 -3.136 -10.338 1.00 72.11 O ATOM 0 H GLY A 52 -14.064 -2.881 -12.548 1.00 64.30 H new ATOM 0 HA2 GLY A 52 -12.179 -0.839 -12.604 1.00 43.40 H new ATOM 0 HA3 GLY A 52 -13.158 -0.557 -11.178 1.00 43.40 H new ATOM 725 N THR A 53 -10.782 -2.532 -11.442 1.00 45.21 N ATOM 726 CA THR A 53 -9.927 -3.516 -10.788 1.00 40.22 C ATOM 727 C THR A 53 -9.536 -3.032 -9.390 1.00 22.11 C ATOM 728 O THR A 53 -8.874 -1.999 -9.249 1.00 10.11 O ATOM 729 CB THR A 53 -8.649 -3.773 -11.620 1.00 11.31 C ATOM 730 OG1 THR A 53 -9.003 -4.078 -12.979 1.00 52.04 O ATOM 731 CG2 THR A 53 -7.828 -4.923 -11.035 1.00 65.02 C ATOM 0 H THR A 53 -10.303 -1.959 -12.137 1.00 45.21 H new ATOM 0 HA THR A 53 -10.487 -4.448 -10.706 1.00 40.22 H new ATOM 0 HB THR A 53 -8.042 -2.868 -11.592 1.00 11.31 H new ATOM 0 HG1 THR A 53 -8.189 -4.238 -13.501 1.00 52.04 H new ATOM 0 HG21 THR A 53 -6.936 -5.079 -11.642 1.00 65.02 H new ATOM 0 HG22 THR A 53 -7.534 -4.678 -10.014 1.00 65.02 H new ATOM 0 HG23 THR A 53 -8.428 -5.833 -11.031 1.00 65.02 H new ATOM 739 N VAL A 54 -9.948 -3.774 -8.362 1.00 14.42 N ATOM 740 CA VAL A 54 -9.698 -3.383 -6.978 1.00 43.44 C ATOM 741 C VAL A 54 -8.639 -4.285 -6.338 1.00 35.33 C ATOM 742 O VAL A 54 -8.785 -5.508 -6.306 1.00 10.33 O ATOM 743 CB VAL A 54 -10.999 -3.439 -6.137 1.00 71.34 C ATOM 744 CG1 VAL A 54 -10.754 -2.935 -4.716 1.00 41.32 C ATOM 745 CG2 VAL A 54 -12.116 -2.645 -6.814 1.00 2.11 C ATOM 0 H VAL A 54 -10.458 -4.652 -8.464 1.00 14.42 H new ATOM 0 HA VAL A 54 -9.331 -2.357 -6.992 1.00 43.44 H new ATOM 0 HB VAL A 54 -11.315 -4.480 -6.072 1.00 71.34 H new ATOM 0 HG11 VAL A 54 -11.682 -2.985 -4.147 1.00 41.32 H new ATOM 0 HG12 VAL A 54 -10.000 -3.557 -4.234 1.00 41.32 H new ATOM 0 HG13 VAL A 54 -10.405 -1.903 -4.751 1.00 41.32 H new ATOM 0 HG21 VAL A 54 -13.020 -2.698 -6.207 1.00 2.11 H new ATOM 0 HG22 VAL A 54 -11.810 -1.604 -6.919 1.00 2.11 H new ATOM 0 HG23 VAL A 54 -12.316 -3.066 -7.799 1.00 2.11 H new ATOM 755 N ALA A 55 -7.574 -3.669 -5.831 1.00 2.14 N ATOM 756 CA ALA A 55 -6.490 -4.400 -5.173 1.00 54.53 C ATOM 757 C ALA A 55 -6.714 -4.431 -3.658 1.00 71.31 C ATOM 758 O ALA A 55 -6.824 -3.384 -3.021 1.00 11.03 O ATOM 759 CB ALA A 55 -5.151 -3.744 -5.489 1.00 11.33 C ATOM 0 H ALA A 55 -7.437 -2.659 -5.863 1.00 2.14 H new ATOM 0 HA ALA A 55 -6.481 -5.424 -5.547 1.00 54.53 H new ATOM 0 HB1 ALA A 55 -4.350 -4.295 -4.995 1.00 11.33 H new ATOM 0 HB2 ALA A 55 -4.987 -3.753 -6.566 1.00 11.33 H new ATOM 0 HB3 ALA A 55 -5.157 -2.714 -5.132 1.00 11.33 H new ATOM 765 N LEU A 56 -6.782 -5.633 -3.092 1.00 74.33 N ATOM 766 CA LEU A 56 -6.988 -5.814 -1.654 1.00 64.42 C ATOM 767 C LEU A 56 -5.639 -6.043 -0.965 1.00 61.32 C ATOM 768 O LEU A 56 -5.088 -7.140 -1.021 1.00 62.11 O ATOM 769 CB LEU A 56 -7.908 -7.022 -1.391 1.00 33.34 C ATOM 770 CG LEU A 56 -9.111 -7.169 -2.338 1.00 41.32 C ATOM 771 CD1 LEU A 56 -9.942 -8.391 -1.954 1.00 62.14 C ATOM 772 CD2 LEU A 56 -9.975 -5.908 -2.339 1.00 71.13 C ATOM 0 H LEU A 56 -6.697 -6.506 -3.612 1.00 74.33 H new ATOM 0 HA LEU A 56 -7.458 -4.916 -1.253 1.00 64.42 H new ATOM 0 HB2 LEU A 56 -7.309 -7.931 -1.452 1.00 33.34 H new ATOM 0 HB3 LEU A 56 -8.281 -6.954 -0.369 1.00 33.34 H new ATOM 0 HG LEU A 56 -8.729 -7.309 -3.349 1.00 41.32 H new ATOM 0 HD11 LEU A 56 -10.790 -8.482 -2.633 1.00 62.14 H new ATOM 0 HD12 LEU A 56 -9.325 -9.287 -2.022 1.00 62.14 H new ATOM 0 HD13 LEU A 56 -10.305 -8.277 -0.933 1.00 62.14 H new ATOM 0 HD21 LEU A 56 -10.817 -6.044 -3.018 1.00 71.13 H new ATOM 0 HD22 LEU A 56 -10.348 -5.722 -1.332 1.00 71.13 H new ATOM 0 HD23 LEU A 56 -9.377 -5.058 -2.668 1.00 71.13 H new ATOM 784 N ILE A 57 -5.112 -5.015 -0.319 1.00 55.15 N ATOM 785 CA ILE A 57 -3.793 -5.087 0.314 1.00 42.53 C ATOM 786 C ILE A 57 -3.925 -5.108 1.835 1.00 22.43 C ATOM 787 O ILE A 57 -4.559 -4.221 2.417 1.00 4.51 O ATOM 788 CB ILE A 57 -2.906 -3.885 -0.107 1.00 42.30 C ATOM 789 CG1 ILE A 57 -2.811 -3.801 -1.641 1.00 3.41 C ATOM 790 CG2 ILE A 57 -1.510 -3.995 0.515 1.00 24.12 C ATOM 791 CD1 ILE A 57 -2.018 -2.611 -2.142 1.00 2.23 C ATOM 0 H ILE A 57 -5.577 -4.113 -0.216 1.00 55.15 H new ATOM 0 HA ILE A 57 -3.319 -6.010 -0.020 1.00 42.53 H new ATOM 0 HB ILE A 57 -3.370 -2.970 0.262 1.00 42.30 H new ATOM 0 HG12 ILE A 57 -2.353 -4.715 -2.018 1.00 3.41 H new ATOM 0 HG13 ILE A 57 -3.818 -3.755 -2.056 1.00 3.41 H new ATOM 0 HG21 ILE A 57 -0.906 -3.142 0.206 1.00 24.12 H new ATOM 0 HG22 ILE A 57 -1.596 -4.005 1.602 1.00 24.12 H new ATOM 0 HG23 ILE A 57 -1.034 -4.917 0.180 1.00 24.12 H new ATOM 0 HD11 ILE A 57 -1.996 -2.621 -3.232 1.00 2.23 H new ATOM 0 HD12 ILE A 57 -2.487 -1.690 -1.797 1.00 2.23 H new ATOM 0 HD13 ILE A 57 -0.999 -2.665 -1.758 1.00 2.23 H new ATOM 803 N ASP A 58 -3.339 -6.122 2.475 1.00 75.13 N ATOM 804 CA ASP A 58 -3.376 -6.239 3.933 1.00 51.01 C ATOM 805 C ASP A 58 -2.249 -5.424 4.552 1.00 63.40 C ATOM 806 O ASP A 58 -1.071 -5.672 4.288 1.00 61.22 O ATOM 807 CB ASP A 58 -3.272 -7.710 4.375 1.00 13.31 C ATOM 808 CG ASP A 58 -4.466 -8.538 3.921 1.00 50.33 C ATOM 809 OD1 ASP A 58 -4.277 -9.660 3.399 1.00 32.12 O ATOM 810 OD2 ASP A 58 -5.609 -8.066 4.079 1.00 63.34 O ATOM 0 H ASP A 58 -2.833 -6.874 2.006 1.00 75.13 H new ATOM 0 HA ASP A 58 -4.332 -5.848 4.281 1.00 51.01 H new ATOM 0 HB2 ASP A 58 -2.357 -8.144 3.971 1.00 13.31 H new ATOM 0 HB3 ASP A 58 -3.194 -7.756 5.461 1.00 13.31 H new ATOM 815 N MET A 59 -2.616 -4.442 5.368 1.00 13.04 N ATOM 816 CA MET A 59 -1.647 -3.544 5.991 1.00 22.42 C ATOM 817 C MET A 59 -2.040 -3.229 7.429 1.00 50.15 C ATOM 818 O MET A 59 -3.129 -3.585 7.891 1.00 52.14 O ATOM 819 CB MET A 59 -1.518 -2.228 5.205 1.00 53.14 C ATOM 820 CG MET A 59 -0.774 -2.344 3.878 1.00 13.45 C ATOM 821 SD MET A 59 -0.548 -0.740 3.076 1.00 20.40 S ATOM 822 CE MET A 59 0.314 0.176 4.358 1.00 41.03 C ATOM 0 H MET A 59 -3.586 -4.246 5.616 1.00 13.04 H new ATOM 0 HA MET A 59 -0.686 -4.058 5.984 1.00 22.42 H new ATOM 0 HB2 MET A 59 -2.517 -1.837 5.012 1.00 53.14 H new ATOM 0 HB3 MET A 59 -1.005 -1.497 5.830 1.00 53.14 H new ATOM 0 HG2 MET A 59 0.200 -2.803 4.049 1.00 13.45 H new ATOM 0 HG3 MET A 59 -1.326 -3.007 3.211 1.00 13.45 H new ATOM 0 HE1 MET A 59 0.615 1.149 3.970 1.00 41.03 H new ATOM 0 HE2 MET A 59 -0.348 0.315 5.213 1.00 41.03 H new ATOM 0 HE3 MET A 59 1.198 -0.380 4.670 1.00 41.03 H new ATOM 832 N THR A 60 -1.124 -2.577 8.129 1.00 51.33 N ATOM 833 CA THR A 60 -1.373 -2.067 9.462 1.00 65.03 C ATOM 834 C THR A 60 -0.398 -0.930 9.746 1.00 23.51 C ATOM 835 O THR A 60 0.452 -0.616 8.909 1.00 22.31 O ATOM 836 CB THR A 60 -1.229 -3.171 10.540 1.00 1.54 C ATOM 837 OG1 THR A 60 -1.662 -2.672 11.813 1.00 3.52 O ATOM 838 CG2 THR A 60 0.214 -3.662 10.646 1.00 52.45 C ATOM 0 H THR A 60 -0.183 -2.388 7.783 1.00 51.33 H new ATOM 0 HA THR A 60 -2.400 -1.705 9.505 1.00 65.03 H new ATOM 0 HB THR A 60 -1.855 -4.012 10.242 1.00 1.54 H new ATOM 0 HG1 THR A 60 -2.441 -3.183 12.117 1.00 3.52 H new ATOM 0 HG21 THR A 60 0.280 -4.436 11.411 1.00 52.45 H new ATOM 0 HG22 THR A 60 0.530 -4.072 9.687 1.00 52.45 H new ATOM 0 HG23 THR A 60 0.863 -2.829 10.916 1.00 52.45 H new ATOM 846 N LEU A 61 -0.525 -0.314 10.911 1.00 63.33 N ATOM 847 CA LEU A 61 0.368 0.765 11.312 1.00 11.25 C ATOM 848 C LEU A 61 1.292 0.269 12.420 1.00 14.41 C ATOM 849 O LEU A 61 1.005 -0.747 13.052 1.00 70.34 O ATOM 850 CB LEU A 61 -0.425 2.001 11.783 1.00 2.42 C ATOM 851 CG LEU A 61 -1.323 2.678 10.722 1.00 4.13 C ATOM 852 CD1 LEU A 61 -0.556 2.906 9.417 1.00 61.44 C ATOM 853 CD2 LEU A 61 -2.594 1.868 10.471 1.00 43.10 C ATOM 0 H LEU A 61 -1.242 -0.544 11.600 1.00 63.33 H new ATOM 0 HA LEU A 61 0.963 1.066 10.450 1.00 11.25 H new ATOM 0 HB2 LEU A 61 -1.051 1.706 12.625 1.00 2.42 H new ATOM 0 HB3 LEU A 61 0.283 2.741 12.156 1.00 2.42 H new ATOM 0 HG LEU A 61 -1.620 3.651 11.114 1.00 4.13 H new ATOM 0 HD11 LEU A 61 -1.211 3.383 8.688 1.00 61.44 H new ATOM 0 HD12 LEU A 61 0.304 3.549 9.608 1.00 61.44 H new ATOM 0 HD13 LEU A 61 -0.213 1.949 9.024 1.00 61.44 H new ATOM 0 HD21 LEU A 61 -3.204 2.371 9.720 1.00 43.10 H new ATOM 0 HD22 LEU A 61 -2.327 0.873 10.115 1.00 43.10 H new ATOM 0 HD23 LEU A 61 -3.159 1.781 11.399 1.00 43.10 H new ATOM 865 N THR A 62 2.379 0.997 12.656 1.00 4.25 N ATOM 866 CA THR A 62 3.393 0.606 13.637 1.00 52.31 C ATOM 867 C THR A 62 2.769 0.192 14.974 1.00 41.34 C ATOM 868 O THR A 62 2.986 -0.922 15.453 1.00 73.40 O ATOM 869 CB THR A 62 4.394 1.760 13.863 1.00 1.34 C ATOM 870 OG1 THR A 62 3.675 2.980 14.110 1.00 42.33 O ATOM 871 CG2 THR A 62 5.306 1.940 12.652 1.00 4.41 C ATOM 0 H THR A 62 2.584 1.873 12.175 1.00 4.25 H new ATOM 0 HA THR A 62 3.918 -0.259 13.232 1.00 52.31 H new ATOM 0 HB THR A 62 5.013 1.514 14.726 1.00 1.34 H new ATOM 0 HG1 THR A 62 4.311 3.711 14.255 1.00 42.33 H new ATOM 0 HG21 THR A 62 6.001 2.759 12.838 1.00 4.41 H new ATOM 0 HG22 THR A 62 5.866 1.021 12.479 1.00 4.41 H new ATOM 0 HG23 THR A 62 4.703 2.168 11.773 1.00 4.41 H new ATOM 879 N SER A 63 2.001 1.097 15.573 1.00 13.22 N ATOM 880 CA SER A 63 1.311 0.811 16.829 1.00 21.54 C ATOM 881 C SER A 63 -0.141 0.387 16.575 1.00 5.54 C ATOM 882 O SER A 63 -0.818 -0.113 17.473 1.00 53.35 O ATOM 883 CB SER A 63 1.364 2.045 17.731 1.00 63.01 C ATOM 884 OG SER A 63 2.706 2.475 17.921 1.00 31.05 O ATOM 0 H SER A 63 1.840 2.036 15.209 1.00 13.22 H new ATOM 0 HA SER A 63 1.814 -0.019 17.326 1.00 21.54 H new ATOM 0 HB2 SER A 63 0.779 2.851 17.287 1.00 63.01 H new ATOM 0 HB3 SER A 63 0.911 1.816 18.695 1.00 63.01 H new ATOM 0 HG SER A 63 2.717 3.266 18.499 1.00 31.05 H new ATOM 890 N ALA A 64 -0.608 0.617 15.344 1.00 33.32 N ATOM 891 CA ALA A 64 -1.952 0.214 14.907 1.00 1.53 C ATOM 892 C ALA A 64 -3.071 0.922 15.686 1.00 5.22 C ATOM 893 O ALA A 64 -4.246 0.583 15.531 1.00 53.21 O ATOM 894 CB ALA A 64 -2.114 -1.301 15.004 1.00 3.45 C ATOM 0 H ALA A 64 -0.066 1.088 14.620 1.00 33.32 H new ATOM 0 HA ALA A 64 -2.048 0.523 13.866 1.00 1.53 H new ATOM 0 HB1 ALA A 64 -3.115 -1.582 14.677 1.00 3.45 H new ATOM 0 HB2 ALA A 64 -1.374 -1.787 14.368 1.00 3.45 H new ATOM 0 HB3 ALA A 64 -1.968 -1.617 16.037 1.00 3.45 H new ATOM 900 N ALA A 65 -2.712 1.913 16.500 1.00 33.02 N ATOM 901 CA ALA A 65 -3.693 2.668 17.286 1.00 23.43 C ATOM 902 C ALA A 65 -3.702 4.137 16.862 1.00 33.01 C ATOM 903 O ALA A 65 -4.327 4.981 17.507 1.00 14.21 O ATOM 904 CB ALA A 65 -3.389 2.536 18.777 1.00 53.23 C ATOM 0 H ALA A 65 -1.747 2.214 16.634 1.00 33.02 H new ATOM 0 HA ALA A 65 -4.684 2.255 17.099 1.00 23.43 H new ATOM 0 HB1 ALA A 65 -4.124 3.101 19.350 1.00 53.23 H new ATOM 0 HB2 ALA A 65 -3.433 1.486 19.066 1.00 53.23 H new ATOM 0 HB3 ALA A 65 -2.392 2.927 18.981 1.00 53.23 H new ATOM 910 N CYS A 66 -3.006 4.429 15.768 1.00 22.43 N ATOM 911 CA CYS A 66 -2.900 5.785 15.251 1.00 24.11 C ATOM 912 C CYS A 66 -3.468 5.844 13.832 1.00 15.15 C ATOM 913 O CYS A 66 -3.043 5.079 12.960 1.00 31.23 O ATOM 914 CB CYS A 66 -1.432 6.236 15.257 1.00 11.51 C ATOM 915 SG CYS A 66 -1.169 7.948 14.744 1.00 32.03 S ATOM 0 H CYS A 66 -2.502 3.734 15.218 1.00 22.43 H new ATOM 0 HA CYS A 66 -3.474 6.458 15.889 1.00 24.11 H new ATOM 0 HB2 CYS A 66 -1.030 6.106 16.262 1.00 11.51 H new ATOM 0 HB3 CYS A 66 -0.862 5.581 14.598 1.00 11.51 H new ATOM 0 HG CYS A 66 0.101 8.224 14.788 1.00 32.03 H new ATOM 921 N PRO A 67 -4.448 6.737 13.587 1.00 72.23 N ATOM 922 CA PRO A 67 -5.074 6.883 12.271 1.00 65.43 C ATOM 923 C PRO A 67 -4.139 7.549 11.260 1.00 55.55 C ATOM 924 O PRO A 67 -4.175 8.764 11.055 1.00 34.05 O ATOM 925 CB PRO A 67 -6.306 7.753 12.553 1.00 73.34 C ATOM 926 CG PRO A 67 -5.934 8.552 13.756 1.00 31.45 C ATOM 927 CD PRO A 67 -5.028 7.670 14.578 1.00 53.34 C ATOM 0 HA PRO A 67 -5.325 5.922 11.822 1.00 65.43 H new ATOM 0 HB2 PRO A 67 -6.539 8.398 11.705 1.00 73.34 H new ATOM 0 HB3 PRO A 67 -7.189 7.142 12.740 1.00 73.34 H new ATOM 0 HG2 PRO A 67 -5.427 9.474 13.471 1.00 31.45 H new ATOM 0 HG3 PRO A 67 -6.820 8.838 14.323 1.00 31.45 H new ATOM 0 HD2 PRO A 67 -4.255 8.250 15.082 1.00 53.34 H new ATOM 0 HD3 PRO A 67 -5.582 7.138 15.352 1.00 53.34 H new ATOM 935 N LEU A 68 -3.271 6.742 10.665 1.00 11.42 N ATOM 936 CA LEU A 68 -2.389 7.195 9.591 1.00 62.42 C ATOM 937 C LEU A 68 -2.883 6.615 8.262 1.00 15.20 C ATOM 938 O LEU A 68 -2.233 6.746 7.211 1.00 1.33 O ATOM 939 CB LEU A 68 -0.945 6.746 9.880 1.00 64.41 C ATOM 940 CG LEU A 68 0.140 7.359 8.978 1.00 41.24 C ATOM 941 CD1 LEU A 68 0.226 8.872 9.180 1.00 21.12 C ATOM 942 CD2 LEU A 68 1.494 6.699 9.230 1.00 54.20 C ATOM 0 H LEU A 68 -3.156 5.758 10.910 1.00 11.42 H new ATOM 0 HA LEU A 68 -2.402 8.283 9.530 1.00 62.42 H new ATOM 0 HB2 LEU A 68 -0.709 6.989 10.916 1.00 64.41 H new ATOM 0 HB3 LEU A 68 -0.897 5.661 9.788 1.00 64.41 H new ATOM 0 HG LEU A 68 -0.139 7.172 7.941 1.00 41.24 H new ATOM 0 HD11 LEU A 68 1.000 9.282 8.531 1.00 21.12 H new ATOM 0 HD12 LEU A 68 -0.733 9.327 8.933 1.00 21.12 H new ATOM 0 HD13 LEU A 68 0.472 9.087 10.220 1.00 21.12 H new ATOM 0 HD21 LEU A 68 2.245 7.149 8.581 1.00 54.20 H new ATOM 0 HD22 LEU A 68 1.781 6.844 10.271 1.00 54.20 H new ATOM 0 HD23 LEU A 68 1.424 5.632 9.018 1.00 54.20 H new ATOM 954 N THR A 69 -4.060 5.991 8.315 1.00 5.30 N ATOM 955 CA THR A 69 -4.603 5.284 7.170 1.00 33.02 C ATOM 956 C THR A 69 -4.885 6.235 6.014 1.00 60.14 C ATOM 957 O THR A 69 -4.612 5.905 4.869 1.00 45.52 O ATOM 958 CB THR A 69 -5.878 4.479 7.517 1.00 63.42 C ATOM 959 OG1 THR A 69 -6.338 3.790 6.354 1.00 33.52 O ATOM 960 CG2 THR A 69 -6.990 5.370 8.051 1.00 2.34 C ATOM 0 H THR A 69 -4.653 5.965 9.145 1.00 5.30 H new ATOM 0 HA THR A 69 -3.838 4.571 6.863 1.00 33.02 H new ATOM 0 HB THR A 69 -5.617 3.768 8.301 1.00 63.42 H new ATOM 0 HG1 THR A 69 -6.836 2.990 6.623 1.00 33.52 H new ATOM 0 HG21 THR A 69 -7.865 4.762 8.281 1.00 2.34 H new ATOM 0 HG22 THR A 69 -6.650 5.873 8.956 1.00 2.34 H new ATOM 0 HG23 THR A 69 -7.253 6.114 7.299 1.00 2.34 H new ATOM 968 N ASP A 70 -5.398 7.426 6.312 1.00 41.32 N ATOM 969 CA ASP A 70 -5.674 8.414 5.270 1.00 11.22 C ATOM 970 C ASP A 70 -4.414 8.678 4.446 1.00 64.34 C ATOM 971 O ASP A 70 -4.451 8.707 3.210 1.00 0.20 O ATOM 972 CB ASP A 70 -6.181 9.726 5.880 1.00 11.14 C ATOM 973 CG ASP A 70 -6.401 10.798 4.824 1.00 23.13 C ATOM 974 OD1 ASP A 70 -7.441 10.756 4.135 1.00 32.52 O ATOM 975 OD2 ASP A 70 -5.533 11.685 4.669 1.00 43.42 O ATOM 0 H ASP A 70 -5.630 7.730 7.258 1.00 41.32 H new ATOM 0 HA ASP A 70 -6.451 8.012 4.619 1.00 11.22 H new ATOM 0 HB2 ASP A 70 -7.116 9.542 6.410 1.00 11.14 H new ATOM 0 HB3 ASP A 70 -5.462 10.085 6.617 1.00 11.14 H new ATOM 980 N VAL A 71 -3.295 8.837 5.148 1.00 42.35 N ATOM 981 CA VAL A 71 -2.016 9.111 4.511 1.00 31.15 C ATOM 982 C VAL A 71 -1.557 7.915 3.680 1.00 0.45 C ATOM 983 O VAL A 71 -1.238 8.060 2.497 1.00 10.21 O ATOM 984 CB VAL A 71 -0.929 9.466 5.554 1.00 31.24 C ATOM 985 CG1 VAL A 71 0.411 9.753 4.874 1.00 64.32 C ATOM 986 CG2 VAL A 71 -1.376 10.655 6.407 1.00 62.34 C ATOM 0 H VAL A 71 -3.252 8.780 6.165 1.00 42.35 H new ATOM 0 HA VAL A 71 -2.159 9.969 3.855 1.00 31.15 H new ATOM 0 HB VAL A 71 -0.790 8.606 6.210 1.00 31.24 H new ATOM 0 HG11 VAL A 71 1.157 10.000 5.630 1.00 64.32 H new ATOM 0 HG12 VAL A 71 0.734 8.872 4.320 1.00 64.32 H new ATOM 0 HG13 VAL A 71 0.298 10.592 4.188 1.00 64.32 H new ATOM 0 HG21 VAL A 71 -0.601 10.892 7.136 1.00 62.34 H new ATOM 0 HG22 VAL A 71 -1.547 11.519 5.765 1.00 62.34 H new ATOM 0 HG23 VAL A 71 -2.299 10.402 6.929 1.00 62.34 H new ATOM 996 N ILE A 72 -1.536 6.729 4.292 1.00 43.32 N ATOM 997 CA ILE A 72 -1.082 5.529 3.583 1.00 45.14 C ATOM 998 C ILE A 72 -1.990 5.218 2.389 1.00 61.14 C ATOM 999 O ILE A 72 -1.520 4.741 1.353 1.00 21.11 O ATOM 1000 CB ILE A 72 -0.976 4.289 4.502 1.00 62.10 C ATOM 1001 CG1 ILE A 72 -2.359 3.810 4.952 1.00 65.53 C ATOM 1002 CG2 ILE A 72 -0.092 4.598 5.712 1.00 72.23 C ATOM 1003 CD1 ILE A 72 -2.311 2.547 5.771 1.00 32.00 C ATOM 0 H ILE A 72 -1.822 6.574 5.259 1.00 43.32 H new ATOM 0 HA ILE A 72 -0.078 5.753 3.224 1.00 45.14 H new ATOM 0 HB ILE A 72 -0.516 3.483 3.930 1.00 62.10 H new ATOM 0 HG12 ILE A 72 -2.837 4.597 5.536 1.00 65.53 H new ATOM 0 HG13 ILE A 72 -2.982 3.642 4.074 1.00 65.53 H new ATOM 0 HG21 ILE A 72 -0.027 3.716 6.350 1.00 72.23 H new ATOM 0 HG22 ILE A 72 0.906 4.875 5.372 1.00 72.23 H new ATOM 0 HG23 ILE A 72 -0.525 5.423 6.277 1.00 72.23 H new ATOM 0 HD11 ILE A 72 -3.323 2.261 6.058 1.00 32.00 H new ATOM 0 HD12 ILE A 72 -1.862 1.748 5.181 1.00 32.00 H new ATOM 0 HD13 ILE A 72 -1.714 2.717 6.667 1.00 32.00 H new ATOM 1015 N GLU A 73 -3.284 5.516 2.532 1.00 62.23 N ATOM 1016 CA GLU A 73 -4.253 5.315 1.457 1.00 51.21 C ATOM 1017 C GLU A 73 -3.979 6.282 0.314 1.00 3.41 C ATOM 1018 O GLU A 73 -3.994 5.895 -0.852 1.00 13.35 O ATOM 1019 CB GLU A 73 -5.701 5.503 1.954 1.00 21.00 C ATOM 1020 CG GLU A 73 -6.207 4.382 2.855 1.00 5.12 C ATOM 1021 CD GLU A 73 -7.656 4.579 3.281 1.00 55.34 C ATOM 1022 OE1 GLU A 73 -7.901 5.223 4.329 1.00 70.25 O ATOM 1023 OE2 GLU A 73 -8.564 4.098 2.564 1.00 24.41 O ATOM 0 H GLU A 73 -3.684 5.900 3.388 1.00 62.23 H new ATOM 0 HA GLU A 73 -4.143 4.289 1.105 1.00 51.21 H new ATOM 0 HB2 GLU A 73 -5.767 6.446 2.496 1.00 21.00 H new ATOM 0 HB3 GLU A 73 -6.361 5.585 1.090 1.00 21.00 H new ATOM 0 HG2 GLU A 73 -6.113 3.430 2.332 1.00 5.12 H new ATOM 0 HG3 GLU A 73 -5.577 4.322 3.742 1.00 5.12 H new ATOM 1030 N ASP A 74 -3.717 7.540 0.655 1.00 65.54 N ATOM 1031 CA ASP A 74 -3.489 8.571 -0.357 1.00 73.04 C ATOM 1032 C ASP A 74 -2.221 8.267 -1.151 1.00 41.33 C ATOM 1033 O ASP A 74 -2.212 8.357 -2.378 1.00 71.24 O ATOM 1034 CB ASP A 74 -3.397 9.959 0.288 1.00 22.04 C ATOM 1035 CG ASP A 74 -3.391 11.077 -0.747 1.00 60.52 C ATOM 1036 OD1 ASP A 74 -2.333 11.697 -0.966 1.00 70.22 O ATOM 1037 OD2 ASP A 74 -4.458 11.340 -1.350 1.00 52.23 O ATOM 0 H ASP A 74 -3.657 7.871 1.618 1.00 65.54 H new ATOM 0 HA ASP A 74 -4.337 8.570 -1.041 1.00 73.04 H new ATOM 0 HB2 ASP A 74 -4.239 10.099 0.966 1.00 22.04 H new ATOM 0 HB3 ASP A 74 -2.490 10.019 0.889 1.00 22.04 H new ATOM 1042 N GLN A 75 -1.159 7.881 -0.444 1.00 73.43 N ATOM 1043 CA GLN A 75 0.110 7.530 -1.087 1.00 71.42 C ATOM 1044 C GLN A 75 -0.051 6.281 -1.957 1.00 13.12 C ATOM 1045 O GLN A 75 0.406 6.247 -3.103 1.00 15.21 O ATOM 1046 CB GLN A 75 1.211 7.302 -0.041 1.00 61.10 C ATOM 1047 CG GLN A 75 1.539 8.537 0.790 1.00 14.20 C ATOM 1048 CD GLN A 75 2.725 8.333 1.722 1.00 11.22 C ATOM 1049 OE1 GLN A 75 2.911 7.110 2.196 1.00 73.32 O flip ATOM 1050 NE2 GLN A 75 3.462 9.275 2.022 1.00 75.54 N flip ATOM 0 H GLN A 75 -1.151 7.803 0.573 1.00 73.43 H new ATOM 0 HA GLN A 75 0.403 8.366 -1.723 1.00 71.42 H new ATOM 0 HB2 GLN A 75 0.903 6.498 0.627 1.00 61.10 H new ATOM 0 HB3 GLN A 75 2.116 6.966 -0.548 1.00 61.10 H new ATOM 0 HG2 GLN A 75 1.750 9.372 0.121 1.00 14.20 H new ATOM 0 HG3 GLN A 75 0.665 8.813 1.380 1.00 14.20 H new ATOM 0 HE21 GLN A 75 3.286 10.203 1.636 1.00 75.54 H new ATOM 0 HE22 GLN A 75 4.247 9.126 2.656 1.00 75.54 H new ATOM 1059 N SER A 76 -0.708 5.262 -1.403 1.00 24.42 N ATOM 1060 CA SER A 76 -0.955 4.017 -2.124 1.00 12.02 C ATOM 1061 C SER A 76 -1.753 4.301 -3.397 1.00 21.34 C ATOM 1062 O SER A 76 -1.336 3.944 -4.503 1.00 33.21 O ATOM 1063 CB SER A 76 -1.709 3.025 -1.223 1.00 22.22 C ATOM 1064 OG SER A 76 -1.902 1.779 -1.867 1.00 52.14 O ATOM 0 H SER A 76 -1.079 5.276 -0.453 1.00 24.42 H new ATOM 0 HA SER A 76 -0.000 3.571 -2.404 1.00 12.02 H new ATOM 0 HB2 SER A 76 -1.151 2.875 -0.299 1.00 22.22 H new ATOM 0 HB3 SER A 76 -2.676 3.446 -0.947 1.00 22.22 H new ATOM 0 HG SER A 76 -2.382 1.171 -1.267 1.00 52.14 H new ATOM 1070 N ARG A 77 -2.886 4.978 -3.227 1.00 65.33 N ATOM 1071 CA ARG A 77 -3.739 5.367 -4.344 1.00 22.02 C ATOM 1072 C ARG A 77 -2.939 6.159 -5.373 1.00 13.33 C ATOM 1073 O ARG A 77 -3.042 5.914 -6.574 1.00 40.42 O ATOM 1074 CB ARG A 77 -4.913 6.222 -3.842 1.00 73.04 C ATOM 1075 CG ARG A 77 -5.837 6.718 -4.952 1.00 14.21 C ATOM 1076 CD ARG A 77 -6.795 7.799 -4.458 1.00 60.40 C ATOM 1077 NE ARG A 77 -6.076 8.951 -3.899 1.00 31.43 N ATOM 1078 CZ ARG A 77 -5.445 9.876 -4.630 1.00 43.21 C ATOM 1079 NH1 ARG A 77 -5.465 9.812 -5.960 1.00 14.42 N ATOM 1080 NH2 ARG A 77 -4.798 10.865 -4.029 1.00 72.12 N ATOM 0 H ARG A 77 -3.236 5.271 -2.315 1.00 65.33 H new ATOM 0 HA ARG A 77 -4.126 4.462 -4.812 1.00 22.02 H new ATOM 0 HB2 ARG A 77 -5.497 5.638 -3.131 1.00 73.04 H new ATOM 0 HB3 ARG A 77 -4.518 7.082 -3.300 1.00 73.04 H new ATOM 0 HG2 ARG A 77 -5.238 7.112 -5.773 1.00 14.21 H new ATOM 0 HG3 ARG A 77 -6.410 5.880 -5.349 1.00 14.21 H new ATOM 0 HD2 ARG A 77 -7.426 8.130 -5.283 1.00 60.40 H new ATOM 0 HD3 ARG A 77 -7.456 7.380 -3.699 1.00 60.40 H new ATOM 0 HE ARG A 77 -6.057 9.052 -2.884 1.00 31.43 H new ATOM 0 HH11 ARG A 77 -5.964 9.054 -6.427 1.00 14.42 H new ATOM 0 HH12 ARG A 77 -4.982 10.521 -6.512 1.00 14.42 H new ATOM 0 HH21 ARG A 77 -4.782 10.919 -3.011 1.00 72.12 H new ATOM 0 HH22 ARG A 77 -4.316 11.571 -4.585 1.00 72.12 H new ATOM 1094 N SER A 78 -2.124 7.090 -4.882 1.00 1.24 N ATOM 1095 CA SER A 78 -1.381 8.000 -5.741 1.00 32.11 C ATOM 1096 C SER A 78 -0.574 7.235 -6.787 1.00 12.52 C ATOM 1097 O SER A 78 -0.698 7.493 -7.986 1.00 63.31 O ATOM 1098 CB SER A 78 -0.452 8.888 -4.893 1.00 65.10 C ATOM 1099 OG SER A 78 0.218 9.853 -5.689 1.00 71.12 O ATOM 0 H SER A 78 -1.963 7.232 -3.885 1.00 1.24 H new ATOM 0 HA SER A 78 -2.097 8.633 -6.266 1.00 32.11 H new ATOM 0 HB2 SER A 78 -1.034 9.392 -4.122 1.00 65.10 H new ATOM 0 HB3 SER A 78 0.282 8.264 -4.382 1.00 65.10 H new ATOM 0 HG SER A 78 0.798 10.401 -5.120 1.00 71.12 H new ATOM 1105 N ALA A 79 0.246 6.286 -6.342 1.00 14.33 N ATOM 1106 CA ALA A 79 1.082 5.534 -7.270 1.00 70.20 C ATOM 1107 C ALA A 79 0.264 4.501 -8.050 1.00 74.01 C ATOM 1108 O ALA A 79 0.205 4.547 -9.283 1.00 42.12 O ATOM 1109 CB ALA A 79 2.218 4.857 -6.508 1.00 74.43 C ATOM 0 H ALA A 79 0.348 6.023 -5.362 1.00 14.33 H new ATOM 0 HA ALA A 79 1.502 6.231 -7.995 1.00 70.20 H new ATOM 0 HB1 ALA A 79 2.840 4.296 -7.205 1.00 74.43 H new ATOM 0 HB2 ALA A 79 2.823 5.614 -6.009 1.00 74.43 H new ATOM 0 HB3 ALA A 79 1.803 4.177 -5.764 1.00 74.43 H new ATOM 1115 N LEU A 80 -0.483 3.669 -7.323 1.00 72.32 N ATOM 1116 CA LEU A 80 -1.141 2.502 -7.919 1.00 5.10 C ATOM 1117 C LEU A 80 -2.116 2.918 -9.016 1.00 24.40 C ATOM 1118 O LEU A 80 -2.189 2.288 -10.076 1.00 11.34 O ATOM 1119 CB LEU A 80 -1.869 1.680 -6.842 1.00 31.53 C ATOM 1120 CG LEU A 80 -0.960 1.055 -5.764 1.00 43.51 C ATOM 1121 CD1 LEU A 80 -1.788 0.286 -4.737 1.00 73.33 C ATOM 1122 CD2 LEU A 80 0.091 0.147 -6.400 1.00 74.12 C ATOM 0 H LEU A 80 -0.648 3.780 -6.323 1.00 72.32 H new ATOM 0 HA LEU A 80 -0.368 1.880 -8.370 1.00 5.10 H new ATOM 0 HB2 LEU A 80 -2.600 2.322 -6.350 1.00 31.53 H new ATOM 0 HB3 LEU A 80 -2.426 0.881 -7.332 1.00 31.53 H new ATOM 0 HG LEU A 80 -0.442 1.863 -5.247 1.00 43.51 H new ATOM 0 HD11 LEU A 80 -1.126 -0.146 -3.986 1.00 73.33 H new ATOM 0 HD12 LEU A 80 -2.490 0.965 -4.254 1.00 73.33 H new ATOM 0 HD13 LEU A 80 -2.339 -0.511 -5.237 1.00 73.33 H new ATOM 0 HD21 LEU A 80 0.720 -0.282 -5.621 1.00 74.12 H new ATOM 0 HD22 LEU A 80 -0.404 -0.654 -6.949 1.00 74.12 H new ATOM 0 HD23 LEU A 80 0.708 0.729 -7.085 1.00 74.12 H new ATOM 1134 N VAL A 81 -2.844 3.987 -8.755 1.00 2.23 N ATOM 1135 CA VAL A 81 -3.788 4.535 -9.714 1.00 43.45 C ATOM 1136 C VAL A 81 -3.052 5.379 -10.756 1.00 62.31 C ATOM 1137 O VAL A 81 -3.491 5.490 -11.906 1.00 12.02 O ATOM 1138 CB VAL A 81 -4.883 5.377 -9.006 1.00 74.04 C ATOM 1139 CG1 VAL A 81 -5.895 5.929 -10.008 1.00 23.35 C ATOM 1140 CG2 VAL A 81 -5.586 4.548 -7.931 1.00 23.10 C ATOM 0 H VAL A 81 -2.799 4.500 -7.875 1.00 2.23 H new ATOM 0 HA VAL A 81 -4.281 3.704 -10.218 1.00 43.45 H new ATOM 0 HB VAL A 81 -4.394 6.225 -8.527 1.00 74.04 H new ATOM 0 HG11 VAL A 81 -6.648 6.514 -9.480 1.00 23.35 H new ATOM 0 HG12 VAL A 81 -5.383 6.565 -10.730 1.00 23.35 H new ATOM 0 HG13 VAL A 81 -6.378 5.103 -10.530 1.00 23.35 H new ATOM 0 HG21 VAL A 81 -6.350 5.155 -7.445 1.00 23.10 H new ATOM 0 HG22 VAL A 81 -6.052 3.677 -8.391 1.00 23.10 H new ATOM 0 HG23 VAL A 81 -4.857 4.221 -7.189 1.00 23.10 H new ATOM 1150 N GLY A 82 -1.905 5.942 -10.362 1.00 45.53 N ATOM 1151 CA GLY A 82 -1.218 6.901 -11.213 1.00 61.41 C ATOM 1152 C GLY A 82 -0.513 6.222 -12.370 1.00 43.13 C ATOM 1153 O GLY A 82 -0.618 6.654 -13.519 1.00 63.23 O ATOM 0 H GLY A 82 -1.444 5.750 -9.473 1.00 45.53 H new ATOM 0 HA2 GLY A 82 -1.936 7.624 -11.599 1.00 61.41 H new ATOM 0 HA3 GLY A 82 -0.492 7.458 -10.621 1.00 61.41 H new ATOM 1157 N SER A 83 0.190 5.141 -12.059 1.00 61.33 N ATOM 1158 CA SER A 83 0.909 4.363 -13.059 1.00 24.21 C ATOM 1159 C SER A 83 -0.033 3.378 -13.757 1.00 41.44 C ATOM 1160 O SER A 83 0.388 2.594 -14.610 1.00 52.15 O ATOM 1161 CB SER A 83 2.068 3.624 -12.384 1.00 24.14 C ATOM 1162 OG SER A 83 2.884 4.532 -11.658 1.00 44.43 O ATOM 0 H SER A 83 0.278 4.780 -11.109 1.00 61.33 H new ATOM 0 HA SER A 83 1.308 5.034 -13.820 1.00 24.21 H new ATOM 0 HB2 SER A 83 1.677 2.860 -11.712 1.00 24.14 H new ATOM 0 HB3 SER A 83 2.666 3.110 -13.136 1.00 24.14 H new ATOM 0 HG SER A 83 3.798 4.505 -12.011 1.00 44.43 H new ATOM 1168 N GLY A 84 -1.313 3.436 -13.393 1.00 42.43 N ATOM 1169 CA GLY A 84 -2.315 2.585 -14.009 1.00 74.34 C ATOM 1170 C GLY A 84 -2.119 1.117 -13.685 1.00 51.31 C ATOM 1171 O GLY A 84 -2.359 0.249 -14.529 1.00 63.34 O ATOM 0 H GLY A 84 -1.675 4.064 -12.675 1.00 42.43 H new ATOM 0 HA2 GLY A 84 -3.305 2.897 -13.675 1.00 74.34 H new ATOM 0 HA3 GLY A 84 -2.285 2.721 -15.090 1.00 74.34 H new ATOM 1175 N LEU A 85 -1.674 0.835 -12.464 1.00 15.03 N ATOM 1176 CA LEU A 85 -1.483 -0.540 -12.015 1.00 33.03 C ATOM 1177 C LEU A 85 -2.836 -1.161 -11.682 1.00 5.30 C ATOM 1178 O LEU A 85 -3.120 -2.304 -12.050 1.00 44.24 O ATOM 1179 CB LEU A 85 -0.551 -0.580 -10.792 1.00 51.32 C ATOM 1180 CG LEU A 85 0.841 0.043 -11.005 1.00 22.24 C ATOM 1181 CD1 LEU A 85 1.664 -0.023 -9.722 1.00 12.54 C ATOM 1182 CD2 LEU A 85 1.576 -0.645 -12.158 1.00 5.31 C ATOM 0 H LEU A 85 -1.439 1.542 -11.767 1.00 15.03 H new ATOM 0 HA LEU A 85 -1.017 -1.117 -12.814 1.00 33.03 H new ATOM 0 HB2 LEU A 85 -1.040 -0.063 -9.966 1.00 51.32 H new ATOM 0 HB3 LEU A 85 -0.423 -1.619 -10.487 1.00 51.32 H new ATOM 0 HG LEU A 85 0.706 1.092 -11.269 1.00 22.24 H new ATOM 0 HD11 LEU A 85 2.644 0.422 -9.895 1.00 12.54 H new ATOM 0 HD12 LEU A 85 1.151 0.525 -8.932 1.00 12.54 H new ATOM 0 HD13 LEU A 85 1.787 -1.064 -9.421 1.00 12.54 H new ATOM 0 HD21 LEU A 85 2.557 -0.187 -12.289 1.00 5.31 H new ATOM 0 HD22 LEU A 85 1.697 -1.704 -11.932 1.00 5.31 H new ATOM 0 HD23 LEU A 85 0.998 -0.534 -13.076 1.00 5.31 H new ATOM 1194 N VAL A 86 -3.667 -0.382 -10.990 1.00 23.24 N ATOM 1195 CA VAL A 86 -5.033 -0.778 -10.646 1.00 30.23 C ATOM 1196 C VAL A 86 -5.943 0.445 -10.698 1.00 60.23 C ATOM 1197 O VAL A 86 -5.458 1.574 -10.798 1.00 14.44 O ATOM 1198 CB VAL A 86 -5.122 -1.423 -9.234 1.00 72.33 C ATOM 1199 CG1 VAL A 86 -4.331 -2.728 -9.176 1.00 31.44 C ATOM 1200 CG2 VAL A 86 -4.643 -0.446 -8.158 1.00 33.25 C ATOM 0 H VAL A 86 -3.411 0.545 -10.651 1.00 23.24 H new ATOM 0 HA VAL A 86 -5.351 -1.526 -11.372 1.00 30.23 H new ATOM 0 HB VAL A 86 -6.168 -1.657 -9.037 1.00 72.33 H new ATOM 0 HG11 VAL A 86 -4.410 -3.158 -8.177 1.00 31.44 H new ATOM 0 HG12 VAL A 86 -4.733 -3.430 -9.906 1.00 31.44 H new ATOM 0 HG13 VAL A 86 -3.284 -2.529 -9.403 1.00 31.44 H new ATOM 0 HG21 VAL A 86 -4.714 -0.919 -7.179 1.00 33.25 H new ATOM 0 HG22 VAL A 86 -3.607 -0.170 -8.353 1.00 33.25 H new ATOM 0 HG23 VAL A 86 -5.266 0.448 -8.175 1.00 33.25 H new ATOM 1210 N ASP A 87 -7.254 0.225 -10.626 1.00 10.05 N ATOM 1211 CA ASP A 87 -8.218 1.324 -10.675 1.00 64.04 C ATOM 1212 C ASP A 87 -8.542 1.811 -9.268 1.00 62.15 C ATOM 1213 O ASP A 87 -8.519 3.015 -8.991 1.00 55.41 O ATOM 1214 CB ASP A 87 -9.512 0.895 -11.386 1.00 2.54 C ATOM 1215 CG ASP A 87 -9.287 0.494 -12.836 1.00 62.24 C ATOM 1216 OD1 ASP A 87 -9.184 1.390 -13.706 1.00 60.01 O ATOM 1217 OD2 ASP A 87 -9.215 -0.720 -13.115 1.00 11.24 O ATOM 0 H ASP A 87 -7.673 -0.700 -10.534 1.00 10.05 H new ATOM 0 HA ASP A 87 -7.765 2.138 -11.241 1.00 64.04 H new ATOM 0 HB2 ASP A 87 -9.956 0.058 -10.848 1.00 2.54 H new ATOM 0 HB3 ASP A 87 -10.230 1.714 -11.348 1.00 2.54 H new ATOM 1222 N ASP A 88 -8.835 0.868 -8.376 1.00 3.32 N ATOM 1223 CA ASP A 88 -9.182 1.195 -6.994 1.00 35.10 C ATOM 1224 C ASP A 88 -8.383 0.337 -6.021 1.00 51.02 C ATOM 1225 O ASP A 88 -7.994 -0.793 -6.335 1.00 43.41 O ATOM 1226 CB ASP A 88 -10.687 1.015 -6.746 1.00 2.13 C ATOM 1227 CG ASP A 88 -11.535 2.042 -7.485 1.00 21.21 C ATOM 1228 OD1 ASP A 88 -12.100 1.705 -8.549 1.00 2.40 O ATOM 1229 OD2 ASP A 88 -11.632 3.196 -7.006 1.00 51.35 O ATOM 0 H ASP A 88 -8.839 -0.130 -8.585 1.00 3.32 H new ATOM 0 HA ASP A 88 -8.929 2.242 -6.826 1.00 35.10 H new ATOM 0 HB2 ASP A 88 -10.984 0.014 -7.057 1.00 2.13 H new ATOM 0 HB3 ASP A 88 -10.886 1.089 -5.677 1.00 2.13 H new ATOM 1234 N ILE A 89 -8.138 0.887 -4.838 1.00 71.42 N ATOM 1235 CA ILE A 89 -7.374 0.197 -3.807 1.00 45.23 C ATOM 1236 C ILE A 89 -8.261 -0.118 -2.608 1.00 35.14 C ATOM 1237 O ILE A 89 -9.233 0.588 -2.332 1.00 14.20 O ATOM 1238 CB ILE A 89 -6.160 1.037 -3.329 1.00 34.23 C ATOM 1239 CG1 ILE A 89 -6.627 2.324 -2.623 1.00 23.42 C ATOM 1240 CG2 ILE A 89 -5.244 1.369 -4.507 1.00 63.35 C ATOM 1241 CD1 ILE A 89 -5.508 3.100 -1.956 1.00 1.12 C ATOM 0 H ILE A 89 -8.460 1.816 -4.568 1.00 71.42 H new ATOM 0 HA ILE A 89 -7.003 -0.728 -4.250 1.00 45.23 H new ATOM 0 HB ILE A 89 -5.596 0.444 -2.609 1.00 34.23 H new ATOM 0 HG12 ILE A 89 -7.119 2.969 -3.352 1.00 23.42 H new ATOM 0 HG13 ILE A 89 -7.373 2.064 -1.872 1.00 23.42 H new ATOM 0 HG21 ILE A 89 -4.397 1.958 -4.155 1.00 63.35 H new ATOM 0 HG22 ILE A 89 -4.881 0.445 -4.957 1.00 63.35 H new ATOM 0 HG23 ILE A 89 -5.800 1.941 -5.250 1.00 63.35 H new ATOM 0 HD11 ILE A 89 -5.917 3.992 -1.481 1.00 1.12 H new ATOM 0 HD12 ILE A 89 -5.030 2.474 -1.202 1.00 1.12 H new ATOM 0 HD13 ILE A 89 -4.772 3.392 -2.705 1.00 1.12 H new ATOM 1253 N ARG A 90 -7.921 -1.182 -1.902 1.00 34.11 N ATOM 1254 CA ARG A 90 -8.632 -1.583 -0.701 1.00 31.31 C ATOM 1255 C ARG A 90 -7.604 -2.007 0.342 1.00 70.34 C ATOM 1256 O ARG A 90 -7.001 -3.069 0.218 1.00 12.25 O ATOM 1257 CB ARG A 90 -9.569 -2.761 -1.020 1.00 14.20 C ATOM 1258 CG ARG A 90 -10.802 -2.898 -0.121 1.00 62.01 C ATOM 1259 CD ARG A 90 -10.492 -2.810 1.372 1.00 31.22 C ATOM 1260 NE ARG A 90 -10.397 -1.419 1.826 1.00 63.43 N ATOM 1261 CZ ARG A 90 -10.897 -0.968 2.976 1.00 42.10 C ATOM 1262 NH1 ARG A 90 -11.471 -1.806 3.833 1.00 3.02 N ATOM 1263 NH2 ARG A 90 -10.814 0.323 3.263 1.00 63.53 N ATOM 0 H ARG A 90 -7.142 -1.794 -2.146 1.00 34.11 H new ATOM 0 HA ARG A 90 -9.231 -0.755 -0.323 1.00 31.31 H new ATOM 0 HB2 ARG A 90 -9.905 -2.663 -2.052 1.00 14.20 H new ATOM 0 HB3 ARG A 90 -8.994 -3.685 -0.958 1.00 14.20 H new ATOM 0 HG2 ARG A 90 -11.517 -2.117 -0.380 1.00 62.01 H new ATOM 0 HG3 ARG A 90 -11.285 -3.853 -0.326 1.00 62.01 H new ATOM 0 HD2 ARG A 90 -11.270 -3.324 1.936 1.00 31.22 H new ATOM 0 HD3 ARG A 90 -9.554 -3.325 1.580 1.00 31.22 H new ATOM 0 HE ARG A 90 -9.916 -0.753 1.222 1.00 63.43 H new ATOM 0 HH11 ARG A 90 -11.531 -2.800 3.612 1.00 3.02 H new ATOM 0 HH12 ARG A 90 -11.852 -1.455 4.712 1.00 3.02 H new ATOM 0 HH21 ARG A 90 -10.370 0.964 2.606 1.00 63.53 H new ATOM 0 HH22 ARG A 90 -11.194 0.676 4.141 1.00 63.53 H new ATOM 1277 N ILE A 91 -7.395 -1.182 1.358 1.00 24.12 N ATOM 1278 CA ILE A 91 -6.436 -1.507 2.406 1.00 30.40 C ATOM 1279 C ILE A 91 -7.146 -2.148 3.596 1.00 12.20 C ATOM 1280 O ILE A 91 -7.975 -1.519 4.256 1.00 53.53 O ATOM 1281 CB ILE A 91 -5.642 -0.257 2.867 1.00 12.22 C ATOM 1282 CG1 ILE A 91 -4.893 0.367 1.672 1.00 33.44 C ATOM 1283 CG2 ILE A 91 -4.663 -0.620 3.985 1.00 52.45 C ATOM 1284 CD1 ILE A 91 -4.020 1.555 2.034 1.00 73.33 C ATOM 0 H ILE A 91 -7.872 -0.289 1.480 1.00 24.12 H new ATOM 0 HA ILE A 91 -5.723 -2.218 1.989 1.00 30.40 H new ATOM 0 HB ILE A 91 -6.347 0.476 3.259 1.00 12.22 H new ATOM 0 HG12 ILE A 91 -4.271 -0.398 1.208 1.00 33.44 H new ATOM 0 HG13 ILE A 91 -5.622 0.681 0.925 1.00 33.44 H new ATOM 0 HG21 ILE A 91 -4.116 0.271 4.294 1.00 52.45 H new ATOM 0 HG22 ILE A 91 -5.214 -1.020 4.836 1.00 52.45 H new ATOM 0 HG23 ILE A 91 -3.960 -1.370 3.623 1.00 52.45 H new ATOM 0 HD11 ILE A 91 -3.530 1.933 1.137 1.00 73.33 H new ATOM 0 HD12 ILE A 91 -4.637 2.341 2.469 1.00 73.33 H new ATOM 0 HD13 ILE A 91 -3.265 1.245 2.757 1.00 73.33 H new ATOM 1296 N ASN A 92 -6.832 -3.415 3.836 1.00 72.31 N ATOM 1297 CA ASN A 92 -7.389 -4.165 4.954 1.00 20.24 C ATOM 1298 C ASN A 92 -6.502 -3.966 6.180 1.00 21.21 C ATOM 1299 O ASN A 92 -5.416 -4.549 6.272 1.00 55.14 O ATOM 1300 CB ASN A 92 -7.476 -5.656 4.595 1.00 40.13 C ATOM 1301 CG ASN A 92 -8.090 -6.504 5.700 1.00 2.42 C ATOM 1302 OD1 ASN A 92 -9.282 -6.796 5.679 1.00 21.33 O ATOM 1303 ND2 ASN A 92 -7.279 -6.905 6.667 1.00 13.23 N ATOM 0 H ASN A 92 -6.183 -3.952 3.260 1.00 72.31 H new ATOM 0 HA ASN A 92 -8.394 -3.804 5.173 1.00 20.24 H new ATOM 0 HB2 ASN A 92 -8.068 -5.770 3.687 1.00 40.13 H new ATOM 0 HB3 ASN A 92 -6.476 -6.029 4.373 1.00 40.13 H new ATOM 0 HD21 ASN A 92 -7.639 -7.478 7.430 1.00 13.23 H new ATOM 0 HD22 ASN A 92 -6.294 -6.641 6.649 1.00 13.23 H new ATOM 1310 N TRP A 93 -6.947 -3.122 7.102 1.00 42.52 N ATOM 1311 CA TRP A 93 -6.159 -2.783 8.283 1.00 43.13 C ATOM 1312 C TRP A 93 -6.319 -3.849 9.357 1.00 5.31 C ATOM 1313 O TRP A 93 -7.371 -3.941 9.994 1.00 50.15 O ATOM 1314 CB TRP A 93 -6.599 -1.431 8.852 1.00 73.45 C ATOM 1315 CG TRP A 93 -6.753 -0.364 7.815 1.00 10.50 C ATOM 1316 CD1 TRP A 93 -5.758 0.312 7.174 1.00 4.02 C ATOM 1317 CD2 TRP A 93 -7.987 0.153 7.304 1.00 61.43 C ATOM 1318 NE1 TRP A 93 -6.297 1.214 6.294 1.00 1.13 N ATOM 1319 CE2 TRP A 93 -7.663 1.137 6.355 1.00 40.24 C ATOM 1320 CE3 TRP A 93 -9.334 -0.122 7.554 1.00 3.14 C ATOM 1321 CZ2 TRP A 93 -8.633 1.850 5.660 1.00 61.30 C ATOM 1322 CZ3 TRP A 93 -10.298 0.587 6.862 1.00 61.14 C ATOM 1323 CH2 TRP A 93 -9.942 1.563 5.923 1.00 10.34 C ATOM 0 H TRP A 93 -7.854 -2.657 7.055 1.00 42.52 H new ATOM 0 HA TRP A 93 -5.113 -2.727 7.982 1.00 43.13 H new ATOM 0 HB2 TRP A 93 -7.547 -1.558 9.374 1.00 73.45 H new ATOM 0 HB3 TRP A 93 -5.869 -1.103 9.592 1.00 73.45 H new ATOM 0 HD1 TRP A 93 -4.701 0.159 7.336 1.00 4.02 H new ATOM 0 HE1 TRP A 93 -5.766 1.842 5.691 1.00 1.13 H new ATOM 0 HE3 TRP A 93 -9.617 -0.875 8.275 1.00 3.14 H new ATOM 0 HZ2 TRP A 93 -8.361 2.605 4.937 1.00 61.30 H new ATOM 0 HZ3 TRP A 93 -11.342 0.385 7.049 1.00 61.14 H new ATOM 0 HH2 TRP A 93 -10.718 2.099 5.397 1.00 10.34 H new ATOM 1334 N VAL A 94 -5.287 -4.658 9.559 1.00 22.14 N ATOM 1335 CA VAL A 94 -5.317 -5.657 10.619 1.00 14.03 C ATOM 1336 C VAL A 94 -4.830 -5.027 11.924 1.00 13.44 C ATOM 1337 O VAL A 94 -3.726 -4.485 11.984 1.00 21.04 O ATOM 1338 CB VAL A 94 -4.429 -6.885 10.279 1.00 12.13 C ATOM 1339 CG1 VAL A 94 -4.575 -7.974 11.340 1.00 64.44 C ATOM 1340 CG2 VAL A 94 -4.758 -7.429 8.886 1.00 34.02 C ATOM 0 H VAL A 94 -4.428 -4.643 9.010 1.00 22.14 H new ATOM 0 HA VAL A 94 -6.345 -6.004 10.724 1.00 14.03 H new ATOM 0 HB VAL A 94 -3.389 -6.558 10.274 1.00 12.13 H new ATOM 0 HG11 VAL A 94 -3.943 -8.823 11.079 1.00 64.44 H new ATOM 0 HG12 VAL A 94 -4.271 -7.580 12.310 1.00 64.44 H new ATOM 0 HG13 VAL A 94 -5.615 -8.297 11.389 1.00 64.44 H new ATOM 0 HG21 VAL A 94 -4.123 -8.288 8.672 1.00 34.02 H new ATOM 0 HG22 VAL A 94 -5.804 -7.733 8.852 1.00 34.02 H new ATOM 0 HG23 VAL A 94 -4.582 -6.653 8.141 1.00 34.02 H new ATOM 1350 N TRP A 95 -5.658 -5.093 12.962 1.00 33.53 N ATOM 1351 CA TRP A 95 -5.294 -4.569 14.282 1.00 4.20 C ATOM 1352 C TRP A 95 -5.377 -5.676 15.329 1.00 62.03 C ATOM 1353 O TRP A 95 -4.808 -5.566 16.417 1.00 71.23 O ATOM 1354 CB TRP A 95 -6.228 -3.418 14.691 1.00 61.22 C ATOM 1355 CG TRP A 95 -6.296 -2.293 13.694 1.00 4.43 C ATOM 1356 CD1 TRP A 95 -5.249 -1.649 13.100 1.00 53.55 C ATOM 1357 CD2 TRP A 95 -7.486 -1.666 13.197 1.00 32.10 C ATOM 1358 NE1 TRP A 95 -5.714 -0.668 12.257 1.00 73.03 N ATOM 1359 CE2 TRP A 95 -7.086 -0.658 12.302 1.00 33.21 C ATOM 1360 CE3 TRP A 95 -8.852 -1.866 13.421 1.00 71.11 C ATOM 1361 CZ2 TRP A 95 -8.003 0.152 11.632 1.00 23.13 C ATOM 1362 CZ3 TRP A 95 -9.761 -1.063 12.756 1.00 62.31 C ATOM 1363 CH2 TRP A 95 -9.333 -0.065 11.871 1.00 14.45 C ATOM 0 H TRP A 95 -6.590 -5.505 12.918 1.00 33.53 H new ATOM 0 HA TRP A 95 -4.272 -4.194 14.224 1.00 4.20 H new ATOM 0 HB2 TRP A 95 -7.232 -3.816 14.842 1.00 61.22 H new ATOM 0 HB3 TRP A 95 -5.896 -3.019 15.650 1.00 61.22 H new ATOM 0 HD1 TRP A 95 -4.207 -1.877 13.268 1.00 53.55 H new ATOM 0 HE1 TRP A 95 -5.134 -0.049 11.691 1.00 73.03 H new ATOM 0 HE3 TRP A 95 -9.191 -2.634 14.101 1.00 71.11 H new ATOM 0 HZ2 TRP A 95 -7.675 0.922 10.950 1.00 23.13 H new ATOM 0 HZ3 TRP A 95 -10.818 -1.208 12.922 1.00 62.31 H new ATOM 0 HH2 TRP A 95 -10.068 0.546 11.367 1.00 14.45 H new ATOM 1374 N ASN A 96 -6.082 -6.743 14.969 1.00 20.55 N ATOM 1375 CA ASN A 96 -6.373 -7.857 15.873 1.00 30.54 C ATOM 1376 C ASN A 96 -7.329 -8.837 15.184 1.00 4.42 C ATOM 1377 O ASN A 96 -7.104 -10.049 15.221 1.00 55.42 O ATOM 1378 CB ASN A 96 -6.970 -7.372 17.210 1.00 33.44 C ATOM 1379 CG ASN A 96 -7.238 -8.510 18.182 1.00 72.00 C ATOM 1380 OD1 ASN A 96 -8.330 -9.082 18.213 1.00 1.45 O ATOM 1381 ND2 ASN A 96 -6.242 -8.845 18.981 1.00 44.14 N ATOM 0 H ASN A 96 -6.472 -6.863 14.034 1.00 20.55 H new ATOM 0 HA ASN A 96 -5.435 -8.361 16.104 1.00 30.54 H new ATOM 0 HB2 ASN A 96 -6.286 -6.660 17.671 1.00 33.44 H new ATOM 0 HB3 ASN A 96 -7.901 -6.840 17.015 1.00 33.44 H new ATOM 0 HD21 ASN A 96 -6.361 -9.602 19.655 1.00 44.14 H new ATOM 0 HD22 ASN A 96 -5.353 -8.347 18.925 1.00 44.14 H new ATOM 1388 N PRO A 97 -8.426 -8.336 14.554 1.00 35.04 N ATOM 1389 CA PRO A 97 -9.255 -9.168 13.673 1.00 2.03 C ATOM 1390 C PRO A 97 -8.475 -9.537 12.411 1.00 21.13 C ATOM 1391 O PRO A 97 -7.729 -8.706 11.887 1.00 61.30 O ATOM 1392 CB PRO A 97 -10.458 -8.267 13.337 1.00 20.53 C ATOM 1393 CG PRO A 97 -9.956 -6.876 13.531 1.00 52.41 C ATOM 1394 CD PRO A 97 -8.957 -6.954 14.656 1.00 53.23 C ATOM 0 HA PRO A 97 -9.559 -10.109 14.132 1.00 2.03 H new ATOM 0 HB2 PRO A 97 -10.798 -8.426 12.314 1.00 20.53 H new ATOM 0 HB3 PRO A 97 -11.305 -8.477 13.991 1.00 20.53 H new ATOM 0 HG2 PRO A 97 -9.491 -6.497 12.621 1.00 52.41 H new ATOM 0 HG3 PRO A 97 -10.772 -6.197 13.779 1.00 52.41 H new ATOM 0 HD2 PRO A 97 -8.167 -6.211 14.543 1.00 53.23 H new ATOM 0 HD3 PRO A 97 -9.427 -6.775 15.623 1.00 53.23 H new ATOM 1402 N PRO A 98 -8.605 -10.785 11.922 1.00 40.23 N ATOM 1403 CA PRO A 98 -7.843 -11.252 10.761 1.00 60.43 C ATOM 1404 C PRO A 98 -8.307 -10.597 9.452 1.00 73.11 C ATOM 1405 O PRO A 98 -7.837 -9.513 9.094 1.00 30.21 O ATOM 1406 CB PRO A 98 -8.084 -12.770 10.761 1.00 52.11 C ATOM 1407 CG PRO A 98 -9.400 -12.943 11.447 1.00 40.55 C ATOM 1408 CD PRO A 98 -9.496 -11.832 12.463 1.00 24.13 C ATOM 0 HA PRO A 98 -6.787 -10.991 10.826 1.00 60.43 H new ATOM 0 HB2 PRO A 98 -8.111 -13.167 9.746 1.00 52.11 H new ATOM 0 HB3 PRO A 98 -7.289 -13.297 11.289 1.00 52.11 H new ATOM 0 HG2 PRO A 98 -10.221 -12.889 10.732 1.00 40.55 H new ATOM 0 HG3 PRO A 98 -9.462 -13.918 11.930 1.00 40.55 H new ATOM 0 HD2 PRO A 98 -10.520 -11.472 12.567 1.00 24.13 H new ATOM 0 HD3 PRO A 98 -9.172 -12.163 13.450 1.00 24.13 H new ATOM 1416 N TRP A 99 -9.239 -11.243 8.747 1.00 32.32 N ATOM 1417 CA TRP A 99 -9.726 -10.749 7.461 1.00 1.30 C ATOM 1418 C TRP A 99 -11.207 -11.094 7.296 1.00 21.24 C ATOM 1419 O TRP A 99 -11.732 -11.954 8.011 1.00 42.03 O ATOM 1420 CB TRP A 99 -8.913 -11.365 6.307 1.00 22.40 C ATOM 1421 CG TRP A 99 -7.429 -11.159 6.442 1.00 63.40 C ATOM 1422 CD1 TRP A 99 -6.745 -9.990 6.270 1.00 13.14 C ATOM 1423 CD2 TRP A 99 -6.447 -12.148 6.783 1.00 63.12 C ATOM 1424 NE1 TRP A 99 -5.407 -10.187 6.495 1.00 64.22 N ATOM 1425 CE2 TRP A 99 -5.196 -11.501 6.804 1.00 50.15 C ATOM 1426 CE3 TRP A 99 -6.503 -13.516 7.072 1.00 11.02 C ATOM 1427 CZ2 TRP A 99 -4.014 -12.175 7.103 1.00 61.11 C ATOM 1428 CZ3 TRP A 99 -5.329 -14.182 7.368 1.00 71.52 C ATOM 1429 CH2 TRP A 99 -4.098 -13.512 7.383 1.00 12.33 C ATOM 0 H TRP A 99 -9.673 -12.115 9.050 1.00 32.32 H new ATOM 0 HA TRP A 99 -9.606 -9.666 7.435 1.00 1.30 H new ATOM 0 HB2 TRP A 99 -9.120 -12.434 6.257 1.00 22.40 H new ATOM 0 HB3 TRP A 99 -9.248 -10.931 5.365 1.00 22.40 H new ATOM 0 HD1 TRP A 99 -7.193 -9.046 5.996 1.00 13.14 H new ATOM 0 HE1 TRP A 99 -4.685 -9.468 6.440 1.00 64.22 H new ATOM 0 HE3 TRP A 99 -7.446 -14.042 7.064 1.00 11.02 H new ATOM 0 HZ2 TRP A 99 -3.065 -11.660 7.113 1.00 61.11 H new ATOM 0 HZ3 TRP A 99 -5.361 -15.238 7.592 1.00 71.52 H new ATOM 0 HH2 TRP A 99 -3.199 -14.061 7.620 1.00 12.33 H new ATOM 1440 N GLY A 100 -11.872 -10.425 6.358 1.00 34.12 N ATOM 1441 CA GLY A 100 -13.277 -10.693 6.094 1.00 71.42 C ATOM 1442 C GLY A 100 -13.909 -9.599 5.258 1.00 55.15 C ATOM 1443 O GLY A 100 -13.370 -9.242 4.206 1.00 60.53 O ATOM 0 H GLY A 100 -11.461 -9.698 5.773 1.00 34.12 H new ATOM 0 HA2 GLY A 100 -13.374 -11.648 5.577 1.00 71.42 H new ATOM 0 HA3 GLY A 100 -13.814 -10.785 7.038 1.00 71.42 H new ATOM 1447 N PRO A 101 -15.041 -9.018 5.710 1.00 21.02 N ATOM 1448 CA PRO A 101 -15.725 -7.939 4.980 1.00 45.34 C ATOM 1449 C PRO A 101 -14.836 -6.705 4.833 1.00 55.20 C ATOM 1450 O PRO A 101 -15.077 -5.843 3.985 1.00 13.21 O ATOM 1451 CB PRO A 101 -16.957 -7.630 5.852 1.00 44.12 C ATOM 1452 CG PRO A 101 -16.606 -8.146 7.209 1.00 31.30 C ATOM 1453 CD PRO A 101 -15.733 -9.349 6.974 1.00 32.35 C ATOM 0 HA PRO A 101 -15.985 -8.229 3.962 1.00 45.34 H new ATOM 0 HB2 PRO A 101 -17.165 -6.560 5.878 1.00 44.12 H new ATOM 0 HB3 PRO A 101 -17.850 -8.119 5.462 1.00 44.12 H new ATOM 0 HG2 PRO A 101 -16.081 -7.389 7.792 1.00 31.30 H new ATOM 0 HG3 PRO A 101 -17.501 -8.415 7.769 1.00 31.30 H new ATOM 0 HD2 PRO A 101 -15.028 -9.502 7.791 1.00 32.35 H new ATOM 0 HD3 PRO A 101 -16.321 -10.263 6.885 1.00 32.35 H new ATOM 1461 N ASP A 102 -13.795 -6.645 5.660 1.00 11.04 N ATOM 1462 CA ASP A 102 -12.827 -5.547 5.637 1.00 62.24 C ATOM 1463 C ASP A 102 -12.069 -5.513 4.309 1.00 22.50 C ATOM 1464 O ASP A 102 -11.375 -4.540 3.997 1.00 31.15 O ATOM 1465 CB ASP A 102 -11.843 -5.697 6.803 1.00 5.12 C ATOM 1466 CG ASP A 102 -12.550 -5.884 8.135 1.00 23.41 C ATOM 1467 OD1 ASP A 102 -13.011 -7.018 8.409 1.00 30.51 O ATOM 1468 OD2 ASP A 102 -12.661 -4.908 8.906 1.00 43.14 O ATOM 0 H ASP A 102 -13.597 -7.355 6.365 1.00 11.04 H new ATOM 0 HA ASP A 102 -13.369 -4.607 5.742 1.00 62.24 H new ATOM 0 HB2 ASP A 102 -11.191 -6.551 6.618 1.00 5.12 H new ATOM 0 HB3 ASP A 102 -11.206 -4.814 6.853 1.00 5.12 H new ATOM 1473 N LYS A 103 -12.227 -6.575 3.516 1.00 73.13 N ATOM 1474 CA LYS A 103 -11.629 -6.654 2.185 1.00 63.52 C ATOM 1475 C LYS A 103 -12.424 -5.802 1.190 1.00 4.22 C ATOM 1476 O LYS A 103 -12.096 -5.747 0.005 1.00 0.34 O ATOM 1477 CB LYS A 103 -11.587 -8.112 1.698 1.00 52.40 C ATOM 1478 CG LYS A 103 -10.632 -9.020 2.476 1.00 40.43 C ATOM 1479 CD LYS A 103 -9.163 -8.743 2.143 1.00 64.22 C ATOM 1480 CE LYS A 103 -8.232 -9.742 2.831 1.00 64.40 C ATOM 1481 NZ LYS A 103 -6.820 -9.586 2.393 1.00 3.15 N ATOM 0 H LYS A 103 -12.770 -7.398 3.778 1.00 73.13 H new ATOM 0 HA LYS A 103 -10.610 -6.272 2.247 1.00 63.52 H new ATOM 0 HB2 LYS A 103 -12.592 -8.529 1.757 1.00 52.40 H new ATOM 0 HB3 LYS A 103 -11.299 -8.121 0.647 1.00 52.40 H new ATOM 0 HG2 LYS A 103 -10.792 -8.880 3.545 1.00 40.43 H new ATOM 0 HG3 LYS A 103 -10.862 -10.062 2.253 1.00 40.43 H new ATOM 0 HD2 LYS A 103 -9.018 -8.793 1.064 1.00 64.22 H new ATOM 0 HD3 LYS A 103 -8.904 -7.730 2.452 1.00 64.22 H new ATOM 0 HE2 LYS A 103 -8.293 -9.608 3.911 1.00 64.40 H new ATOM 0 HE3 LYS A 103 -8.568 -10.757 2.616 1.00 64.40 H new ATOM 0 HZ1 LYS A 103 -6.228 -10.294 2.872 1.00 3.15 H new ATOM 0 HZ2 LYS A 103 -6.759 -9.722 1.364 1.00 3.15 H new ATOM 0 HZ3 LYS A 103 -6.484 -8.632 2.637 1.00 3.15 H new