USER MOD reduce.3.24.130724 H: found=0, std=0, add=409, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 410 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 Set 1.1: A 33 SER OG : rot -5:sc= 0.503 USER MOD Set 1.2: A 49 THR OG1 : rot -79:sc= 0.12 USER MOD Set 2.1: A 17 ASN : amide:sc= 0.458 K(o=1.4,f=-7.5!) USER MOD Set 2.2: A 19 SER OG : rot -81:sc= 0.915 USER MOD Single : A 9 SER OG : rot 180:sc= -1.34 USER MOD Single : A 10 ASN : amide:sc= -0.0744 K(o=-0.074,f=-2.6!) USER MOD Single : A 16 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -64:sc= 0.74 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 36 GLN : amide:sc= -1.13 K(o=-1.1,f=-6.7!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 43 SER OG : rot 71:sc= 0.219 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 11:sc= 0.939 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0134) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.15) USER MOD ----------------------------------------------------------------- ATOM 151 N GLY A 8 102.829 3.002 -1.538 1.00 0.00 N ATOM 152 CA GLY A 8 101.605 3.861 -1.547 1.00 0.00 C ATOM 153 C GLY A 8 101.608 4.798 -2.766 1.00 0.00 C ATOM 154 O GLY A 8 100.700 5.590 -2.936 1.00 0.00 O ATOM 0 HA2 GLY A 8 100.714 3.233 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.560 4.449 -0.630 1.00 0.00 H new ATOM 158 N SER A 9 102.614 4.723 -3.614 1.00 0.00 N ATOM 159 CA SER A 9 102.643 5.600 -4.826 1.00 0.00 C ATOM 160 C SER A 9 101.889 4.932 -5.978 1.00 0.00 C ATOM 161 O SER A 9 101.848 3.720 -6.079 1.00 0.00 O ATOM 162 CB SER A 9 104.126 5.765 -5.173 1.00 0.00 C ATOM 163 OG SER A 9 104.632 4.537 -5.681 1.00 0.00 O ATOM 0 H SER A 9 103.411 4.094 -3.516 1.00 0.00 H new ATOM 0 HA SER A 9 102.163 6.562 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.252 6.556 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.687 6.064 -4.287 1.00 0.00 H new ATOM 0 HG SER A 9 105.580 4.642 -5.905 1.00 0.00 H new ATOM 169 N ASN A 10 101.293 5.713 -6.845 1.00 0.00 N ATOM 170 CA ASN A 10 100.574 5.130 -8.020 1.00 0.00 C ATOM 171 C ASN A 10 101.493 5.124 -9.242 1.00 0.00 C ATOM 172 O ASN A 10 101.881 6.162 -9.746 1.00 0.00 O ATOM 173 CB ASN A 10 99.378 6.054 -8.256 1.00 0.00 C ATOM 174 CG ASN A 10 98.325 5.327 -9.098 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.656 4.538 -9.961 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.060 5.563 -8.881 1.00 0.00 N ATOM 0 H ASN A 10 101.273 6.731 -6.789 1.00 0.00 H new ATOM 0 HA ASN A 10 100.262 4.100 -7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.948 6.360 -7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.702 6.962 -8.765 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.350 5.085 -9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.782 6.225 -8.157 1.00 0.00 H new ATOM 183 N VAL A 11 101.839 3.956 -9.719 1.00 0.00 N ATOM 184 CA VAL A 11 102.714 3.854 -10.927 1.00 0.00 C ATOM 185 C VAL A 11 102.086 2.889 -11.937 1.00 0.00 C ATOM 186 O VAL A 11 101.215 2.111 -11.594 1.00 0.00 O ATOM 187 CB VAL A 11 104.065 3.316 -10.420 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.688 4.326 -9.454 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.872 1.977 -9.693 1.00 0.00 C ATOM 0 H VAL A 11 101.551 3.062 -9.321 1.00 0.00 H new ATOM 0 HA VAL A 11 102.838 4.813 -11.430 1.00 0.00 H new ATOM 0 HB VAL A 11 104.723 3.164 -11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.644 3.945 -9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.846 5.273 -9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.019 4.481 -8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.837 1.611 -9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.205 2.118 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.437 1.250 -10.379 1.00 0.00 H new ATOM 199 N GLU A 12 102.520 2.933 -13.173 1.00 0.00 N ATOM 200 CA GLU A 12 102.049 1.926 -14.167 1.00 0.00 C ATOM 201 C GLU A 12 103.247 1.125 -14.680 1.00 0.00 C ATOM 202 O GLU A 12 104.339 1.642 -14.803 1.00 0.00 O ATOM 203 CB GLU A 12 101.411 2.746 -15.294 1.00 0.00 C ATOM 204 CG GLU A 12 100.844 1.808 -16.368 1.00 0.00 C ATOM 205 CD GLU A 12 100.032 2.617 -17.384 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.485 3.686 -17.760 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.972 2.153 -17.768 1.00 0.00 O ATOM 0 H GLU A 12 103.179 3.623 -13.534 1.00 0.00 H new ATOM 0 HA GLU A 12 101.340 1.213 -13.747 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.617 3.375 -14.893 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.153 3.412 -15.735 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.656 1.284 -16.872 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.213 1.049 -15.905 1.00 0.00 H new ATOM 214 N VAL A 13 103.049 -0.134 -14.973 1.00 0.00 N ATOM 215 CA VAL A 13 104.163 -0.962 -15.522 1.00 0.00 C ATOM 216 C VAL A 13 103.659 -1.787 -16.708 1.00 0.00 C ATOM 217 O VAL A 13 102.547 -2.284 -16.690 1.00 0.00 O ATOM 218 CB VAL A 13 104.603 -1.869 -14.359 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.497 -2.873 -14.004 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.861 -2.636 -14.763 1.00 0.00 C ATOM 0 H VAL A 13 102.163 -0.625 -14.855 1.00 0.00 H new ATOM 0 HA VAL A 13 104.994 -0.359 -15.888 1.00 0.00 H new ATOM 0 HB VAL A 13 104.805 -1.244 -13.489 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.829 -3.504 -13.180 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.597 -2.334 -13.708 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.278 -3.495 -14.872 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.175 -3.279 -13.941 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.649 -3.246 -15.641 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.658 -1.930 -14.996 1.00 0.00 H new ATOM 230 N LEU A 14 104.459 -1.936 -17.732 1.00 0.00 N ATOM 231 CA LEU A 14 104.085 -2.898 -18.813 1.00 0.00 C ATOM 232 C LEU A 14 104.756 -4.239 -18.557 1.00 0.00 C ATOM 233 O LEU A 14 105.924 -4.302 -18.216 1.00 0.00 O ATOM 234 CB LEU A 14 104.580 -2.331 -20.152 1.00 0.00 C ATOM 235 CG LEU A 14 104.176 -0.856 -20.380 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.011 -0.633 -21.887 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.860 -0.502 -19.671 1.00 0.00 C ATOM 0 H LEU A 14 105.341 -1.442 -17.867 1.00 0.00 H new ATOM 0 HA LEU A 14 103.004 -3.038 -18.834 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.666 -2.413 -20.194 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.183 -2.939 -20.965 1.00 0.00 H new ATOM 0 HG LEU A 14 104.955 -0.216 -19.965 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.726 0.402 -22.072 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.953 -0.846 -22.392 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.236 -1.297 -22.270 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.615 0.543 -19.859 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.059 -1.136 -20.052 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.970 -0.662 -18.598 1.00 0.00 H new ATOM 249 N LEU A 15 104.028 -5.310 -18.716 1.00 0.00 N ATOM 250 CA LEU A 15 104.644 -6.659 -18.554 1.00 0.00 C ATOM 251 C LEU A 15 105.334 -7.081 -19.854 1.00 0.00 C ATOM 252 O LEU A 15 105.279 -6.384 -20.850 1.00 0.00 O ATOM 253 CB LEU A 15 103.486 -7.606 -18.221 1.00 0.00 C ATOM 254 CG LEU A 15 102.855 -7.209 -16.883 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.553 -7.987 -16.682 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.822 -7.538 -15.743 1.00 0.00 C ATOM 0 H LEU A 15 103.035 -5.310 -18.951 1.00 0.00 H new ATOM 0 HA LEU A 15 105.403 -6.670 -17.771 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.736 -7.569 -19.011 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.848 -8.633 -18.172 1.00 0.00 H new ATOM 0 HG LEU A 15 102.645 -6.139 -16.886 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.104 -7.705 -15.730 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.862 -7.755 -17.492 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.765 -9.056 -16.680 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.372 -7.255 -14.791 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.032 -8.608 -15.741 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.751 -6.986 -15.883 1.00 0.00 H new ATOM 268 N ASN A 16 105.982 -8.221 -19.846 1.00 0.00 N ATOM 269 CA ASN A 16 106.755 -8.684 -21.054 1.00 0.00 C ATOM 270 C ASN A 16 105.854 -8.785 -22.296 1.00 0.00 C ATOM 271 O ASN A 16 106.331 -8.748 -23.415 1.00 0.00 O ATOM 272 CB ASN A 16 107.317 -10.067 -20.678 1.00 0.00 C ATOM 273 CG ASN A 16 106.178 -11.031 -20.322 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.310 -11.289 -21.131 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.146 -11.573 -19.135 1.00 0.00 N ATOM 0 H ASN A 16 106.012 -8.859 -19.051 1.00 0.00 H new ATOM 0 HA ASN A 16 107.544 -7.977 -21.310 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.895 -10.469 -21.510 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.998 -9.972 -19.833 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.392 -12.213 -18.887 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.875 -11.356 -18.456 1.00 0.00 H new ATOM 282 N ASN A 17 104.564 -8.912 -22.105 1.00 0.00 N ATOM 283 CA ASN A 17 103.641 -9.093 -23.269 1.00 0.00 C ATOM 284 C ASN A 17 102.975 -7.761 -23.661 1.00 0.00 C ATOM 285 O ASN A 17 101.909 -7.753 -24.244 1.00 0.00 O ATOM 286 CB ASN A 17 102.594 -10.118 -22.798 1.00 0.00 C ATOM 287 CG ASN A 17 101.792 -9.579 -21.601 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.198 -8.636 -20.951 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.661 -10.149 -21.284 1.00 0.00 N ATOM 0 H ASN A 17 104.109 -8.898 -21.192 1.00 0.00 H new ATOM 0 HA ASN A 17 104.172 -9.436 -24.157 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.916 -10.353 -23.618 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.090 -11.047 -22.519 1.00 0.00 H new ATOM 0 HD21 ASN A 17 100.120 -9.803 -20.492 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.319 -10.941 -21.829 1.00 0.00 H new ATOM 296 N ASP A 18 103.594 -6.634 -23.342 1.00 0.00 N ATOM 297 CA ASP A 18 103.048 -5.298 -23.769 1.00 0.00 C ATOM 298 C ASP A 18 101.619 -5.103 -23.244 1.00 0.00 C ATOM 299 O ASP A 18 100.838 -4.366 -23.818 1.00 0.00 O ATOM 300 CB ASP A 18 103.065 -5.298 -25.306 1.00 0.00 C ATOM 301 CG ASP A 18 104.509 -5.405 -25.807 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.366 -4.751 -25.235 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.733 -6.140 -26.755 1.00 0.00 O ATOM 0 H ASP A 18 104.458 -6.587 -22.801 1.00 0.00 H new ATOM 0 HA ASP A 18 103.647 -4.481 -23.367 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.475 -6.133 -25.686 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.605 -4.385 -25.684 1.00 0.00 H new ATOM 308 N SER A 19 101.275 -5.758 -22.157 1.00 0.00 N ATOM 309 CA SER A 19 99.984 -5.457 -21.473 1.00 0.00 C ATOM 310 C SER A 19 100.246 -4.476 -20.333 1.00 0.00 C ATOM 311 O SER A 19 101.163 -4.657 -19.552 1.00 0.00 O ATOM 312 CB SER A 19 99.489 -6.800 -20.933 1.00 0.00 C ATOM 313 OG SER A 19 100.350 -7.236 -19.890 1.00 0.00 O ATOM 0 H SER A 19 101.836 -6.488 -21.718 1.00 0.00 H new ATOM 0 HA SER A 19 99.246 -5.005 -22.136 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.469 -6.701 -20.560 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.465 -7.540 -21.733 1.00 0.00 H new ATOM 0 HG SER A 19 101.147 -7.655 -20.277 1.00 0.00 H new ATOM 319 N LYS A 20 99.452 -3.442 -20.228 1.00 0.00 N ATOM 320 CA LYS A 20 99.784 -2.338 -19.273 1.00 0.00 C ATOM 321 C LYS A 20 98.805 -2.340 -18.094 1.00 0.00 C ATOM 322 O LYS A 20 97.612 -2.503 -18.266 1.00 0.00 O ATOM 323 CB LYS A 20 99.632 -1.030 -20.073 1.00 0.00 C ATOM 324 CG LYS A 20 100.276 -1.155 -21.464 1.00 0.00 C ATOM 325 CD LYS A 20 100.329 0.223 -22.128 1.00 0.00 C ATOM 326 CE LYS A 20 100.863 0.083 -23.555 1.00 0.00 C ATOM 327 NZ LYS A 20 100.272 1.229 -24.301 1.00 0.00 N ATOM 0 H LYS A 20 98.591 -3.313 -20.759 1.00 0.00 H new ATOM 0 HA LYS A 20 100.789 -2.453 -18.867 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.575 -0.785 -20.179 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.096 -0.209 -19.526 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.281 -1.567 -21.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.702 -1.846 -22.081 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.335 0.670 -22.143 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.970 0.891 -21.553 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.952 0.119 -23.574 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.568 -0.869 -23.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.592 1.202 -25.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.234 1.165 -24.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.576 2.122 -23.863 1.00 0.00 H new ATOM 341 N ALA A 21 99.313 -2.159 -16.899 1.00 0.00 N ATOM 342 CA ALA A 21 98.424 -2.052 -15.701 1.00 0.00 C ATOM 343 C ALA A 21 98.978 -1.004 -14.729 1.00 0.00 C ATOM 344 O ALA A 21 100.177 -0.824 -14.623 1.00 0.00 O ATOM 345 CB ALA A 21 98.450 -3.442 -15.062 1.00 0.00 C ATOM 0 H ALA A 21 100.311 -2.080 -16.702 1.00 0.00 H new ATOM 0 HA ALA A 21 97.412 -1.744 -15.962 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.819 -3.446 -14.173 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.077 -4.177 -15.775 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.473 -3.695 -14.782 1.00 0.00 H new ATOM 351 N ARG A 22 98.113 -0.314 -14.022 1.00 0.00 N ATOM 352 CA ARG A 22 98.584 0.749 -13.079 1.00 0.00 C ATOM 353 C ARG A 22 97.792 0.698 -11.769 1.00 0.00 C ATOM 354 O ARG A 22 96.644 0.296 -11.746 1.00 0.00 O ATOM 355 CB ARG A 22 98.350 2.081 -13.811 1.00 0.00 C ATOM 356 CG ARG A 22 96.859 2.265 -14.130 1.00 0.00 C ATOM 357 CD ARG A 22 96.679 3.482 -15.042 1.00 0.00 C ATOM 358 NE ARG A 22 95.199 3.682 -15.136 1.00 0.00 N ATOM 359 CZ ARG A 22 94.508 4.219 -14.146 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.085 4.591 -13.026 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.221 4.383 -14.283 1.00 0.00 N ATOM 0 H ARG A 22 97.102 -0.442 -14.058 1.00 0.00 H new ATOM 0 HA ARG A 22 99.633 0.618 -12.812 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.701 2.908 -13.194 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.931 2.103 -14.733 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.467 1.372 -14.616 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.293 2.401 -13.208 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.170 4.362 -14.627 1.00 0.00 H new ATOM 0 HD3 ARG A 22 97.116 3.307 -16.025 1.00 0.00 H new ATOM 0 HE ARG A 22 94.712 3.397 -15.985 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.090 4.468 -12.905 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.528 5.003 -12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.760 4.098 -15.147 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.676 4.796 -13.526 1.00 0.00 H new ATOM 375 N GLY A 23 98.404 1.105 -10.683 1.00 0.00 N ATOM 376 CA GLY A 23 97.695 1.102 -9.368 1.00 0.00 C ATOM 377 C GLY A 23 98.650 1.595 -8.279 1.00 0.00 C ATOM 378 O GLY A 23 99.748 2.035 -8.566 1.00 0.00 O ATOM 0 H GLY A 23 99.367 1.440 -10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.815 1.744 -9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.344 0.097 -9.133 1.00 0.00 H new ATOM 382 N VAL A 24 98.242 1.522 -7.035 1.00 0.00 N ATOM 383 CA VAL A 24 99.109 2.030 -5.924 1.00 0.00 C ATOM 384 C VAL A 24 99.958 0.881 -5.367 1.00 0.00 C ATOM 385 O VAL A 24 99.472 -0.211 -5.153 1.00 0.00 O ATOM 386 CB VAL A 24 98.141 2.563 -4.855 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.936 3.173 -3.696 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.240 3.646 -5.460 1.00 0.00 C ATOM 0 H VAL A 24 97.346 1.133 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 24 99.796 2.808 -6.256 1.00 0.00 H new ATOM 0 HB VAL A 24 97.530 1.737 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.247 3.550 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.578 2.411 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.550 3.993 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.557 4.019 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.855 4.467 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.667 3.223 -6.285 1.00 0.00 H new ATOM 398 N ILE A 25 101.222 1.128 -5.130 1.00 0.00 N ATOM 399 CA ILE A 25 102.123 0.043 -4.619 1.00 0.00 C ATOM 400 C ILE A 25 101.875 -0.185 -3.122 1.00 0.00 C ATOM 401 O ILE A 25 101.707 0.752 -2.364 1.00 0.00 O ATOM 402 CB ILE A 25 103.553 0.560 -4.878 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.792 0.634 -6.391 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.597 -0.371 -4.238 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.052 1.456 -6.675 1.00 0.00 C ATOM 0 H ILE A 25 101.671 2.033 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 25 101.950 -0.914 -5.110 1.00 0.00 H new ATOM 0 HB ILE A 25 103.656 1.549 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.901 -0.370 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.932 1.088 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.597 0.015 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.431 -0.418 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.503 -1.370 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.219 1.506 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.926 2.464 -6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.910 0.984 -6.197 1.00 0.00 H new ATOM 417 N THR A 26 101.851 -1.429 -2.698 1.00 0.00 N ATOM 418 CA THR A 26 101.596 -1.731 -1.256 1.00 0.00 C ATOM 419 C THR A 26 102.712 -2.598 -0.655 1.00 0.00 C ATOM 420 O THR A 26 103.069 -2.427 0.497 1.00 0.00 O ATOM 421 CB THR A 26 100.265 -2.485 -1.235 1.00 0.00 C ATOM 422 OG1 THR A 26 100.328 -3.578 -2.139 1.00 0.00 O ATOM 423 CG2 THR A 26 99.132 -1.542 -1.646 1.00 0.00 C ATOM 0 H THR A 26 101.997 -2.246 -3.291 1.00 0.00 H new ATOM 0 HA THR A 26 101.567 -0.819 -0.660 1.00 0.00 H new ATOM 0 HB THR A 26 100.074 -2.857 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.440 -3.241 -3.052 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.185 -2.082 -1.630 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.084 -0.705 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.318 -1.166 -2.652 1.00 0.00 H new ATOM 431 N ASN A 27 103.269 -3.523 -1.410 1.00 0.00 N ATOM 432 CA ASN A 27 104.239 -4.489 -0.803 1.00 0.00 C ATOM 433 C ASN A 27 105.442 -4.714 -1.722 1.00 0.00 C ATOM 434 O ASN A 27 105.333 -4.645 -2.930 1.00 0.00 O ATOM 435 CB ASN A 27 103.446 -5.786 -0.633 1.00 0.00 C ATOM 436 CG ASN A 27 104.195 -6.722 0.317 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.430 -6.384 1.461 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.582 -7.892 -0.110 1.00 0.00 N ATOM 0 H ASN A 27 103.095 -3.647 -2.407 1.00 0.00 H new ATOM 0 HA ASN A 27 104.640 -4.120 0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.453 -5.569 -0.239 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.306 -6.268 -1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.082 -8.524 0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.385 -8.175 -1.070 1.00 0.00 H new ATOM 445 N PHE A 28 106.587 -4.981 -1.143 1.00 0.00 N ATOM 446 CA PHE A 28 107.792 -5.338 -1.951 1.00 0.00 C ATOM 447 C PHE A 28 108.683 -6.292 -1.151 1.00 0.00 C ATOM 448 O PHE A 28 108.973 -6.057 0.007 1.00 0.00 O ATOM 449 CB PHE A 28 108.509 -4.013 -2.204 1.00 0.00 C ATOM 450 CG PHE A 28 109.627 -4.117 -3.214 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.327 -4.339 -4.580 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.974 -3.991 -2.795 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.375 -4.435 -5.527 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.023 -4.087 -3.743 1.00 0.00 C ATOM 455 CZ PHE A 28 111.723 -4.309 -5.109 1.00 0.00 C ATOM 0 H PHE A 28 106.738 -4.966 -0.134 1.00 0.00 H new ATOM 0 HA PHE A 28 107.537 -5.840 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.784 -3.277 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.914 -3.642 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.300 -4.435 -4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.202 -3.822 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.147 -4.604 -6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.050 -3.991 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.522 -4.382 -5.832 1.00 0.00 H new ATOM 465 N ASP A 29 109.116 -7.365 -1.765 1.00 0.00 N ATOM 466 CA ASP A 29 109.939 -8.377 -1.036 1.00 0.00 C ATOM 467 C ASP A 29 111.287 -8.559 -1.736 1.00 0.00 C ATOM 468 O ASP A 29 111.345 -8.946 -2.888 1.00 0.00 O ATOM 469 CB ASP A 29 109.123 -9.670 -1.098 1.00 0.00 C ATOM 470 CG ASP A 29 109.760 -10.726 -0.193 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.136 -10.381 0.916 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.865 -11.862 -0.625 1.00 0.00 O ATOM 0 H ASP A 29 108.934 -7.584 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 29 110.150 -8.078 -0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.097 -9.479 -0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.080 -10.035 -2.124 1.00 0.00 H new ATOM 477 N SER A 30 112.366 -8.281 -1.047 1.00 0.00 N ATOM 478 CA SER A 30 113.723 -8.425 -1.668 1.00 0.00 C ATOM 479 C SER A 30 114.054 -9.903 -1.915 1.00 0.00 C ATOM 480 O SER A 30 114.827 -10.229 -2.797 1.00 0.00 O ATOM 481 CB SER A 30 114.700 -7.823 -0.657 1.00 0.00 C ATOM 482 OG SER A 30 114.738 -8.642 0.504 1.00 0.00 O ATOM 0 H SER A 30 112.367 -7.960 -0.079 1.00 0.00 H new ATOM 0 HA SER A 30 113.777 -7.924 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.695 -7.748 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.391 -6.812 -0.393 1.00 0.00 H new ATOM 0 HG SER A 30 115.365 -8.260 1.153 1.00 0.00 H new ATOM 488 N SER A 31 113.476 -10.798 -1.145 1.00 0.00 N ATOM 489 CA SER A 31 113.807 -12.257 -1.291 1.00 0.00 C ATOM 490 C SER A 31 113.443 -12.760 -2.693 1.00 0.00 C ATOM 491 O SER A 31 114.255 -13.360 -3.372 1.00 0.00 O ATOM 492 CB SER A 31 112.962 -12.973 -0.234 1.00 0.00 C ATOM 493 OG SER A 31 113.367 -14.333 -0.153 1.00 0.00 O ATOM 0 H SER A 31 112.790 -10.582 -0.422 1.00 0.00 H new ATOM 0 HA SER A 31 114.873 -12.442 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.082 -12.487 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 31 111.905 -12.911 -0.493 1.00 0.00 H new ATOM 0 HG SER A 31 112.829 -14.795 0.524 1.00 0.00 H new ATOM 499 N ASN A 32 112.228 -12.520 -3.127 1.00 0.00 N ATOM 500 CA ASN A 32 111.804 -12.980 -4.488 1.00 0.00 C ATOM 501 C ASN A 32 111.288 -11.805 -5.336 1.00 0.00 C ATOM 502 O ASN A 32 110.633 -12.011 -6.339 1.00 0.00 O ATOM 503 CB ASN A 32 110.677 -13.983 -4.232 1.00 0.00 C ATOM 504 CG ASN A 32 111.239 -15.223 -3.531 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.355 -15.630 -3.789 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.506 -15.846 -2.649 1.00 0.00 N ATOM 0 H ASN A 32 111.511 -12.025 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 32 112.635 -13.418 -5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.903 -13.525 -3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.209 -14.267 -5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.870 -16.674 -2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.569 -15.505 -2.432 1.00 0.00 H new ATOM 513 N SER A 33 111.581 -10.579 -4.939 1.00 0.00 N ATOM 514 CA SER A 33 111.121 -9.367 -5.708 1.00 0.00 C ATOM 515 C SER A 33 109.628 -9.467 -6.083 1.00 0.00 C ATOM 516 O SER A 33 109.271 -9.575 -7.243 1.00 0.00 O ATOM 517 CB SER A 33 112.013 -9.318 -6.955 1.00 0.00 C ATOM 518 OG SER A 33 111.588 -10.297 -7.895 1.00 0.00 O ATOM 0 H SER A 33 112.126 -10.366 -4.104 1.00 0.00 H new ATOM 0 HA SER A 33 111.209 -8.457 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.969 -8.326 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 33 113.052 -9.496 -6.677 1.00 0.00 H new ATOM 0 HG SER A 33 110.873 -10.840 -7.502 1.00 0.00 H new ATOM 524 N ILE A 34 108.760 -9.427 -5.100 1.00 0.00 N ATOM 525 CA ILE A 34 107.292 -9.543 -5.378 1.00 0.00 C ATOM 526 C ILE A 34 106.594 -8.225 -5.025 1.00 0.00 C ATOM 527 O ILE A 34 106.805 -7.669 -3.963 1.00 0.00 O ATOM 528 CB ILE A 34 106.788 -10.686 -4.477 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.605 -11.976 -4.723 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.305 -10.956 -4.761 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.459 -12.466 -6.176 1.00 0.00 C ATOM 0 H ILE A 34 109.005 -9.319 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 34 107.085 -9.748 -6.428 1.00 0.00 H new ATOM 0 HB ILE A 34 106.913 -10.386 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.656 -11.790 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.271 -12.756 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.953 -11.765 -4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.726 -10.055 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.180 -11.240 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.046 -13.374 -6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.410 -12.676 -6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.818 -11.695 -6.858 1.00 0.00 H new ATOM 543 N LEU A 35 105.765 -7.726 -5.910 1.00 0.00 N ATOM 544 CA LEU A 35 105.134 -6.387 -5.696 1.00 0.00 C ATOM 545 C LEU A 35 103.610 -6.510 -5.727 1.00 0.00 C ATOM 546 O LEU A 35 103.039 -7.016 -6.676 1.00 0.00 O ATOM 547 CB LEU A 35 105.630 -5.539 -6.869 1.00 0.00 C ATOM 548 CG LEU A 35 105.171 -4.088 -6.695 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.151 -3.345 -5.785 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.127 -3.405 -8.064 1.00 0.00 C ATOM 0 H LEU A 35 105.497 -8.192 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 35 105.394 -5.950 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.718 -5.581 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.247 -5.941 -7.807 1.00 0.00 H new ATOM 0 HG LEU A 35 104.178 -4.071 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.823 -2.313 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.185 -3.833 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.145 -3.359 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.801 -2.372 -7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.121 -3.422 -8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.428 -3.934 -8.712 1.00 0.00 H new ATOM 562 N GLN A 36 102.952 -6.049 -4.693 1.00 0.00 N ATOM 563 CA GLN A 36 101.460 -6.019 -4.699 1.00 0.00 C ATOM 564 C GLN A 36 100.972 -4.610 -5.035 1.00 0.00 C ATOM 565 O GLN A 36 101.400 -3.639 -4.435 1.00 0.00 O ATOM 566 CB GLN A 36 101.046 -6.408 -3.279 1.00 0.00 C ATOM 567 CG GLN A 36 101.354 -7.889 -3.045 1.00 0.00 C ATOM 568 CD GLN A 36 101.008 -8.264 -1.602 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.183 -7.473 -0.696 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.520 -9.448 -1.348 1.00 0.00 N ATOM 0 H GLN A 36 103.387 -5.691 -3.843 1.00 0.00 H new ATOM 0 HA GLN A 36 101.033 -6.693 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.580 -5.795 -2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.982 -6.220 -3.134 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.781 -8.504 -3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.408 -8.087 -3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.373 -10.113 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.286 -9.708 -0.390 1.00 0.00 H new ATOM 579 N LEU A 37 100.083 -4.494 -5.991 1.00 0.00 N ATOM 580 CA LEU A 37 99.531 -3.155 -6.354 1.00 0.00 C ATOM 581 C LEU A 37 98.059 -3.069 -5.945 1.00 0.00 C ATOM 582 O LEU A 37 97.235 -3.839 -6.401 1.00 0.00 O ATOM 583 CB LEU A 37 99.665 -3.062 -7.876 1.00 0.00 C ATOM 584 CG LEU A 37 101.144 -2.991 -8.263 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.293 -3.300 -9.754 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.678 -1.583 -7.984 1.00 0.00 C ATOM 0 H LEU A 37 99.716 -5.273 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 37 100.056 -2.343 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.198 -3.928 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.141 -2.180 -8.243 1.00 0.00 H new ATOM 0 HG LEU A 37 101.708 -3.718 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.346 -3.250 -10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.911 -4.300 -9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.729 -2.570 -10.335 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.731 -1.532 -8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.114 -0.857 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.569 -1.356 -6.923 1.00 0.00 H new ATOM 598 N ARG A 38 97.732 -2.134 -5.089 1.00 0.00 N ATOM 599 CA ARG A 38 96.302 -1.940 -4.695 1.00 0.00 C ATOM 600 C ARG A 38 95.679 -0.825 -5.540 1.00 0.00 C ATOM 601 O ARG A 38 96.175 0.286 -5.576 1.00 0.00 O ATOM 602 CB ARG A 38 96.345 -1.544 -3.218 1.00 0.00 C ATOM 603 CG ARG A 38 94.921 -1.486 -2.658 1.00 0.00 C ATOM 604 CD ARG A 38 94.965 -1.046 -1.193 1.00 0.00 C ATOM 605 NE ARG A 38 93.549 -1.137 -0.716 1.00 0.00 N ATOM 606 CZ ARG A 38 92.988 -2.298 -0.434 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.639 -3.430 -0.572 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.753 -2.322 -0.011 1.00 0.00 N ATOM 0 H ARG A 38 98.393 -1.496 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 38 95.700 -2.835 -4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.938 -2.265 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.830 -0.574 -3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.318 -0.789 -3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.446 -2.464 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.621 -1.690 -0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.349 -0.030 -1.098 1.00 0.00 H new ATOM 0 HE ARG A 38 93.005 -0.281 -0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.603 -3.427 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.180 -4.313 -0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.234 -1.451 0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.307 -3.212 0.211 1.00 0.00 H new ATOM 622 N LEU A 39 94.598 -1.118 -6.219 1.00 0.00 N ATOM 623 CA LEU A 39 94.012 -0.129 -7.173 1.00 0.00 C ATOM 624 C LEU A 39 92.789 0.563 -6.557 1.00 0.00 C ATOM 625 O LEU A 39 92.074 -0.013 -5.755 1.00 0.00 O ATOM 626 CB LEU A 39 93.619 -0.959 -8.400 1.00 0.00 C ATOM 627 CG LEU A 39 93.273 -0.045 -9.586 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.476 0.828 -9.954 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.916 -0.913 -10.790 1.00 0.00 C ATOM 0 H LEU A 39 94.095 -2.003 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 39 94.712 0.667 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.439 -1.623 -8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.764 -1.590 -8.159 1.00 0.00 H new ATOM 0 HG LEU A 39 92.435 0.595 -9.309 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.216 1.470 -10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.753 1.445 -9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.317 0.191 -10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.668 -0.275 -11.638 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.766 -1.545 -11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.058 -1.540 -10.545 1.00 0.00 H new ATOM 641 N ALA A 40 92.550 1.797 -6.941 1.00 0.00 N ATOM 642 CA ALA A 40 91.461 2.609 -6.298 1.00 0.00 C ATOM 643 C ALA A 40 90.071 1.999 -6.543 1.00 0.00 C ATOM 644 O ALA A 40 89.097 2.427 -5.950 1.00 0.00 O ATOM 645 CB ALA A 40 91.551 3.991 -6.952 1.00 0.00 C ATOM 0 H ALA A 40 93.065 2.280 -7.677 1.00 0.00 H new ATOM 0 HA ALA A 40 91.590 2.646 -5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.784 4.643 -6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.535 4.420 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.398 3.896 -8.027 1.00 0.00 H new ATOM 651 N ASN A 41 89.962 1.010 -7.401 1.00 0.00 N ATOM 652 CA ASN A 41 88.646 0.319 -7.605 1.00 0.00 C ATOM 653 C ASN A 41 88.448 -0.807 -6.572 1.00 0.00 C ATOM 654 O ASN A 41 87.808 -1.801 -6.860 1.00 0.00 O ATOM 655 CB ASN A 41 88.719 -0.267 -9.019 1.00 0.00 C ATOM 656 CG ASN A 41 88.768 0.867 -10.046 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.144 1.895 -9.868 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.491 0.724 -11.124 1.00 0.00 N ATOM 0 H ASN A 41 90.729 0.651 -7.970 1.00 0.00 H new ATOM 0 HA ASN A 41 87.808 1.006 -7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.603 -0.897 -9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.853 -0.902 -9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.531 1.474 -11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.016 -0.138 -11.276 1.00 0.00 H new ATOM 665 N ASP A 42 88.995 -0.669 -5.369 1.00 0.00 N ATOM 666 CA ASP A 42 88.794 -1.704 -4.295 1.00 0.00 C ATOM 667 C ASP A 42 89.288 -3.075 -4.774 1.00 0.00 C ATOM 668 O ASP A 42 88.783 -4.102 -4.357 1.00 0.00 O ATOM 669 CB ASP A 42 87.284 -1.743 -4.009 1.00 0.00 C ATOM 670 CG ASP A 42 86.825 -0.387 -3.464 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.539 0.177 -2.650 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.767 0.064 -3.870 1.00 0.00 O ATOM 0 H ASP A 42 89.574 0.123 -5.091 1.00 0.00 H new ATOM 0 HA ASP A 42 89.358 -1.456 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.738 -1.983 -4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.061 -2.530 -3.288 1.00 0.00 H new ATOM 677 N SER A 43 90.273 -3.099 -5.650 1.00 0.00 N ATOM 678 CA SER A 43 90.835 -4.404 -6.117 1.00 0.00 C ATOM 679 C SER A 43 92.331 -4.475 -5.803 1.00 0.00 C ATOM 680 O SER A 43 93.042 -3.494 -5.920 1.00 0.00 O ATOM 681 CB SER A 43 90.600 -4.419 -7.627 1.00 0.00 C ATOM 682 OG SER A 43 89.205 -4.338 -7.886 1.00 0.00 O ATOM 0 H SER A 43 90.707 -2.271 -6.057 1.00 0.00 H new ATOM 0 HA SER A 43 90.367 -5.257 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.118 -3.582 -8.096 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.010 -5.331 -8.061 1.00 0.00 H new ATOM 0 HG SER A 43 88.883 -3.439 -7.667 1.00 0.00 H new ATOM 688 N THR A 44 92.809 -5.629 -5.405 1.00 0.00 N ATOM 689 CA THR A 44 94.263 -5.779 -5.083 1.00 0.00 C ATOM 690 C THR A 44 94.855 -6.967 -5.849 1.00 0.00 C ATOM 691 O THR A 44 94.198 -7.973 -6.051 1.00 0.00 O ATOM 692 CB THR A 44 94.322 -6.015 -3.564 1.00 0.00 C ATOM 693 OG1 THR A 44 95.677 -6.170 -3.167 1.00 0.00 O ATOM 694 CG2 THR A 44 93.532 -7.274 -3.182 1.00 0.00 C ATOM 0 H THR A 44 92.253 -6.476 -5.289 1.00 0.00 H new ATOM 0 HA THR A 44 94.842 -4.902 -5.372 1.00 0.00 H new ATOM 0 HB THR A 44 93.879 -5.158 -3.057 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.719 -6.319 -2.199 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.586 -7.424 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.490 -7.154 -3.480 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.958 -8.139 -3.690 1.00 0.00 H new ATOM 702 N LYS A 45 96.090 -6.855 -6.275 1.00 0.00 N ATOM 703 CA LYS A 45 96.722 -7.960 -7.058 1.00 0.00 C ATOM 704 C LYS A 45 98.205 -8.089 -6.705 1.00 0.00 C ATOM 705 O LYS A 45 98.890 -7.105 -6.495 1.00 0.00 O ATOM 706 CB LYS A 45 96.552 -7.558 -8.522 1.00 0.00 C ATOM 707 CG LYS A 45 95.101 -7.785 -8.944 1.00 0.00 C ATOM 708 CD LYS A 45 94.952 -7.497 -10.439 1.00 0.00 C ATOM 709 CE LYS A 45 93.481 -7.626 -10.841 1.00 0.00 C ATOM 710 NZ LYS A 45 93.348 -6.806 -12.077 1.00 0.00 N ATOM 0 H LYS A 45 96.687 -6.044 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 45 96.264 -8.926 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 45 96.822 -6.511 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.222 -8.144 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.805 -8.812 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.439 -7.136 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.315 -6.494 -10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.560 -8.193 -11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.212 -8.666 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 45 92.823 -7.262 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.365 -6.844 -12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 93.604 -5.820 -11.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 93.981 -7.181 -12.812 1.00 0.00 H new ATOM 724 N SER A 46 98.699 -9.301 -6.640 1.00 0.00 N ATOM 725 CA SER A 46 100.151 -9.514 -6.358 1.00 0.00 C ATOM 726 C SER A 46 100.870 -9.964 -7.632 1.00 0.00 C ATOM 727 O SER A 46 100.532 -10.976 -8.218 1.00 0.00 O ATOM 728 CB SER A 46 100.191 -10.618 -5.302 1.00 0.00 C ATOM 729 OG SER A 46 99.724 -11.833 -5.874 1.00 0.00 O ATOM 0 H SER A 46 98.156 -10.155 -6.771 1.00 0.00 H new ATOM 0 HA SER A 46 100.646 -8.605 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.208 -10.745 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.572 -10.343 -4.448 1.00 0.00 H new ATOM 0 HG SER A 46 99.654 -11.731 -6.846 1.00 0.00 H new ATOM 735 N ILE A 47 101.857 -9.216 -8.064 1.00 0.00 N ATOM 736 CA ILE A 47 102.587 -9.575 -9.320 1.00 0.00 C ATOM 737 C ILE A 47 104.094 -9.578 -9.050 1.00 0.00 C ATOM 738 O ILE A 47 104.632 -8.639 -8.494 1.00 0.00 O ATOM 739 CB ILE A 47 102.212 -8.483 -10.338 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.692 -8.471 -10.556 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.905 -8.761 -11.677 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.295 -7.214 -11.333 1.00 0.00 C ATOM 0 H ILE A 47 102.189 -8.371 -7.600 1.00 0.00 H new ATOM 0 HA ILE A 47 102.323 -10.565 -9.690 1.00 0.00 H new ATOM 0 HB ILE A 47 102.534 -7.516 -9.950 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.386 -9.362 -11.105 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.177 -8.495 -9.596 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.636 -7.985 -12.394 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.986 -8.764 -11.534 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.587 -9.732 -12.057 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.216 -7.207 -11.487 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.587 -6.329 -10.767 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.799 -7.209 -12.299 1.00 0.00 H new ATOM 754 N VAL A 48 104.775 -10.627 -9.444 1.00 0.00 N ATOM 755 CA VAL A 48 106.255 -10.685 -9.224 1.00 0.00 C ATOM 756 C VAL A 48 106.948 -9.722 -10.193 1.00 0.00 C ATOM 757 O VAL A 48 106.613 -9.657 -11.359 1.00 0.00 O ATOM 758 CB VAL A 48 106.677 -12.139 -9.497 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.163 -12.318 -9.153 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.828 -13.110 -8.656 1.00 0.00 C ATOM 0 H VAL A 48 104.373 -11.442 -9.906 1.00 0.00 H new ATOM 0 HA VAL A 48 106.532 -10.391 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 48 106.519 -12.360 -10.553 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.460 -13.349 -9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.762 -11.646 -9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.323 -12.087 -8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.138 -14.135 -8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.968 -12.892 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.776 -12.991 -8.915 1.00 0.00 H new ATOM 770 N THR A 49 107.913 -8.980 -9.715 1.00 0.00 N ATOM 771 CA THR A 49 108.527 -7.895 -10.550 1.00 0.00 C ATOM 772 C THR A 49 109.248 -8.469 -11.775 1.00 0.00 C ATOM 773 O THR A 49 109.417 -7.790 -12.769 1.00 0.00 O ATOM 774 CB THR A 49 109.519 -7.173 -9.632 1.00 0.00 C ATOM 775 OG1 THR A 49 110.467 -8.106 -9.136 1.00 0.00 O ATOM 776 CG2 THR A 49 108.771 -6.529 -8.462 1.00 0.00 C ATOM 0 H THR A 49 108.306 -9.076 -8.779 1.00 0.00 H new ATOM 0 HA THR A 49 107.763 -7.219 -10.934 1.00 0.00 H new ATOM 0 HB THR A 49 110.033 -6.396 -10.197 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.071 -8.612 -8.396 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.482 -6.017 -7.813 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.047 -5.810 -8.845 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.251 -7.300 -7.894 1.00 0.00 H new ATOM 784 N LYS A 50 109.677 -9.708 -11.715 1.00 0.00 N ATOM 785 CA LYS A 50 110.476 -10.288 -12.848 1.00 0.00 C ATOM 786 C LYS A 50 109.692 -10.216 -14.166 1.00 0.00 C ATOM 787 O LYS A 50 110.274 -10.195 -15.234 1.00 0.00 O ATOM 788 CB LYS A 50 110.742 -11.746 -12.459 1.00 0.00 C ATOM 789 CG LYS A 50 111.752 -12.359 -13.432 1.00 0.00 C ATOM 790 CD LYS A 50 113.155 -11.844 -13.104 1.00 0.00 C ATOM 791 CE LYS A 50 114.164 -12.458 -14.075 1.00 0.00 C ATOM 792 NZ LYS A 50 114.120 -11.584 -15.281 1.00 0.00 N ATOM 0 H LYS A 50 109.510 -10.343 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 50 111.402 -9.735 -13.007 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.126 -11.797 -11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.812 -12.314 -12.478 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.727 -13.446 -13.362 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.489 -12.100 -14.457 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.181 -10.757 -13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.418 -12.102 -12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 50 115.164 -12.483 -13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.898 -13.486 -14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.846 -11.891 -15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.182 -11.651 -15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.301 -10.599 -15.002 1.00 0.00 H new ATOM 806 N ASP A 51 108.383 -10.177 -14.096 1.00 0.00 N ATOM 807 CA ASP A 51 107.574 -10.015 -15.347 1.00 0.00 C ATOM 808 C ASP A 51 107.377 -8.528 -15.698 1.00 0.00 C ATOM 809 O ASP A 51 106.603 -8.200 -16.580 1.00 0.00 O ATOM 810 CB ASP A 51 106.226 -10.708 -15.077 1.00 0.00 C ATOM 811 CG ASP A 51 105.509 -10.080 -13.873 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.394 -8.867 -13.833 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.083 -10.831 -13.010 1.00 0.00 O ATOM 0 H ASP A 51 107.842 -10.250 -13.234 1.00 0.00 H new ATOM 0 HA ASP A 51 108.081 -10.460 -16.203 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.592 -10.633 -15.961 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.391 -11.770 -14.892 1.00 0.00 H new ATOM 818 N ILE A 52 108.064 -7.627 -15.024 1.00 0.00 N ATOM 819 CA ILE A 52 107.997 -6.181 -15.419 1.00 0.00 C ATOM 820 C ILE A 52 108.864 -5.940 -16.659 1.00 0.00 C ATOM 821 O ILE A 52 110.076 -6.046 -16.609 1.00 0.00 O ATOM 822 CB ILE A 52 108.538 -5.390 -14.212 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.593 -5.578 -13.014 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.646 -3.894 -14.566 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.189 -4.912 -11.766 1.00 0.00 C ATOM 0 H ILE A 52 108.663 -7.831 -14.224 1.00 0.00 H new ATOM 0 HA ILE A 52 106.982 -5.872 -15.669 1.00 0.00 H new ATOM 0 HB ILE A 52 109.530 -5.761 -13.953 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.618 -5.144 -13.237 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.434 -6.640 -12.829 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.029 -3.344 -13.707 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.324 -3.768 -15.410 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.661 -3.511 -14.832 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.513 -5.050 -10.922 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.153 -5.366 -11.537 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.325 -3.847 -11.952 1.00 0.00 H new ATOM 837 N LYS A 53 108.245 -5.618 -17.768 1.00 0.00 N ATOM 838 CA LYS A 53 109.029 -5.186 -18.967 1.00 0.00 C ATOM 839 C LYS A 53 109.413 -3.711 -18.840 1.00 0.00 C ATOM 840 O LYS A 53 110.516 -3.319 -19.178 1.00 0.00 O ATOM 841 CB LYS A 53 108.100 -5.391 -20.163 1.00 0.00 C ATOM 842 CG LYS A 53 108.867 -5.145 -21.465 1.00 0.00 C ATOM 843 CD LYS A 53 107.915 -5.279 -22.655 1.00 0.00 C ATOM 844 CE LYS A 53 108.704 -5.143 -23.958 1.00 0.00 C ATOM 845 NZ LYS A 53 107.912 -5.898 -24.969 1.00 0.00 N ATOM 0 H LYS A 53 107.233 -5.635 -17.895 1.00 0.00 H new ATOM 0 HA LYS A 53 109.953 -5.754 -19.074 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.698 -6.404 -20.153 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.251 -4.711 -20.096 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.313 -4.151 -21.454 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.684 -5.860 -21.558 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.409 -6.244 -22.623 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.142 -4.512 -22.604 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.815 -4.097 -24.245 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.708 -5.554 -23.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.399 -5.865 -25.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.814 -6.888 -24.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.969 -5.469 -25.062 1.00 0.00 H new ATOM 859 N ASP A 54 108.511 -2.893 -18.352 1.00 0.00 N ATOM 860 CA ASP A 54 108.768 -1.413 -18.338 1.00 0.00 C ATOM 861 C ASP A 54 108.010 -0.739 -17.192 1.00 0.00 C ATOM 862 O ASP A 54 106.903 -1.120 -16.866 1.00 0.00 O ATOM 863 CB ASP A 54 108.252 -0.900 -19.686 1.00 0.00 C ATOM 864 CG ASP A 54 109.164 -1.392 -20.811 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.369 -1.261 -20.671 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.641 -1.891 -21.794 1.00 0.00 O ATOM 0 H ASP A 54 107.613 -3.181 -17.965 1.00 0.00 H new ATOM 0 HA ASP A 54 109.825 -1.192 -18.190 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.233 -1.249 -19.852 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.219 0.189 -19.682 1.00 0.00 H new ATOM 871 N LEU A 55 108.601 0.264 -16.586 1.00 0.00 N ATOM 872 CA LEU A 55 107.955 0.934 -15.412 1.00 0.00 C ATOM 873 C LEU A 55 107.799 2.439 -15.661 1.00 0.00 C ATOM 874 O LEU A 55 108.642 3.064 -16.278 1.00 0.00 O ATOM 875 CB LEU A 55 108.914 0.701 -14.242 1.00 0.00 C ATOM 876 CG LEU A 55 108.827 -0.754 -13.776 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.155 -1.169 -13.138 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.706 -0.892 -12.741 1.00 0.00 C ATOM 0 H LEU A 55 109.506 0.649 -16.855 1.00 0.00 H new ATOM 0 HA LEU A 55 106.958 0.536 -15.223 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.935 0.934 -14.546 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.666 1.371 -13.419 1.00 0.00 H new ATOM 0 HG LEU A 55 108.618 -1.395 -14.632 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.091 -2.205 -12.807 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.957 -1.071 -13.870 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.364 -0.527 -12.282 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.643 -1.928 -12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.918 -0.249 -11.887 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.758 -0.597 -13.190 1.00 0.00 H new ATOM 890 N ARG A 56 106.724 3.019 -15.183 1.00 0.00 N ATOM 891 CA ARG A 56 106.585 4.508 -15.215 1.00 0.00 C ATOM 892 C ARG A 56 105.773 4.988 -14.003 1.00 0.00 C ATOM 893 O ARG A 56 105.035 4.226 -13.404 1.00 0.00 O ATOM 894 CB ARG A 56 105.856 4.826 -16.530 1.00 0.00 C ATOM 895 CG ARG A 56 104.439 4.235 -16.517 1.00 0.00 C ATOM 896 CD ARG A 56 103.734 4.559 -17.837 1.00 0.00 C ATOM 897 NE ARG A 56 104.493 3.810 -18.892 1.00 0.00 N ATOM 898 CZ ARG A 56 104.369 4.110 -20.172 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.573 5.072 -20.581 1.00 0.00 N ATOM 900 NH2 ARG A 56 105.051 3.430 -21.053 1.00 0.00 N ATOM 0 H ARG A 56 105.934 2.522 -14.771 1.00 0.00 H new ATOM 0 HA ARG A 56 107.550 5.013 -15.167 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.805 5.905 -16.672 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.418 4.420 -17.371 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.486 3.155 -16.374 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.872 4.643 -15.681 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.689 4.249 -17.810 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.743 5.631 -18.034 1.00 0.00 H new ATOM 0 HE ARG A 56 105.118 3.053 -18.615 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.031 5.609 -19.903 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.497 5.282 -21.576 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.670 2.678 -20.749 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.965 3.651 -22.045 1.00 0.00 H new ATOM 914 N ILE A 57 105.907 6.240 -13.643 1.00 0.00 N ATOM 915 CA ILE A 57 105.077 6.803 -12.530 1.00 0.00 C ATOM 916 C ILE A 57 104.100 7.837 -13.100 1.00 0.00 C ATOM 917 O ILE A 57 104.490 8.726 -13.834 1.00 0.00 O ATOM 918 CB ILE A 57 106.074 7.464 -11.561 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.090 6.422 -11.066 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.316 8.035 -10.357 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.218 7.122 -10.304 1.00 0.00 C ATOM 0 H ILE A 57 106.556 6.899 -14.072 1.00 0.00 H new ATOM 0 HA ILE A 57 104.486 6.041 -12.022 1.00 0.00 H new ATOM 0 HB ILE A 57 106.599 8.265 -12.082 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.596 5.697 -10.419 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.498 5.868 -11.911 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.022 8.503 -9.671 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.596 8.778 -10.699 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.790 7.230 -9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.936 6.380 -9.955 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.719 7.829 -10.965 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.803 7.656 -9.449 1.00 0.00 H new ATOM 933 N LEU A 58 102.836 7.725 -12.765 1.00 0.00 N ATOM 934 CA LEU A 58 101.813 8.632 -13.376 1.00 0.00 C ATOM 935 C LEU A 58 101.733 9.948 -12.583 1.00 0.00 C ATOM 936 O LEU A 58 101.951 9.947 -11.387 1.00 0.00 O ATOM 937 CB LEU A 58 100.484 7.871 -13.288 1.00 0.00 C ATOM 938 CG LEU A 58 100.566 6.581 -14.112 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.425 5.645 -13.709 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.451 6.910 -15.601 1.00 0.00 C ATOM 0 H LEU A 58 102.470 7.047 -12.097 1.00 0.00 H new ATOM 0 HA LEU A 58 102.060 8.891 -14.406 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.258 7.635 -12.248 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.671 8.497 -13.656 1.00 0.00 H new ATOM 0 HG LEU A 58 101.523 6.094 -13.923 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.483 4.728 -14.295 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.509 5.405 -12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.469 6.135 -13.896 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.510 5.990 -16.183 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.496 7.400 -15.793 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.265 7.575 -15.891 1.00 0.00 H new