USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 511 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 31 THR OG1 : rot -170:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= 0.0518 K(o=0.052,f=-6.1!) USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.92! C(o=-4.3!,f=-1.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -168:sc= -0.0125 (180deg=-0.162) USER MOD Single : A 30 ASN : amide:sc= -0.0357 X(o=-0.036,f=-0.044) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 CYS SG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.353 K(o=-0.35,f=-1.4!) USER MOD Single : A 45 ASN : amide:sc= -3.67! C(o=-3.7!,f=-3.9!) USER MOD Single : A 46 ASN :FLIP amide:sc= -0.208 F(o=-1.2,f=-0.21) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 54 LYS NZ :NH3+ 172:sc= 1.03 (180deg=0.912) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.33) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 68 LYS NZ :NH3+ -138:sc= -0.0477 (180deg=-0.362) USER MOD ----------------------------------------------------------------- ATOM 149 N PRO A 10 -4.503 -10.052 -6.454 1.00 21.54 N ATOM 150 CA PRO A 10 -3.069 -9.746 -6.306 1.00 23.21 C ATOM 151 C PRO A 10 -2.594 -9.924 -4.852 1.00 52.12 C ATOM 152 O PRO A 10 -1.635 -10.657 -4.584 1.00 1.24 O ATOM 153 CB PRO A 10 -2.987 -8.268 -6.733 1.00 44.34 C ATOM 154 CG PRO A 10 -4.115 -8.100 -7.682 1.00 75.42 C ATOM 155 CD PRO A 10 -5.220 -8.964 -7.161 1.00 22.42 C ATOM 0 HA PRO A 10 -2.433 -10.407 -6.895 1.00 23.21 H new ATOM 0 HB2 PRO A 10 -3.084 -7.600 -5.877 1.00 44.34 H new ATOM 0 HB3 PRO A 10 -2.031 -8.043 -7.206 1.00 44.34 H new ATOM 0 HG2 PRO A 10 -4.427 -7.057 -7.737 1.00 75.42 H new ATOM 0 HG3 PRO A 10 -3.826 -8.400 -8.689 1.00 75.42 H new ATOM 0 HD2 PRO A 10 -5.877 -8.413 -6.488 1.00 22.42 H new ATOM 0 HD3 PRO A 10 -5.842 -9.351 -7.968 1.00 22.42 H new ATOM 163 N CYS A 11 -3.282 -9.284 -3.932 1.00 2.10 N ATOM 164 CA CYS A 11 -2.971 -9.380 -2.525 1.00 74.14 C ATOM 165 C CYS A 11 -4.136 -9.903 -1.728 1.00 72.21 C ATOM 166 O CYS A 11 -5.134 -9.202 -1.512 1.00 5.20 O ATOM 167 CB CYS A 11 -2.507 -8.047 -1.959 1.00 71.32 C ATOM 168 SG CYS A 11 -0.877 -7.521 -2.543 1.00 75.24 S ATOM 0 H CYS A 11 -4.077 -8.680 -4.141 1.00 2.10 H new ATOM 0 HA CYS A 11 -2.152 -10.093 -2.438 1.00 74.14 H new ATOM 0 HB2 CYS A 11 -3.238 -7.281 -2.218 1.00 71.32 H new ATOM 0 HB3 CYS A 11 -2.487 -8.114 -0.871 1.00 71.32 H new ATOM 173 N ARG A 12 -4.026 -11.143 -1.316 1.00 40.53 N ATOM 174 CA ARG A 12 -5.035 -11.765 -0.488 1.00 24.13 C ATOM 175 C ARG A 12 -4.888 -11.266 0.948 1.00 61.23 C ATOM 176 O ARG A 12 -5.874 -11.062 1.668 1.00 23.11 O ATOM 177 CB ARG A 12 -4.881 -13.297 -0.541 1.00 43.54 C ATOM 178 CG ARG A 12 -5.900 -14.071 0.284 1.00 42.25 C ATOM 179 CD ARG A 12 -7.315 -13.794 -0.184 1.00 31.43 C ATOM 180 NE ARG A 12 -8.301 -14.542 0.585 1.00 53.23 N ATOM 181 CZ ARG A 12 -9.619 -14.353 0.509 1.00 35.34 C ATOM 182 NH1 ARG A 12 -10.111 -13.428 -0.313 1.00 13.33 N ATOM 183 NH2 ARG A 12 -10.442 -15.085 1.253 1.00 21.31 N ATOM 0 H ARG A 12 -3.238 -11.749 -1.543 1.00 40.53 H new ATOM 0 HA ARG A 12 -6.026 -11.502 -0.857 1.00 24.13 H new ATOM 0 HB2 ARG A 12 -4.955 -13.620 -1.580 1.00 43.54 H new ATOM 0 HB3 ARG A 12 -3.881 -13.560 -0.196 1.00 43.54 H new ATOM 0 HG2 ARG A 12 -5.694 -15.139 0.212 1.00 42.25 H new ATOM 0 HG3 ARG A 12 -5.803 -13.798 1.335 1.00 42.25 H new ATOM 0 HD2 ARG A 12 -7.523 -12.727 -0.099 1.00 31.43 H new ATOM 0 HD3 ARG A 12 -7.405 -14.053 -1.239 1.00 31.43 H new ATOM 0 HE ARG A 12 -7.960 -15.259 1.225 1.00 53.23 H new ATOM 0 HH11 ARG A 12 -9.480 -12.865 -0.883 1.00 13.33 H new ATOM 0 HH12 ARG A 12 -11.119 -13.282 -0.372 1.00 13.33 H new ATOM 0 HH21 ARG A 12 -10.066 -15.793 1.884 1.00 21.31 H new ATOM 0 HH22 ARG A 12 -11.450 -14.939 1.193 1.00 21.31 H new ATOM 197 N PHE A 13 -3.659 -11.042 1.337 1.00 14.40 N ATOM 198 CA PHE A 13 -3.347 -10.605 2.671 1.00 54.32 C ATOM 199 C PHE A 13 -2.588 -9.300 2.611 1.00 2.44 C ATOM 200 O PHE A 13 -2.046 -8.942 1.566 1.00 41.14 O ATOM 201 CB PHE A 13 -2.504 -11.671 3.409 1.00 24.41 C ATOM 202 CG PHE A 13 -1.143 -11.933 2.787 1.00 74.45 C ATOM 203 CD1 PHE A 13 -1.001 -12.829 1.737 1.00 61.14 C ATOM 204 CD2 PHE A 13 -0.009 -11.274 3.256 1.00 14.44 C ATOM 205 CE1 PHE A 13 0.236 -13.061 1.171 1.00 43.54 C ATOM 206 CE2 PHE A 13 1.226 -11.504 2.693 1.00 34.35 C ATOM 207 CZ PHE A 13 1.350 -12.397 1.648 1.00 65.31 C ATOM 0 H PHE A 13 -2.844 -11.158 0.734 1.00 14.40 H new ATOM 0 HA PHE A 13 -4.277 -10.460 3.220 1.00 54.32 H new ATOM 0 HB2 PHE A 13 -2.363 -11.354 4.442 1.00 24.41 H new ATOM 0 HB3 PHE A 13 -3.064 -12.606 3.436 1.00 24.41 H new ATOM 0 HD1 PHE A 13 -1.868 -13.350 1.359 1.00 61.14 H new ATOM 0 HD2 PHE A 13 -0.100 -10.573 4.073 1.00 14.44 H new ATOM 0 HE1 PHE A 13 0.333 -13.762 0.355 1.00 43.54 H new ATOM 0 HE2 PHE A 13 2.096 -10.987 3.068 1.00 34.35 H new ATOM 0 HZ PHE A 13 2.318 -12.577 1.203 1.00 65.31 H new ATOM 217 N PHE A 14 -2.572 -8.605 3.706 1.00 42.23 N ATOM 218 CA PHE A 14 -1.831 -7.378 3.856 1.00 44.42 C ATOM 219 C PHE A 14 -1.118 -7.453 5.185 1.00 14.44 C ATOM 220 O PHE A 14 -1.598 -8.110 6.109 1.00 44.54 O ATOM 221 CB PHE A 14 -2.766 -6.171 3.856 1.00 41.44 C ATOM 222 CG PHE A 14 -3.669 -6.039 2.655 1.00 4.44 C ATOM 223 CD1 PHE A 14 -3.162 -5.681 1.426 1.00 22.14 C ATOM 224 CD2 PHE A 14 -5.031 -6.265 2.770 1.00 3.33 C ATOM 225 CE1 PHE A 14 -3.985 -5.550 0.332 1.00 3.21 C ATOM 226 CE2 PHE A 14 -5.861 -6.136 1.680 1.00 73.45 C ATOM 227 CZ PHE A 14 -5.339 -5.779 0.458 1.00 61.00 C ATOM 0 H PHE A 14 -3.085 -8.877 4.545 1.00 42.23 H new ATOM 0 HA PHE A 14 -1.132 -7.260 3.028 1.00 44.42 H new ATOM 0 HB2 PHE A 14 -3.387 -6.217 4.751 1.00 41.44 H new ATOM 0 HB3 PHE A 14 -2.162 -5.267 3.933 1.00 41.44 H new ATOM 0 HD1 PHE A 14 -2.103 -5.500 1.320 1.00 22.14 H new ATOM 0 HD2 PHE A 14 -5.446 -6.546 3.727 1.00 3.33 H new ATOM 0 HE1 PHE A 14 -3.571 -5.268 -0.625 1.00 3.21 H new ATOM 0 HE2 PHE A 14 -6.921 -6.315 1.784 1.00 73.45 H new ATOM 0 HZ PHE A 14 -5.988 -5.678 -0.400 1.00 61.00 H new ATOM 237 N GLU A 15 0.003 -6.826 5.283 1.00 22.21 N ATOM 238 CA GLU A 15 0.765 -6.817 6.473 1.00 61.10 C ATOM 239 C GLU A 15 0.276 -5.593 7.279 1.00 52.21 C ATOM 240 O GLU A 15 0.007 -4.535 6.697 1.00 32.23 O ATOM 241 CB GLU A 15 2.232 -6.701 6.047 1.00 41.12 C ATOM 242 CG GLU A 15 3.265 -7.270 6.993 1.00 14.02 C ATOM 243 CD GLU A 15 3.354 -6.606 8.328 1.00 62.40 C ATOM 244 OE1 GLU A 15 2.554 -6.934 9.226 1.00 32.20 O ATOM 245 OE2 GLU A 15 4.241 -5.779 8.517 1.00 1.41 O ATOM 0 H GLU A 15 0.420 -6.295 4.519 1.00 22.21 H new ATOM 0 HA GLU A 15 0.660 -7.708 7.092 1.00 61.10 H new ATOM 0 HB2 GLU A 15 2.346 -7.196 5.083 1.00 41.12 H new ATOM 0 HB3 GLU A 15 2.458 -5.646 5.892 1.00 41.12 H new ATOM 0 HG2 GLU A 15 3.047 -8.327 7.147 1.00 14.02 H new ATOM 0 HG3 GLU A 15 4.242 -7.212 6.513 1.00 14.02 H new ATOM 252 N SER A 16 0.140 -5.738 8.575 1.00 61.33 N ATOM 253 CA SER A 16 -0.449 -4.698 9.390 1.00 4.11 C ATOM 254 C SER A 16 0.527 -4.106 10.424 1.00 2.51 C ATOM 255 O SER A 16 0.172 -3.193 11.169 1.00 51.35 O ATOM 256 CB SER A 16 -1.692 -5.262 10.073 1.00 3.40 C ATOM 257 OG SER A 16 -1.367 -6.452 10.797 1.00 52.13 O ATOM 0 H SER A 16 0.430 -6.569 9.091 1.00 61.33 H new ATOM 0 HA SER A 16 -0.716 -3.868 8.735 1.00 4.11 H new ATOM 0 HB2 SER A 16 -2.111 -4.519 10.752 1.00 3.40 H new ATOM 0 HB3 SER A 16 -2.457 -5.480 9.328 1.00 3.40 H new ATOM 0 HG SER A 16 -2.173 -6.801 11.231 1.00 52.13 H new ATOM 263 N HIS A 17 1.738 -4.617 10.474 1.00 35.55 N ATOM 264 CA HIS A 17 2.738 -4.121 11.427 1.00 43.23 C ATOM 265 C HIS A 17 3.818 -3.392 10.657 1.00 34.14 C ATOM 266 O HIS A 17 4.931 -3.182 11.151 1.00 50.51 O ATOM 267 CB HIS A 17 3.369 -5.290 12.220 1.00 24.22 C ATOM 268 CG HIS A 17 2.389 -6.127 13.000 1.00 21.31 C ATOM 269 ND1 HIS A 17 2.160 -5.973 14.347 1.00 40.13 N ATOM 270 CD2 HIS A 17 1.592 -7.150 12.608 1.00 71.33 C ATOM 271 CE1 HIS A 17 1.268 -6.854 14.744 1.00 72.32 C ATOM 272 NE2 HIS A 17 0.909 -7.579 13.709 1.00 63.32 N ATOM 0 H HIS A 17 2.064 -5.374 9.873 1.00 35.55 H new ATOM 0 HA HIS A 17 2.255 -3.449 12.136 1.00 43.23 H new ATOM 0 HB2 HIS A 17 3.903 -5.936 11.523 1.00 24.22 H new ATOM 0 HB3 HIS A 17 4.109 -4.885 12.910 1.00 24.22 H new ATOM 0 HD2 HIS A 17 1.512 -7.552 11.609 1.00 71.33 H new ATOM 0 HE1 HIS A 17 0.894 -6.963 15.751 1.00 72.32 H new ATOM 0 HE2 HIS A 17 0.230 -8.340 13.726 1.00 63.32 H new ATOM 281 N VAL A 18 3.459 -2.979 9.461 1.00 44.42 N ATOM 282 CA VAL A 18 4.374 -2.365 8.524 1.00 32.52 C ATOM 283 C VAL A 18 4.905 -1.031 9.030 1.00 2.20 C ATOM 284 O VAL A 18 4.131 -0.136 9.366 1.00 55.42 O ATOM 285 CB VAL A 18 3.708 -2.136 7.146 1.00 1.53 C ATOM 286 CG1 VAL A 18 4.716 -1.617 6.148 1.00 3.12 C ATOM 287 CG2 VAL A 18 3.065 -3.402 6.630 1.00 23.44 C ATOM 0 H VAL A 18 2.506 -3.062 9.106 1.00 44.42 H new ATOM 0 HA VAL A 18 5.205 -3.063 8.420 1.00 32.52 H new ATOM 0 HB VAL A 18 2.926 -1.388 7.276 1.00 1.53 H new ATOM 0 HG11 VAL A 18 4.229 -1.462 5.185 1.00 3.12 H new ATOM 0 HG12 VAL A 18 5.126 -0.672 6.503 1.00 3.12 H new ATOM 0 HG13 VAL A 18 5.522 -2.342 6.034 1.00 3.12 H new ATOM 0 HG21 VAL A 18 2.606 -3.208 5.661 1.00 23.44 H new ATOM 0 HG22 VAL A 18 3.823 -4.178 6.524 1.00 23.44 H new ATOM 0 HG23 VAL A 18 2.301 -3.735 7.333 1.00 23.44 H new ATOM 297 N ALA A 19 6.208 -0.925 9.096 1.00 52.42 N ATOM 298 CA ALA A 19 6.877 0.306 9.443 1.00 43.02 C ATOM 299 C ALA A 19 7.372 0.951 8.157 1.00 11.41 C ATOM 300 O ALA A 19 7.953 0.269 7.312 1.00 23.45 O ATOM 301 CB ALA A 19 8.045 0.014 10.366 1.00 13.42 C ATOM 0 H ALA A 19 6.843 -1.700 8.908 1.00 52.42 H new ATOM 0 HA ALA A 19 6.193 0.979 9.960 1.00 43.02 H new ATOM 0 HB1 ALA A 19 8.546 0.947 10.625 1.00 13.42 H new ATOM 0 HB2 ALA A 19 7.680 -0.466 11.274 1.00 13.42 H new ATOM 0 HB3 ALA A 19 8.749 -0.649 9.863 1.00 13.42 H new ATOM 307 N ARG A 20 7.157 2.245 8.006 1.00 2.32 N ATOM 308 CA ARG A 20 7.537 2.951 6.773 1.00 73.22 C ATOM 309 C ARG A 20 9.044 2.939 6.529 1.00 1.01 C ATOM 310 O ARG A 20 9.497 2.845 5.386 1.00 14.24 O ATOM 311 CB ARG A 20 7.003 4.378 6.771 1.00 64.24 C ATOM 312 CG ARG A 20 7.352 5.165 5.516 1.00 22.25 C ATOM 313 CD ARG A 20 6.664 6.504 5.512 1.00 41.25 C ATOM 314 NE ARG A 20 7.005 7.301 4.331 1.00 22.25 N ATOM 315 CZ ARG A 20 6.632 8.569 4.144 1.00 23.41 C ATOM 316 NH1 ARG A 20 5.866 9.187 5.046 1.00 10.24 N ATOM 317 NH2 ARG A 20 7.019 9.212 3.052 1.00 73.42 N ATOM 0 H ARG A 20 6.723 2.837 8.714 1.00 2.32 H new ATOM 0 HA ARG A 20 7.077 2.405 5.949 1.00 73.22 H new ATOM 0 HB2 ARG A 20 5.919 4.350 6.881 1.00 64.24 H new ATOM 0 HB3 ARG A 20 7.398 4.905 7.640 1.00 64.24 H new ATOM 0 HG2 ARG A 20 8.431 5.306 5.459 1.00 22.25 H new ATOM 0 HG3 ARG A 20 7.058 4.598 4.633 1.00 22.25 H new ATOM 0 HD2 ARG A 20 5.585 6.356 5.548 1.00 41.25 H new ATOM 0 HD3 ARG A 20 6.940 7.055 6.411 1.00 41.25 H new ATOM 0 HE ARG A 20 7.565 6.857 3.603 1.00 22.25 H new ATOM 0 HH11 ARG A 20 5.563 8.690 5.884 1.00 10.24 H new ATOM 0 HH12 ARG A 20 5.584 10.156 4.898 1.00 10.24 H new ATOM 0 HH21 ARG A 20 7.599 8.738 2.360 1.00 73.42 H new ATOM 0 HH22 ARG A 20 6.737 10.181 2.904 1.00 73.42 H new ATOM 331 N ALA A 21 9.812 2.995 7.593 1.00 44.42 N ATOM 332 CA ALA A 21 11.272 3.001 7.502 1.00 32.42 C ATOM 333 C ALA A 21 11.797 1.626 7.088 1.00 55.24 C ATOM 334 O ALA A 21 12.962 1.469 6.739 1.00 33.44 O ATOM 335 CB ALA A 21 11.874 3.413 8.836 1.00 22.31 C ATOM 0 H ALA A 21 9.454 3.038 8.547 1.00 44.42 H new ATOM 0 HA ALA A 21 11.567 3.722 6.740 1.00 32.42 H new ATOM 0 HB1 ALA A 21 12.961 3.415 8.759 1.00 22.31 H new ATOM 0 HB2 ALA A 21 11.527 4.412 9.099 1.00 22.31 H new ATOM 0 HB3 ALA A 21 11.566 2.708 9.608 1.00 22.31 H new ATOM 341 N ASN A 22 10.928 0.661 7.114 1.00 11.42 N ATOM 342 CA ASN A 22 11.264 -0.704 6.788 1.00 3.51 C ATOM 343 C ASN A 22 10.889 -1.040 5.333 1.00 72.44 C ATOM 344 O ASN A 22 11.311 -2.064 4.791 1.00 74.31 O ATOM 345 CB ASN A 22 10.595 -1.630 7.841 1.00 2.53 C ATOM 346 CG ASN A 22 10.684 -3.116 7.590 1.00 52.15 C ATOM 347 OD1 ASN A 22 9.608 -3.682 7.147 1.00 62.20 O flip ATOM 348 ND2 ASN A 22 11.694 -3.767 7.897 1.00 22.01 N flip ATOM 0 H ASN A 22 9.949 0.796 7.365 1.00 11.42 H new ATOM 0 HA ASN A 22 12.342 -0.860 6.837 1.00 3.51 H new ATOM 0 HB2 ASN A 22 11.044 -1.421 8.812 1.00 2.53 H new ATOM 0 HB3 ASN A 22 9.542 -1.359 7.912 1.00 2.53 H new ATOM 0 HD21 ASN A 22 12.525 -3.287 8.243 1.00 22.01 H new ATOM 0 HD22 ASN A 22 11.694 -4.783 7.803 1.00 22.01 H new ATOM 355 N VAL A 23 10.140 -0.140 4.692 1.00 74.11 N ATOM 356 CA VAL A 23 9.704 -0.332 3.311 1.00 1.33 C ATOM 357 C VAL A 23 10.594 0.462 2.334 1.00 75.31 C ATOM 358 O VAL A 23 10.976 1.599 2.617 1.00 34.31 O ATOM 359 CB VAL A 23 8.222 0.099 3.129 1.00 41.12 C ATOM 360 CG1 VAL A 23 7.754 -0.134 1.715 1.00 64.02 C ATOM 361 CG2 VAL A 23 7.331 -0.634 4.102 1.00 2.51 C ATOM 0 H VAL A 23 9.822 0.733 5.112 1.00 74.11 H new ATOM 0 HA VAL A 23 9.794 -1.395 3.087 1.00 1.33 H new ATOM 0 HB VAL A 23 8.160 1.168 3.334 1.00 41.12 H new ATOM 0 HG11 VAL A 23 6.714 0.177 1.620 1.00 64.02 H new ATOM 0 HG12 VAL A 23 8.370 0.445 1.028 1.00 64.02 H new ATOM 0 HG13 VAL A 23 7.839 -1.194 1.474 1.00 64.02 H new ATOM 0 HG21 VAL A 23 6.298 -0.318 3.958 1.00 2.51 H new ATOM 0 HG22 VAL A 23 7.410 -1.707 3.930 1.00 2.51 H new ATOM 0 HG23 VAL A 23 7.641 -0.407 5.122 1.00 2.51 H new ATOM 371 N LYS A 24 10.929 -0.150 1.199 1.00 65.54 N ATOM 372 CA LYS A 24 11.741 0.495 0.168 1.00 5.14 C ATOM 373 C LYS A 24 10.867 1.195 -0.842 1.00 35.44 C ATOM 374 O LYS A 24 11.219 2.242 -1.369 1.00 21.42 O ATOM 375 CB LYS A 24 12.605 -0.527 -0.609 1.00 30.42 C ATOM 376 CG LYS A 24 11.793 -1.592 -1.344 1.00 4.04 C ATOM 377 CD LYS A 24 12.577 -2.347 -2.391 1.00 52.44 C ATOM 378 CE LYS A 24 13.066 -1.408 -3.465 1.00 42.42 C ATOM 379 NZ LYS A 24 13.724 -2.134 -4.578 1.00 1.12 N ATOM 0 H LYS A 24 10.647 -1.103 0.969 1.00 65.54 H new ATOM 0 HA LYS A 24 12.384 1.205 0.688 1.00 5.14 H new ATOM 0 HB2 LYS A 24 13.222 0.008 -1.331 1.00 30.42 H new ATOM 0 HB3 LYS A 24 13.284 -1.018 0.088 1.00 30.42 H new ATOM 0 HG2 LYS A 24 11.401 -2.302 -0.616 1.00 4.04 H new ATOM 0 HG3 LYS A 24 10.935 -1.117 -1.820 1.00 4.04 H new ATOM 0 HD2 LYS A 24 13.425 -2.850 -1.926 1.00 52.44 H new ATOM 0 HD3 LYS A 24 11.951 -3.121 -2.834 1.00 52.44 H new ATOM 0 HE2 LYS A 24 12.226 -0.832 -3.854 1.00 42.42 H new ATOM 0 HE3 LYS A 24 13.768 -0.695 -3.032 1.00 42.42 H new ATOM 0 HZ1 LYS A 24 14.046 -1.453 -5.295 1.00 1.12 H new ATOM 0 HZ2 LYS A 24 14.541 -2.663 -4.212 1.00 1.12 H new ATOM 0 HZ3 LYS A 24 13.047 -2.796 -5.009 1.00 1.12 H new ATOM 393 N HIS A 25 9.726 0.615 -1.106 1.00 44.34 N ATOM 394 CA HIS A 25 8.916 1.044 -2.209 1.00 22.34 C ATOM 395 C HIS A 25 7.494 0.542 -2.089 1.00 32.45 C ATOM 396 O HIS A 25 7.279 -0.624 -1.781 1.00 33.43 O ATOM 397 CB HIS A 25 9.574 0.496 -3.485 1.00 45.32 C ATOM 398 CG HIS A 25 8.811 0.675 -4.742 1.00 11.44 C ATOM 399 ND1 HIS A 25 8.271 1.872 -5.162 1.00 24.23 N ATOM 400 CD2 HIS A 25 8.466 -0.236 -5.651 1.00 21.53 C ATOM 401 CE1 HIS A 25 7.614 1.672 -6.284 1.00 60.42 C ATOM 402 NE2 HIS A 25 7.718 0.397 -6.602 1.00 30.35 N ATOM 0 H HIS A 25 9.337 -0.159 -0.568 1.00 44.34 H new ATOM 0 HA HIS A 25 8.858 2.132 -2.229 1.00 22.34 H new ATOM 0 HB2 HIS A 25 10.546 0.976 -3.603 1.00 45.32 H new ATOM 0 HB3 HIS A 25 9.759 -0.569 -3.345 1.00 45.32 H new ATOM 0 HD2 HIS A 25 8.730 -1.283 -5.638 1.00 21.53 H new ATOM 0 HE1 HIS A 25 7.081 2.423 -6.848 1.00 60.42 H new ATOM 0 HE2 HIS A 25 7.307 -0.045 -7.424 1.00 30.35 H new ATOM 411 N LEU A 26 6.542 1.426 -2.346 1.00 21.05 N ATOM 412 CA LEU A 26 5.132 1.076 -2.335 1.00 71.12 C ATOM 413 C LEU A 26 4.574 1.194 -3.746 1.00 54.12 C ATOM 414 O LEU A 26 4.948 2.100 -4.489 1.00 51.44 O ATOM 415 CB LEU A 26 4.293 1.982 -1.390 1.00 21.51 C ATOM 416 CG LEU A 26 4.624 1.997 0.118 1.00 1.54 C ATOM 417 CD1 LEU A 26 5.951 2.688 0.413 1.00 23.14 C ATOM 418 CD2 LEU A 26 3.497 2.647 0.897 1.00 61.11 C ATOM 0 H LEU A 26 6.726 2.405 -2.568 1.00 21.05 H new ATOM 0 HA LEU A 26 5.059 0.054 -1.964 1.00 71.12 H new ATOM 0 HB2 LEU A 26 4.376 3.005 -1.756 1.00 21.51 H new ATOM 0 HB3 LEU A 26 3.248 1.690 -1.495 1.00 21.51 H new ATOM 0 HG LEU A 26 4.728 0.960 0.438 1.00 1.54 H new ATOM 0 HD11 LEU A 26 6.139 2.672 1.487 1.00 23.14 H new ATOM 0 HD12 LEU A 26 6.756 2.165 -0.104 1.00 23.14 H new ATOM 0 HD13 LEU A 26 5.908 3.721 0.067 1.00 23.14 H new ATOM 0 HD21 LEU A 26 3.744 2.651 1.959 1.00 61.11 H new ATOM 0 HD22 LEU A 26 3.360 3.672 0.552 1.00 61.11 H new ATOM 0 HD23 LEU A 26 2.576 2.086 0.741 1.00 61.11 H new ATOM 430 N LYS A 27 3.717 0.285 -4.108 1.00 34.20 N ATOM 431 CA LYS A 27 3.056 0.271 -5.394 1.00 44.54 C ATOM 432 C LYS A 27 1.631 -0.186 -5.134 1.00 40.43 C ATOM 433 O LYS A 27 1.399 -1.347 -4.823 1.00 40.24 O ATOM 434 CB LYS A 27 3.790 -0.723 -6.339 1.00 2.21 C ATOM 435 CG LYS A 27 3.439 -0.635 -7.843 1.00 74.44 C ATOM 436 CD LYS A 27 2.033 -1.134 -8.177 1.00 2.41 C ATOM 437 CE LYS A 27 1.906 -2.639 -7.959 1.00 41.31 C ATOM 438 NZ LYS A 27 2.735 -3.419 -8.914 1.00 33.02 N ATOM 0 H LYS A 27 3.446 -0.492 -3.505 1.00 34.20 H new ATOM 0 HA LYS A 27 3.066 1.251 -5.871 1.00 44.54 H new ATOM 0 HB2 LYS A 27 4.863 -0.568 -6.230 1.00 2.21 H new ATOM 0 HB3 LYS A 27 3.578 -1.737 -5.998 1.00 2.21 H new ATOM 0 HG2 LYS A 27 3.534 0.401 -8.169 1.00 74.44 H new ATOM 0 HG3 LYS A 27 4.165 -1.216 -8.411 1.00 74.44 H new ATOM 0 HD2 LYS A 27 1.304 -0.613 -7.556 1.00 2.41 H new ATOM 0 HD3 LYS A 27 1.798 -0.895 -9.214 1.00 2.41 H new ATOM 0 HE2 LYS A 27 2.204 -2.883 -6.939 1.00 41.31 H new ATOM 0 HE3 LYS A 27 0.861 -2.932 -8.064 1.00 41.31 H new ATOM 0 HZ1 LYS A 27 2.467 -4.423 -8.867 1.00 33.02 H new ATOM 0 HZ2 LYS A 27 2.580 -3.064 -9.879 1.00 33.02 H new ATOM 0 HZ3 LYS A 27 3.740 -3.317 -8.665 1.00 33.02 H new ATOM 452 N ILE A 28 0.701 0.709 -5.215 1.00 13.04 N ATOM 453 CA ILE A 28 -0.670 0.369 -4.899 1.00 14.43 C ATOM 454 C ILE A 28 -1.443 -0.041 -6.159 1.00 5.20 C ATOM 455 O ILE A 28 -1.423 0.663 -7.171 1.00 4.45 O ATOM 456 CB ILE A 28 -1.404 1.519 -4.167 1.00 34.02 C ATOM 457 CG1 ILE A 28 -0.565 1.998 -2.977 1.00 10.21 C ATOM 458 CG2 ILE A 28 -2.740 1.010 -3.654 1.00 54.04 C ATOM 459 CD1 ILE A 28 -1.216 3.087 -2.138 1.00 22.41 C ATOM 0 H ILE A 28 0.852 1.678 -5.494 1.00 13.04 H new ATOM 0 HA ILE A 28 -0.633 -0.482 -4.220 1.00 14.43 H new ATOM 0 HB ILE A 28 -1.557 2.346 -4.860 1.00 34.02 H new ATOM 0 HG12 ILE A 28 -0.349 1.144 -2.335 1.00 10.21 H new ATOM 0 HG13 ILE A 28 0.391 2.367 -3.349 1.00 10.21 H new ATOM 0 HG21 ILE A 28 -3.262 1.815 -3.137 1.00 54.04 H new ATOM 0 HG22 ILE A 28 -3.344 0.665 -4.493 1.00 54.04 H new ATOM 0 HG23 ILE A 28 -2.573 0.184 -2.963 1.00 54.04 H new ATOM 0 HD11 ILE A 28 -0.551 3.363 -1.320 1.00 22.41 H new ATOM 0 HD12 ILE A 28 -1.407 3.961 -2.761 1.00 22.41 H new ATOM 0 HD13 ILE A 28 -2.158 2.719 -1.731 1.00 22.41 H new ATOM 471 N LEU A 29 -2.085 -1.181 -6.085 1.00 51.34 N ATOM 472 CA LEU A 29 -2.852 -1.764 -7.165 1.00 3.43 C ATOM 473 C LEU A 29 -4.338 -1.824 -6.792 1.00 1.32 C ATOM 474 O LEU A 29 -4.725 -2.494 -5.844 1.00 12.25 O ATOM 475 CB LEU A 29 -2.306 -3.168 -7.468 1.00 35.43 C ATOM 476 CG LEU A 29 -3.026 -3.989 -8.543 1.00 23.04 C ATOM 477 CD1 LEU A 29 -3.167 -3.196 -9.834 1.00 60.24 C ATOM 478 CD2 LEU A 29 -2.242 -5.258 -8.810 1.00 73.11 C ATOM 0 H LEU A 29 -2.089 -1.752 -5.240 1.00 51.34 H new ATOM 0 HA LEU A 29 -2.758 -1.145 -8.057 1.00 3.43 H new ATOM 0 HB2 LEU A 29 -1.262 -3.066 -7.765 1.00 35.43 H new ATOM 0 HB3 LEU A 29 -2.319 -3.742 -6.541 1.00 35.43 H new ATOM 0 HG LEU A 29 -4.025 -4.234 -8.182 1.00 23.04 H new ATOM 0 HD11 LEU A 29 -3.681 -3.803 -10.579 1.00 60.24 H new ATOM 0 HD12 LEU A 29 -3.742 -2.290 -9.644 1.00 60.24 H new ATOM 0 HD13 LEU A 29 -2.178 -2.926 -10.205 1.00 60.24 H new ATOM 0 HD21 LEU A 29 -2.750 -5.846 -9.574 1.00 73.11 H new ATOM 0 HD22 LEU A 29 -1.241 -5.001 -9.156 1.00 73.11 H new ATOM 0 HD23 LEU A 29 -2.170 -5.841 -7.892 1.00 73.11 H new ATOM 490 N ASN A 30 -5.154 -1.123 -7.528 1.00 52.12 N ATOM 491 CA ASN A 30 -6.584 -1.098 -7.257 1.00 23.21 C ATOM 492 C ASN A 30 -7.348 -2.040 -8.179 1.00 10.51 C ATOM 493 O ASN A 30 -7.253 -1.948 -9.404 1.00 30.00 O ATOM 494 CB ASN A 30 -7.147 0.340 -7.325 1.00 31.23 C ATOM 495 CG ASN A 30 -6.897 1.032 -8.656 1.00 2.52 C ATOM 496 OD1 ASN A 30 -5.876 1.682 -8.837 1.00 25.24 O ATOM 497 ND2 ASN A 30 -7.819 0.915 -9.580 1.00 50.45 N ATOM 0 H ASN A 30 -4.863 -0.556 -8.325 1.00 52.12 H new ATOM 0 HA ASN A 30 -6.726 -1.458 -6.238 1.00 23.21 H new ATOM 0 HB2 ASN A 30 -8.220 0.310 -7.137 1.00 31.23 H new ATOM 0 HB3 ASN A 30 -6.700 0.934 -6.527 1.00 31.23 H new ATOM 0 HD21 ASN A 30 -7.697 1.373 -10.483 1.00 50.45 H new ATOM 0 HD22 ASN A 30 -8.658 0.365 -9.396 1.00 50.45 H new ATOM 504 N THR A 31 -8.069 -2.956 -7.591 1.00 75.03 N ATOM 505 CA THR A 31 -8.869 -3.897 -8.320 1.00 31.04 C ATOM 506 C THR A 31 -10.332 -3.760 -7.807 1.00 41.44 C ATOM 507 O THR A 31 -10.531 -3.495 -6.628 1.00 25.41 O ATOM 508 CB THR A 31 -8.322 -5.317 -8.040 1.00 61.35 C ATOM 509 OG1 THR A 31 -6.909 -5.333 -8.285 1.00 54.01 O ATOM 510 CG2 THR A 31 -8.969 -6.358 -8.931 1.00 13.33 C ATOM 0 H THR A 31 -8.117 -3.069 -6.578 1.00 75.03 H new ATOM 0 HA THR A 31 -8.839 -3.714 -9.394 1.00 31.04 H new ATOM 0 HB THR A 31 -8.548 -5.560 -7.002 1.00 61.35 H new ATOM 0 HG1 THR A 31 -6.584 -6.257 -8.264 1.00 54.01 H new ATOM 0 HG21 THR A 31 -8.556 -7.340 -8.702 1.00 13.33 H new ATOM 0 HG22 THR A 31 -10.045 -6.367 -8.758 1.00 13.33 H new ATOM 0 HG23 THR A 31 -8.772 -6.116 -9.975 1.00 13.33 H new ATOM 518 N PRO A 32 -11.357 -3.886 -8.684 1.00 53.32 N ATOM 519 CA PRO A 32 -12.789 -3.735 -8.297 1.00 70.45 C ATOM 520 C PRO A 32 -13.228 -4.542 -7.041 1.00 3.14 C ATOM 521 O PRO A 32 -13.655 -3.961 -6.045 1.00 70.30 O ATOM 522 CB PRO A 32 -13.533 -4.229 -9.535 1.00 50.13 C ATOM 523 CG PRO A 32 -12.618 -3.911 -10.662 1.00 32.54 C ATOM 524 CD PRO A 32 -11.223 -4.132 -10.142 1.00 30.02 C ATOM 0 HA PRO A 32 -12.998 -2.705 -8.009 1.00 70.45 H new ATOM 0 HB2 PRO A 32 -13.737 -5.298 -9.477 1.00 50.13 H new ATOM 0 HB3 PRO A 32 -14.494 -3.727 -9.649 1.00 50.13 H new ATOM 0 HG2 PRO A 32 -12.820 -4.551 -11.521 1.00 32.54 H new ATOM 0 HG3 PRO A 32 -12.752 -2.881 -10.994 1.00 32.54 H new ATOM 0 HD2 PRO A 32 -10.873 -5.143 -10.348 1.00 30.02 H new ATOM 0 HD3 PRO A 32 -10.510 -3.448 -10.601 1.00 30.02 H new ATOM 532 N ASN A 33 -13.097 -5.860 -7.078 1.00 54.12 N ATOM 533 CA ASN A 33 -13.580 -6.696 -5.971 1.00 3.44 C ATOM 534 C ASN A 33 -12.464 -7.081 -5.042 1.00 14.14 C ATOM 535 O ASN A 33 -12.695 -7.377 -3.881 1.00 43.43 O ATOM 536 CB ASN A 33 -14.333 -7.961 -6.455 1.00 1.11 C ATOM 537 CG ASN A 33 -15.673 -7.674 -7.124 1.00 24.45 C ATOM 538 OD1 ASN A 33 -16.714 -7.624 -6.459 1.00 45.10 O ATOM 539 ND2 ASN A 33 -15.674 -7.515 -8.427 1.00 33.13 N ATOM 0 H ASN A 33 -12.668 -6.375 -7.847 1.00 54.12 H new ATOM 0 HA ASN A 33 -14.295 -6.081 -5.425 1.00 3.44 H new ATOM 0 HB2 ASN A 33 -13.698 -8.502 -7.157 1.00 1.11 H new ATOM 0 HB3 ASN A 33 -14.499 -8.620 -5.602 1.00 1.11 H new ATOM 0 HD21 ASN A 33 -16.551 -7.345 -8.919 1.00 33.13 H new ATOM 0 HD22 ASN A 33 -14.798 -7.562 -8.947 1.00 33.13 H new ATOM 546 N CYS A 34 -11.247 -7.069 -5.542 1.00 24.10 N ATOM 547 CA CYS A 34 -10.104 -7.396 -4.712 1.00 14.23 C ATOM 548 C CYS A 34 -9.629 -6.174 -3.960 1.00 3.44 C ATOM 549 O CYS A 34 -8.703 -6.250 -3.144 1.00 72.10 O ATOM 550 CB CYS A 34 -8.990 -8.020 -5.532 1.00 3.31 C ATOM 551 SG CYS A 34 -9.477 -9.570 -6.355 1.00 54.03 S ATOM 0 H CYS A 34 -11.023 -6.839 -6.510 1.00 24.10 H new ATOM 0 HA CYS A 34 -10.414 -8.139 -3.978 1.00 14.23 H new ATOM 0 HB2 CYS A 34 -8.660 -7.305 -6.286 1.00 3.31 H new ATOM 0 HB3 CYS A 34 -8.137 -8.215 -4.883 1.00 3.31 H new ATOM 0 HG CYS A 34 -8.471 -10.035 -7.035 1.00 54.03 H new ATOM 556 N ALA A 35 -10.282 -5.040 -4.262 1.00 12.41 N ATOM 557 CA ALA A 35 -10.094 -3.775 -3.580 1.00 75.32 C ATOM 558 C ALA A 35 -8.732 -3.124 -3.855 1.00 44.52 C ATOM 559 O ALA A 35 -7.977 -3.551 -4.756 1.00 5.40 O ATOM 560 CB ALA A 35 -10.355 -3.948 -2.101 1.00 23.03 C ATOM 0 H ALA A 35 -10.973 -4.990 -5.011 1.00 12.41 H new ATOM 0 HA ALA A 35 -10.822 -3.075 -3.989 1.00 75.32 H new ATOM 0 HB1 ALA A 35 -10.212 -2.995 -1.592 1.00 23.03 H new ATOM 0 HB2 ALA A 35 -11.379 -4.290 -1.950 1.00 23.03 H new ATOM 0 HB3 ALA A 35 -9.662 -4.684 -1.693 1.00 23.03 H new ATOM 566 N LEU A 36 -8.462 -2.065 -3.114 1.00 12.33 N ATOM 567 CA LEU A 36 -7.283 -1.317 -3.191 1.00 50.24 C ATOM 568 C LEU A 36 -6.187 -2.064 -2.434 1.00 2.40 C ATOM 569 O LEU A 36 -6.219 -2.158 -1.211 1.00 43.12 O ATOM 570 CB LEU A 36 -7.570 0.027 -2.541 1.00 42.35 C ATOM 571 CG LEU A 36 -6.443 0.995 -2.527 1.00 2.23 C ATOM 572 CD1 LEU A 36 -6.105 1.458 -3.938 1.00 21.23 C ATOM 573 CD2 LEU A 36 -6.707 2.161 -1.593 1.00 60.21 C ATOM 0 H LEU A 36 -9.113 -1.709 -2.414 1.00 12.33 H new ATOM 0 HA LEU A 36 -6.953 -1.170 -4.219 1.00 50.24 H new ATOM 0 HB2 LEU A 36 -8.412 0.487 -3.059 1.00 42.35 H new ATOM 0 HB3 LEU A 36 -7.886 -0.149 -1.513 1.00 42.35 H new ATOM 0 HG LEU A 36 -5.569 0.477 -2.133 1.00 2.23 H new ATOM 0 HD11 LEU A 36 -5.277 2.166 -3.900 1.00 21.23 H new ATOM 0 HD12 LEU A 36 -5.820 0.598 -4.545 1.00 21.23 H new ATOM 0 HD13 LEU A 36 -6.976 1.942 -4.381 1.00 21.23 H new ATOM 0 HD21 LEU A 36 -5.857 2.844 -1.614 1.00 60.21 H new ATOM 0 HD22 LEU A 36 -7.605 2.689 -1.915 1.00 60.21 H new ATOM 0 HD23 LEU A 36 -6.849 1.789 -0.578 1.00 60.21 H new ATOM 585 N GLN A 37 -5.260 -2.603 -3.160 1.00 4.43 N ATOM 586 CA GLN A 37 -4.225 -3.441 -2.607 1.00 20.32 C ATOM 587 C GLN A 37 -2.893 -2.756 -2.725 1.00 74.34 C ATOM 588 O GLN A 37 -2.494 -2.359 -3.797 1.00 11.30 O ATOM 589 CB GLN A 37 -4.223 -4.734 -3.397 1.00 23.41 C ATOM 590 CG GLN A 37 -5.553 -5.438 -3.321 1.00 64.43 C ATOM 591 CD GLN A 37 -5.740 -6.471 -4.375 1.00 45.32 C ATOM 592 OE1 GLN A 37 -5.423 -7.640 -4.201 1.00 72.34 O ATOM 593 NE2 GLN A 37 -6.259 -6.044 -5.488 1.00 43.53 N ATOM 0 H GLN A 37 -5.193 -2.476 -4.170 1.00 4.43 H new ATOM 0 HA GLN A 37 -4.408 -3.638 -1.551 1.00 20.32 H new ATOM 0 HB2 GLN A 37 -3.982 -4.523 -4.439 1.00 23.41 H new ATOM 0 HB3 GLN A 37 -3.441 -5.391 -3.016 1.00 23.41 H new ATOM 0 HG2 GLN A 37 -5.651 -5.907 -2.342 1.00 64.43 H new ATOM 0 HG3 GLN A 37 -6.351 -4.700 -3.402 1.00 64.43 H new ATOM 0 HE21 GLN A 37 -6.509 -5.060 -5.590 1.00 43.53 H new ATOM 0 HE22 GLN A 37 -6.417 -6.693 -6.259 1.00 43.53 H new ATOM 602 N ILE A 38 -2.208 -2.625 -1.647 1.00 0.30 N ATOM 603 CA ILE A 38 -0.941 -1.954 -1.654 1.00 32.12 C ATOM 604 C ILE A 38 0.156 -2.992 -1.667 1.00 61.54 C ATOM 605 O ILE A 38 0.120 -3.910 -0.890 1.00 11.12 O ATOM 606 CB ILE A 38 -0.796 -1.098 -0.393 1.00 51.23 C ATOM 607 CG1 ILE A 38 -1.956 -0.104 -0.277 1.00 53.41 C ATOM 608 CG2 ILE A 38 0.567 -0.387 -0.346 1.00 23.42 C ATOM 609 CD1 ILE A 38 -1.967 0.663 1.011 1.00 14.33 C ATOM 0 H ILE A 38 -2.500 -2.975 -0.735 1.00 0.30 H new ATOM 0 HA ILE A 38 -0.874 -1.314 -2.534 1.00 32.12 H new ATOM 0 HB ILE A 38 -0.837 -1.762 0.470 1.00 51.23 H new ATOM 0 HG12 ILE A 38 -1.904 0.600 -1.108 1.00 53.41 H new ATOM 0 HG13 ILE A 38 -2.897 -0.645 -0.375 1.00 53.41 H new ATOM 0 HG21 ILE A 38 0.634 0.211 0.563 1.00 23.42 H new ATOM 0 HG22 ILE A 38 1.365 -1.129 -0.352 1.00 23.42 H new ATOM 0 HG23 ILE A 38 0.669 0.262 -1.216 1.00 23.42 H new ATOM 0 HD11 ILE A 38 -2.816 1.346 1.020 1.00 14.33 H new ATOM 0 HD12 ILE A 38 -2.051 -0.031 1.847 1.00 14.33 H new ATOM 0 HD13 ILE A 38 -1.042 1.232 1.103 1.00 14.33 H new ATOM 621 N VAL A 39 1.090 -2.865 -2.558 1.00 32.24 N ATOM 622 CA VAL A 39 2.220 -3.781 -2.619 1.00 62.24 C ATOM 623 C VAL A 39 3.472 -3.033 -2.225 1.00 25.25 C ATOM 624 O VAL A 39 3.750 -1.978 -2.769 1.00 74.15 O ATOM 625 CB VAL A 39 2.400 -4.358 -4.054 1.00 12.21 C ATOM 626 CG1 VAL A 39 3.626 -5.259 -4.154 1.00 54.11 C ATOM 627 CG2 VAL A 39 1.149 -5.095 -4.514 1.00 71.22 C ATOM 0 H VAL A 39 1.104 -2.132 -3.267 1.00 32.24 H new ATOM 0 HA VAL A 39 2.035 -4.611 -1.937 1.00 62.24 H new ATOM 0 HB VAL A 39 2.560 -3.511 -4.721 1.00 12.21 H new ATOM 0 HG11 VAL A 39 3.715 -5.641 -5.171 1.00 54.11 H new ATOM 0 HG12 VAL A 39 4.519 -4.687 -3.901 1.00 54.11 H new ATOM 0 HG13 VAL A 39 3.521 -6.094 -3.461 1.00 54.11 H new ATOM 0 HG21 VAL A 39 1.306 -5.486 -5.519 1.00 71.22 H new ATOM 0 HG22 VAL A 39 0.941 -5.920 -3.832 1.00 71.22 H new ATOM 0 HG23 VAL A 39 0.303 -4.407 -4.520 1.00 71.22 H new ATOM 637 N ALA A 40 4.215 -3.555 -1.297 1.00 73.15 N ATOM 638 CA ALA A 40 5.414 -2.891 -0.863 1.00 61.14 C ATOM 639 C ALA A 40 6.505 -3.870 -0.537 1.00 72.50 C ATOM 640 O ALA A 40 6.262 -4.932 0.039 1.00 71.33 O ATOM 641 CB ALA A 40 5.134 -2.005 0.323 1.00 53.30 C ATOM 0 H ALA A 40 4.016 -4.437 -0.824 1.00 73.15 H new ATOM 0 HA ALA A 40 5.760 -2.272 -1.691 1.00 61.14 H new ATOM 0 HB1 ALA A 40 6.055 -1.512 0.635 1.00 53.30 H new ATOM 0 HB2 ALA A 40 4.395 -1.252 0.048 1.00 53.30 H new ATOM 0 HB3 ALA A 40 4.749 -2.608 1.145 1.00 53.30 H new ATOM 647 N ARG A 41 7.695 -3.534 -0.934 1.00 42.44 N ATOM 648 CA ARG A 41 8.827 -4.318 -0.629 1.00 61.13 C ATOM 649 C ARG A 41 9.641 -3.687 0.447 1.00 2.24 C ATOM 650 O ARG A 41 9.696 -2.470 0.552 1.00 61.03 O ATOM 651 CB ARG A 41 9.626 -4.592 -1.865 1.00 0.40 C ATOM 652 CG ARG A 41 9.544 -6.032 -2.241 1.00 1.23 C ATOM 653 CD ARG A 41 10.049 -6.313 -3.606 1.00 41.40 C ATOM 654 NE ARG A 41 9.283 -5.593 -4.633 1.00 65.30 N ATOM 655 CZ ARG A 41 9.162 -5.976 -5.916 1.00 30.43 C ATOM 656 NH1 ARG A 41 9.714 -7.105 -6.336 1.00 60.44 N ATOM 657 NH2 ARG A 41 8.470 -5.232 -6.762 1.00 55.10 N ATOM 0 H ARG A 41 7.897 -2.698 -1.483 1.00 42.44 H new ATOM 0 HA ARG A 41 8.492 -5.281 -0.243 1.00 61.13 H new ATOM 0 HB2 ARG A 41 9.258 -3.976 -2.685 1.00 0.40 H new ATOM 0 HB3 ARG A 41 10.667 -4.314 -1.700 1.00 0.40 H new ATOM 0 HG2 ARG A 41 10.114 -6.621 -1.522 1.00 1.23 H new ATOM 0 HG3 ARG A 41 8.507 -6.360 -2.170 1.00 1.23 H new ATOM 0 HD2 ARG A 41 11.099 -6.028 -3.670 1.00 41.40 H new ATOM 0 HD3 ARG A 41 9.997 -7.385 -3.799 1.00 41.40 H new ATOM 0 HE ARG A 41 8.806 -4.737 -4.351 1.00 65.30 H new ATOM 0 HH11 ARG A 41 10.236 -7.691 -5.684 1.00 60.44 H new ATOM 0 HH12 ARG A 41 9.617 -7.388 -7.311 1.00 60.44 H new ATOM 0 HH21 ARG A 41 8.030 -4.370 -6.441 1.00 55.10 H new ATOM 0 HH22 ARG A 41 8.377 -5.520 -7.736 1.00 55.10 H new ATOM 671 N LEU A 42 10.224 -4.502 1.265 1.00 72.55 N ATOM 672 CA LEU A 42 11.024 -4.031 2.368 1.00 0.42 C ATOM 673 C LEU A 42 12.442 -3.734 1.907 1.00 73.22 C ATOM 674 O LEU A 42 12.836 -4.128 0.805 1.00 14.21 O ATOM 675 CB LEU A 42 11.024 -5.052 3.497 1.00 63.01 C ATOM 676 CG LEU A 42 9.635 -5.529 3.957 1.00 42.21 C ATOM 677 CD1 LEU A 42 9.750 -6.485 5.133 1.00 74.01 C ATOM 678 CD2 LEU A 42 8.731 -4.348 4.298 1.00 51.11 C ATOM 0 H LEU A 42 10.164 -5.518 1.194 1.00 72.55 H new ATOM 0 HA LEU A 42 10.588 -3.106 2.745 1.00 0.42 H new ATOM 0 HB2 LEU A 42 11.600 -5.921 3.178 1.00 63.01 H new ATOM 0 HB3 LEU A 42 11.543 -4.621 4.353 1.00 63.01 H new ATOM 0 HG LEU A 42 9.177 -6.069 3.128 1.00 42.21 H new ATOM 0 HD11 LEU A 42 8.755 -6.807 5.439 1.00 74.01 H new ATOM 0 HD12 LEU A 42 10.338 -7.354 4.839 1.00 74.01 H new ATOM 0 HD13 LEU A 42 10.240 -5.980 5.966 1.00 74.01 H new ATOM 0 HD21 LEU A 42 7.757 -4.716 4.620 1.00 51.11 H new ATOM 0 HD22 LEU A 42 9.182 -3.765 5.101 1.00 51.11 H new ATOM 0 HD23 LEU A 42 8.608 -3.718 3.417 1.00 51.11 H new ATOM 690 N LYS A 43 13.200 -3.053 2.736 1.00 12.12 N ATOM 691 CA LYS A 43 14.551 -2.656 2.390 1.00 30.33 C ATOM 692 C LYS A 43 15.572 -3.745 2.699 1.00 31.25 C ATOM 693 O LYS A 43 16.274 -4.212 1.801 1.00 32.54 O ATOM 694 CB LYS A 43 14.926 -1.371 3.118 1.00 15.33 C ATOM 695 CG LYS A 43 13.989 -0.216 2.834 1.00 10.50 C ATOM 696 CD LYS A 43 14.370 1.040 3.596 1.00 52.31 C ATOM 697 CE LYS A 43 15.747 1.530 3.204 1.00 22.03 C ATOM 698 NZ LYS A 43 16.093 2.790 3.879 1.00 4.34 N ATOM 0 H LYS A 43 12.902 -2.758 3.666 1.00 12.12 H new ATOM 0 HA LYS A 43 14.570 -2.486 1.313 1.00 30.33 H new ATOM 0 HB2 LYS A 43 14.938 -1.562 4.191 1.00 15.33 H new ATOM 0 HB3 LYS A 43 15.938 -1.085 2.833 1.00 15.33 H new ATOM 0 HG2 LYS A 43 13.992 -0.004 1.765 1.00 10.50 H new ATOM 0 HG3 LYS A 43 12.972 -0.504 3.099 1.00 10.50 H new ATOM 0 HD2 LYS A 43 13.636 1.822 3.402 1.00 52.31 H new ATOM 0 HD3 LYS A 43 14.345 0.839 4.667 1.00 52.31 H new ATOM 0 HE2 LYS A 43 16.487 0.770 3.453 1.00 22.03 H new ATOM 0 HE3 LYS A 43 15.788 1.673 2.124 1.00 22.03 H new ATOM 0 HZ1 LYS A 43 17.043 3.092 3.584 1.00 4.34 H new ATOM 0 HZ2 LYS A 43 15.401 3.523 3.622 1.00 4.34 H new ATOM 0 HZ3 LYS A 43 16.079 2.647 4.909 1.00 4.34 H new ATOM 712 N ASN A 44 15.639 -4.170 3.955 1.00 13.21 N ATOM 713 CA ASN A 44 16.670 -5.133 4.376 1.00 61.53 C ATOM 714 C ASN A 44 16.288 -6.532 3.956 1.00 61.53 C ATOM 715 O ASN A 44 17.119 -7.293 3.472 1.00 23.42 O ATOM 716 CB ASN A 44 16.846 -5.074 5.919 1.00 52.13 C ATOM 717 CG ASN A 44 17.950 -5.983 6.503 1.00 34.33 C ATOM 718 OD1 ASN A 44 18.292 -7.045 5.978 1.00 5.14 O ATOM 719 ND2 ASN A 44 18.498 -5.568 7.607 1.00 13.33 N ATOM 0 H ASN A 44 15.005 -3.873 4.697 1.00 13.21 H new ATOM 0 HA ASN A 44 17.612 -4.870 3.895 1.00 61.53 H new ATOM 0 HB2 ASN A 44 17.062 -4.044 6.202 1.00 52.13 H new ATOM 0 HB3 ASN A 44 15.897 -5.341 6.385 1.00 52.13 H new ATOM 0 HD21 ASN A 44 19.226 -6.124 8.056 1.00 13.33 H new ATOM 0 HD22 ASN A 44 18.200 -4.686 8.024 1.00 13.33 H new ATOM 726 N ASN A 45 15.035 -6.850 4.071 1.00 74.43 N ATOM 727 CA ASN A 45 14.586 -8.182 3.732 1.00 0.13 C ATOM 728 C ASN A 45 14.336 -8.244 2.236 1.00 35.21 C ATOM 729 O ASN A 45 14.558 -9.263 1.607 1.00 11.22 O ATOM 730 CB ASN A 45 13.286 -8.530 4.500 1.00 55.02 C ATOM 731 CG ASN A 45 12.867 -10.007 4.406 1.00 42.42 C ATOM 732 OD1 ASN A 45 13.171 -10.707 3.458 1.00 41.24 O ATOM 733 ND2 ASN A 45 12.116 -10.458 5.371 1.00 20.31 N ATOM 0 H ASN A 45 14.303 -6.217 4.394 1.00 74.43 H new ATOM 0 HA ASN A 45 15.351 -8.906 4.014 1.00 0.13 H new ATOM 0 HB2 ASN A 45 13.418 -8.269 5.550 1.00 55.02 H new ATOM 0 HB3 ASN A 45 12.475 -7.910 4.117 1.00 55.02 H new ATOM 0 HD21 ASN A 45 11.770 -11.417 5.342 1.00 20.31 H new ATOM 0 HD22 ASN A 45 11.875 -9.852 6.155 1.00 20.31 H new ATOM 740 N ASN A 46 13.902 -7.098 1.670 1.00 21.41 N ATOM 741 CA ASN A 46 13.480 -6.989 0.243 1.00 3.02 C ATOM 742 C ASN A 46 12.206 -7.821 0.056 1.00 72.34 C ATOM 743 O ASN A 46 11.787 -8.148 -1.051 1.00 12.41 O ATOM 744 CB ASN A 46 14.603 -7.451 -0.722 1.00 1.11 C ATOM 745 CG ASN A 46 14.308 -7.158 -2.191 1.00 55.21 C ATOM 746 OD1 ASN A 46 13.665 -6.042 -2.466 1.00 2.53 O flip ATOM 747 ND2 ASN A 46 14.707 -7.914 -3.076 1.00 1.34 N flip ATOM 0 H ASN A 46 13.832 -6.219 2.182 1.00 21.41 H new ATOM 0 HA ASN A 46 13.279 -5.945 0.001 1.00 3.02 H new ATOM 0 HB2 ASN A 46 15.535 -6.960 -0.443 1.00 1.11 H new ATOM 0 HB3 ASN A 46 14.758 -8.523 -0.598 1.00 1.11 H new ATOM 0 HD21 ASN A 46 15.202 -8.771 -2.830 1.00 1.34 H new ATOM 0 HD22 ASN A 46 14.543 -7.684 -4.056 1.00 1.34 H new ATOM 754 N ARG A 47 11.580 -8.095 1.180 1.00 30.21 N ATOM 755 CA ARG A 47 10.409 -8.880 1.300 1.00 62.34 C ATOM 756 C ARG A 47 9.262 -8.167 0.673 1.00 52.24 C ATOM 757 O ARG A 47 9.046 -6.989 0.937 1.00 33.43 O ATOM 758 CB ARG A 47 10.164 -9.045 2.773 1.00 50.25 C ATOM 759 CG ARG A 47 9.039 -9.917 3.168 1.00 62.44 C ATOM 760 CD ARG A 47 9.310 -11.341 2.803 1.00 1.03 C ATOM 761 NE ARG A 47 8.196 -12.227 3.160 1.00 22.23 N ATOM 762 CZ ARG A 47 8.251 -13.561 3.116 1.00 64.21 C ATOM 763 NH1 ARG A 47 9.333 -14.167 2.659 1.00 74.00 N ATOM 764 NH2 ARG A 47 7.212 -14.285 3.514 1.00 34.35 N ATOM 0 H ARG A 47 11.910 -7.746 2.080 1.00 30.21 H new ATOM 0 HA ARG A 47 10.519 -9.845 0.804 1.00 62.34 H new ATOM 0 HB2 ARG A 47 11.074 -9.438 3.227 1.00 50.25 H new ATOM 0 HB3 ARG A 47 9.995 -8.057 3.202 1.00 50.25 H new ATOM 0 HG2 ARG A 47 8.874 -9.839 4.243 1.00 62.44 H new ATOM 0 HG3 ARG A 47 8.125 -9.580 2.679 1.00 62.44 H new ATOM 0 HD2 ARG A 47 9.498 -11.410 1.732 1.00 1.03 H new ATOM 0 HD3 ARG A 47 10.216 -11.678 3.308 1.00 1.03 H new ATOM 0 HE ARG A 47 7.322 -11.796 3.462 1.00 22.23 H new ATOM 0 HH11 ARG A 47 10.129 -13.616 2.339 1.00 74.00 H new ATOM 0 HH12 ARG A 47 9.372 -15.186 2.627 1.00 74.00 H new ATOM 0 HH21 ARG A 47 6.369 -13.823 3.854 1.00 34.35 H new ATOM 0 HH22 ARG A 47 7.257 -15.303 3.479 1.00 34.35 H new ATOM 778 N GLN A 48 8.549 -8.853 -0.150 1.00 20.43 N ATOM 779 CA GLN A 48 7.447 -8.282 -0.800 1.00 31.22 C ATOM 780 C GLN A 48 6.204 -8.637 -0.032 1.00 42.40 C ATOM 781 O GLN A 48 5.878 -9.816 0.143 1.00 63.42 O ATOM 782 CB GLN A 48 7.397 -8.802 -2.223 1.00 64.41 C ATOM 783 CG GLN A 48 6.414 -8.095 -3.104 1.00 55.54 C ATOM 784 CD GLN A 48 6.420 -8.642 -4.507 1.00 13.33 C ATOM 785 OE1 GLN A 48 7.448 -9.116 -4.996 1.00 21.14 O ATOM 786 NE2 GLN A 48 5.292 -8.604 -5.155 1.00 54.21 N ATOM 0 H GLN A 48 8.724 -9.830 -0.385 1.00 20.43 H new ATOM 0 HA GLN A 48 7.527 -7.196 -0.840 1.00 31.22 H new ATOM 0 HB2 GLN A 48 8.390 -8.715 -2.664 1.00 64.41 H new ATOM 0 HB3 GLN A 48 7.149 -9.863 -2.201 1.00 64.41 H new ATOM 0 HG2 GLN A 48 5.414 -8.191 -2.682 1.00 55.54 H new ATOM 0 HG3 GLN A 48 6.649 -7.031 -3.129 1.00 55.54 H new ATOM 0 HE21 GLN A 48 4.464 -8.203 -4.714 1.00 54.21 H new ATOM 0 HE22 GLN A 48 5.236 -8.975 -6.103 1.00 54.21 H new ATOM 795 N VAL A 49 5.537 -7.635 0.440 1.00 3.53 N ATOM 796 CA VAL A 49 4.340 -7.799 1.204 1.00 5.32 C ATOM 797 C VAL A 49 3.298 -6.859 0.679 1.00 13.34 C ATOM 798 O VAL A 49 3.572 -6.043 -0.207 1.00 63.03 O ATOM 799 CB VAL A 49 4.554 -7.523 2.736 1.00 5.41 C ATOM 800 CG1 VAL A 49 5.537 -8.507 3.348 1.00 53.42 C ATOM 801 CG2 VAL A 49 5.017 -6.083 2.987 1.00 34.21 C ATOM 0 H VAL A 49 5.812 -6.662 0.304 1.00 3.53 H new ATOM 0 HA VAL A 49 4.025 -8.838 1.102 1.00 5.32 H new ATOM 0 HB VAL A 49 3.588 -7.661 3.222 1.00 5.41 H new ATOM 0 HG11 VAL A 49 5.661 -8.286 4.408 1.00 53.42 H new ATOM 0 HG12 VAL A 49 5.157 -9.522 3.231 1.00 53.42 H new ATOM 0 HG13 VAL A 49 6.500 -8.420 2.845 1.00 53.42 H new ATOM 0 HG21 VAL A 49 5.155 -5.927 4.057 1.00 34.21 H new ATOM 0 HG22 VAL A 49 5.961 -5.909 2.470 1.00 34.21 H new ATOM 0 HG23 VAL A 49 4.265 -5.389 2.613 1.00 34.21 H new ATOM 811 N CYS A 50 2.134 -6.963 1.198 1.00 63.41 N ATOM 812 CA CYS A 50 1.089 -6.087 0.817 1.00 72.52 C ATOM 813 C CYS A 50 0.746 -5.236 1.999 1.00 72.12 C ATOM 814 O CYS A 50 0.957 -5.648 3.127 1.00 54.34 O ATOM 815 CB CYS A 50 -0.107 -6.878 0.335 1.00 21.12 C ATOM 816 SG CYS A 50 0.325 -8.061 -1.002 1.00 23.13 S ATOM 0 H CYS A 50 1.876 -7.657 1.899 1.00 63.41 H new ATOM 0 HA CYS A 50 1.403 -5.448 -0.009 1.00 72.52 H new ATOM 0 HB2 CYS A 50 -0.539 -7.424 1.173 1.00 21.12 H new ATOM 0 HB3 CYS A 50 -0.872 -6.190 -0.026 1.00 21.12 H new ATOM 821 N ILE A 51 0.262 -4.068 1.764 1.00 31.35 N ATOM 822 CA ILE A 51 -0.045 -3.158 2.819 1.00 5.31 C ATOM 823 C ILE A 51 -1.516 -2.845 2.822 1.00 35.21 C ATOM 824 O ILE A 51 -2.145 -2.750 1.762 1.00 5.03 O ATOM 825 CB ILE A 51 0.779 -1.858 2.729 1.00 43.45 C ATOM 826 CG1 ILE A 51 2.257 -2.190 2.680 1.00 23.54 C ATOM 827 CG2 ILE A 51 0.487 -0.957 3.900 1.00 72.22 C ATOM 828 CD1 ILE A 51 3.163 -0.977 2.821 1.00 32.05 C ATOM 0 H ILE A 51 0.065 -3.711 0.829 1.00 31.35 H new ATOM 0 HA ILE A 51 0.224 -3.645 3.756 1.00 5.31 H new ATOM 0 HB ILE A 51 0.499 -1.331 1.817 1.00 43.45 H new ATOM 0 HG12 ILE A 51 2.487 -2.898 3.476 1.00 23.54 H new ATOM 0 HG13 ILE A 51 2.477 -2.688 1.736 1.00 23.54 H new ATOM 0 HG21 ILE A 51 1.080 -0.046 3.815 1.00 72.22 H new ATOM 0 HG22 ILE A 51 -0.573 -0.701 3.907 1.00 72.22 H new ATOM 0 HG23 ILE A 51 0.742 -1.471 4.827 1.00 72.22 H new ATOM 0 HD11 ILE A 51 4.205 -1.294 2.776 1.00 32.05 H new ATOM 0 HD12 ILE A 51 2.962 -0.276 2.011 1.00 32.05 H new ATOM 0 HD13 ILE A 51 2.973 -0.490 3.777 1.00 32.05 H new ATOM 840 N ASP A 52 -2.062 -2.736 3.994 1.00 41.22 N ATOM 841 CA ASP A 52 -3.457 -2.472 4.160 1.00 62.12 C ATOM 842 C ASP A 52 -3.686 -0.969 4.195 1.00 11.30 C ATOM 843 O ASP A 52 -2.978 -0.245 4.913 1.00 44.30 O ATOM 844 CB ASP A 52 -3.918 -3.076 5.454 1.00 61.42 C ATOM 845 CG ASP A 52 -5.425 -3.128 5.576 1.00 51.11 C ATOM 846 OD1 ASP A 52 -6.060 -2.074 5.692 1.00 42.12 O ATOM 847 OD2 ASP A 52 -6.001 -4.242 5.545 1.00 64.44 O ATOM 0 H ASP A 52 -1.547 -2.829 4.869 1.00 41.22 H new ATOM 0 HA ASP A 52 -4.016 -2.905 3.330 1.00 62.12 H new ATOM 0 HB2 ASP A 52 -3.517 -4.086 5.541 1.00 61.42 H new ATOM 0 HB3 ASP A 52 -3.511 -2.498 6.284 1.00 61.42 H new ATOM 852 N PRO A 53 -4.665 -0.477 3.428 1.00 34.41 N ATOM 853 CA PRO A 53 -4.986 0.950 3.355 1.00 2.20 C ATOM 854 C PRO A 53 -5.387 1.593 4.704 1.00 32.21 C ATOM 855 O PRO A 53 -5.281 2.808 4.856 1.00 14.15 O ATOM 856 CB PRO A 53 -6.163 1.014 2.361 1.00 51.13 C ATOM 857 CG PRO A 53 -6.696 -0.378 2.300 1.00 40.24 C ATOM 858 CD PRO A 53 -5.529 -1.278 2.538 1.00 44.12 C ATOM 0 HA PRO A 53 -4.106 1.517 3.051 1.00 2.20 H new ATOM 0 HB2 PRO A 53 -6.927 1.714 2.699 1.00 51.13 H new ATOM 0 HB3 PRO A 53 -5.832 1.353 1.379 1.00 51.13 H new ATOM 0 HG2 PRO A 53 -7.468 -0.533 3.054 1.00 40.24 H new ATOM 0 HG3 PRO A 53 -7.152 -0.579 1.330 1.00 40.24 H new ATOM 0 HD2 PRO A 53 -5.831 -2.215 3.006 1.00 44.12 H new ATOM 0 HD3 PRO A 53 -5.022 -1.535 1.608 1.00 44.12 H new ATOM 866 N LYS A 54 -5.819 0.791 5.692 1.00 31.20 N ATOM 867 CA LYS A 54 -6.279 1.373 6.959 1.00 4.05 C ATOM 868 C LYS A 54 -5.140 1.758 7.897 1.00 3.44 C ATOM 869 O LYS A 54 -5.382 2.280 9.000 1.00 53.13 O ATOM 870 CB LYS A 54 -7.278 0.493 7.669 1.00 4.22 C ATOM 871 CG LYS A 54 -6.747 -0.791 8.222 1.00 24.30 C ATOM 872 CD LYS A 54 -7.860 -1.557 8.862 1.00 23.33 C ATOM 873 CE LYS A 54 -8.919 -1.997 7.841 1.00 31.42 C ATOM 874 NZ LYS A 54 -8.350 -2.841 6.759 1.00 52.03 N ATOM 0 H LYS A 54 -5.859 -0.227 5.641 1.00 31.20 H new ATOM 0 HA LYS A 54 -6.785 2.296 6.676 1.00 4.05 H new ATOM 0 HB2 LYS A 54 -7.717 1.064 8.487 1.00 4.22 H new ATOM 0 HB3 LYS A 54 -8.085 0.260 6.974 1.00 4.22 H new ATOM 0 HG2 LYS A 54 -6.295 -1.383 7.426 1.00 24.30 H new ATOM 0 HG3 LYS A 54 -5.964 -0.588 8.953 1.00 24.30 H new ATOM 0 HD2 LYS A 54 -7.454 -2.435 9.364 1.00 23.33 H new ATOM 0 HD3 LYS A 54 -8.330 -0.941 9.629 1.00 23.33 H new ATOM 0 HE2 LYS A 54 -9.705 -2.551 8.354 1.00 31.42 H new ATOM 0 HE3 LYS A 54 -9.385 -1.115 7.402 1.00 31.42 H new ATOM 0 HZ1 LYS A 54 -9.121 -3.223 6.175 1.00 52.03 H new ATOM 0 HZ2 LYS A 54 -7.718 -2.266 6.166 1.00 52.03 H new ATOM 0 HZ3 LYS A 54 -7.812 -3.626 7.178 1.00 52.03 H new ATOM 888 N LEU A 55 -3.907 1.501 7.487 1.00 64.13 N ATOM 889 CA LEU A 55 -2.760 1.898 8.273 1.00 4.13 C ATOM 890 C LEU A 55 -2.678 3.410 8.372 1.00 21.10 C ATOM 891 O LEU A 55 -2.821 4.129 7.374 1.00 35.42 O ATOM 892 CB LEU A 55 -1.470 1.317 7.714 1.00 63.45 C ATOM 893 CG LEU A 55 -1.232 -0.185 7.928 1.00 41.44 C ATOM 894 CD1 LEU A 55 0.032 -0.605 7.232 1.00 40.54 C ATOM 895 CD2 LEU A 55 -1.099 -0.504 9.406 1.00 0.14 C ATOM 0 H LEU A 55 -3.681 1.020 6.616 1.00 64.13 H new ATOM 0 HA LEU A 55 -2.889 1.494 9.277 1.00 4.13 H new ATOM 0 HB2 LEU A 55 -1.446 1.515 6.642 1.00 63.45 H new ATOM 0 HB3 LEU A 55 -0.634 1.859 8.157 1.00 63.45 H new ATOM 0 HG LEU A 55 -2.086 -0.724 7.518 1.00 41.44 H new ATOM 0 HD11 LEU A 55 0.196 -1.671 7.387 1.00 40.54 H new ATOM 0 HD12 LEU A 55 -0.056 -0.403 6.165 1.00 40.54 H new ATOM 0 HD13 LEU A 55 0.874 -0.046 7.639 1.00 40.54 H new ATOM 0 HD21 LEU A 55 -0.931 -1.573 9.534 1.00 0.14 H new ATOM 0 HD22 LEU A 55 -0.257 0.048 9.823 1.00 0.14 H new ATOM 0 HD23 LEU A 55 -2.014 -0.216 9.924 1.00 0.14 H new ATOM 907 N LYS A 56 -2.429 3.878 9.562 1.00 12.54 N ATOM 908 CA LYS A 56 -2.436 5.287 9.862 1.00 51.05 C ATOM 909 C LYS A 56 -1.333 6.028 9.129 1.00 24.21 C ATOM 910 O LYS A 56 -1.554 7.125 8.607 1.00 50.44 O ATOM 911 CB LYS A 56 -2.321 5.514 11.351 1.00 34.24 C ATOM 912 CG LYS A 56 -2.471 6.967 11.743 1.00 34.33 C ATOM 913 CD LYS A 56 -2.310 7.162 13.220 1.00 72.31 C ATOM 914 CE LYS A 56 -3.363 6.413 14.014 1.00 2.10 C ATOM 915 NZ LYS A 56 -3.174 6.573 15.468 1.00 2.11 N ATOM 0 H LYS A 56 -2.212 3.286 10.364 1.00 12.54 H new ATOM 0 HA LYS A 56 -3.389 5.687 9.515 1.00 51.05 H new ATOM 0 HB2 LYS A 56 -3.083 4.925 11.862 1.00 34.24 H new ATOM 0 HB3 LYS A 56 -1.353 5.149 11.694 1.00 34.24 H new ATOM 0 HG2 LYS A 56 -1.729 7.565 11.214 1.00 34.33 H new ATOM 0 HG3 LYS A 56 -3.452 7.328 11.433 1.00 34.33 H new ATOM 0 HD2 LYS A 56 -1.319 6.824 13.524 1.00 72.31 H new ATOM 0 HD3 LYS A 56 -2.369 8.225 13.453 1.00 72.31 H new ATOM 0 HE2 LYS A 56 -4.353 6.774 13.735 1.00 2.10 H new ATOM 0 HE3 LYS A 56 -3.326 5.354 13.758 1.00 2.10 H new ATOM 0 HZ1 LYS A 56 -3.914 6.046 15.974 1.00 2.11 H new ATOM 0 HZ2 LYS A 56 -2.240 6.205 15.739 1.00 2.11 H new ATOM 0 HZ3 LYS A 56 -3.235 7.581 15.717 1.00 2.11 H new ATOM 929 N TRP A 57 -0.149 5.434 9.053 1.00 74.25 N ATOM 930 CA TRP A 57 0.937 6.099 8.355 1.00 14.24 C ATOM 931 C TRP A 57 0.691 6.058 6.853 1.00 15.12 C ATOM 932 O TRP A 57 1.202 6.878 6.109 1.00 11.35 O ATOM 933 CB TRP A 57 2.327 5.539 8.715 1.00 2.31 C ATOM 934 CG TRP A 57 2.640 4.165 8.199 1.00 43.33 C ATOM 935 CD1 TRP A 57 2.468 2.978 8.837 1.00 60.43 C ATOM 936 CD2 TRP A 57 3.214 3.855 6.929 1.00 74.31 C ATOM 937 NE1 TRP A 57 2.897 1.956 8.042 1.00 60.34 N ATOM 938 CE2 TRP A 57 3.358 2.467 6.865 1.00 42.23 C ATOM 939 CE3 TRP A 57 3.611 4.629 5.837 1.00 14.14 C ATOM 940 CZ2 TRP A 57 3.891 1.829 5.756 1.00 73.31 C ATOM 941 CZ3 TRP A 57 4.141 4.000 4.737 1.00 3.11 C ATOM 942 CH2 TRP A 57 4.275 2.614 4.701 1.00 32.53 C ATOM 0 H TRP A 57 0.078 4.523 9.452 1.00 74.25 H new ATOM 0 HA TRP A 57 0.946 7.137 8.688 1.00 14.24 H new ATOM 0 HB2 TRP A 57 3.083 6.228 8.337 1.00 2.31 H new ATOM 0 HB3 TRP A 57 2.421 5.527 9.801 1.00 2.31 H new ATOM 0 HD1 TRP A 57 2.053 2.861 9.827 1.00 60.43 H new ATOM 0 HE1 TRP A 57 2.876 0.967 8.289 1.00 60.34 H new ATOM 0 HE3 TRP A 57 3.503 5.703 5.857 1.00 14.14 H new ATOM 0 HZ2 TRP A 57 3.999 0.755 5.725 1.00 73.31 H new ATOM 0 HZ3 TRP A 57 4.458 4.588 3.888 1.00 3.11 H new ATOM 0 HH2 TRP A 57 4.691 2.147 3.821 1.00 32.53 H new ATOM 953 N ILE A 58 -0.119 5.100 6.422 1.00 65.24 N ATOM 954 CA ILE A 58 -0.515 5.000 5.034 1.00 24.55 C ATOM 955 C ILE A 58 -1.474 6.140 4.703 1.00 23.12 C ATOM 956 O ILE A 58 -1.469 6.677 3.598 1.00 3.44 O ATOM 957 CB ILE A 58 -1.145 3.611 4.705 1.00 13.00 C ATOM 958 CG1 ILE A 58 -0.080 2.508 4.769 1.00 34.11 C ATOM 959 CG2 ILE A 58 -1.804 3.614 3.348 1.00 31.44 C ATOM 960 CD1 ILE A 58 1.016 2.668 3.732 1.00 21.44 C ATOM 0 H ILE A 58 -0.515 4.378 7.024 1.00 65.24 H new ATOM 0 HA ILE A 58 0.375 5.087 4.410 1.00 24.55 H new ATOM 0 HB ILE A 58 -1.911 3.410 5.454 1.00 13.00 H new ATOM 0 HG12 ILE A 58 0.368 2.503 5.763 1.00 34.11 H new ATOM 0 HG13 ILE A 58 -0.562 1.540 4.632 1.00 34.11 H new ATOM 0 HG21 ILE A 58 -2.233 2.632 3.150 1.00 31.44 H new ATOM 0 HG22 ILE A 58 -2.594 4.365 3.329 1.00 31.44 H new ATOM 0 HG23 ILE A 58 -1.062 3.847 2.584 1.00 31.44 H new ATOM 0 HD11 ILE A 58 1.735 1.855 3.834 1.00 21.44 H new ATOM 0 HD12 ILE A 58 0.579 2.643 2.734 1.00 21.44 H new ATOM 0 HD13 ILE A 58 1.523 3.621 3.882 1.00 21.44 H new ATOM 972 N GLN A 59 -2.268 6.526 5.680 1.00 11.44 N ATOM 973 CA GLN A 59 -3.136 7.674 5.528 1.00 21.15 C ATOM 974 C GLN A 59 -2.293 8.923 5.358 1.00 75.23 C ATOM 975 O GLN A 59 -2.561 9.752 4.495 1.00 31.41 O ATOM 976 CB GLN A 59 -4.094 7.802 6.706 1.00 15.31 C ATOM 977 CG GLN A 59 -5.062 6.642 6.820 1.00 41.35 C ATOM 978 CD GLN A 59 -5.903 6.492 5.570 1.00 31.13 C ATOM 979 OE1 GLN A 59 -6.978 7.080 5.457 1.00 55.34 O ATOM 980 NE2 GLN A 59 -5.437 5.700 4.645 1.00 63.21 N ATOM 0 H GLN A 59 -2.330 6.062 6.586 1.00 11.44 H new ATOM 0 HA GLN A 59 -3.749 7.541 4.637 1.00 21.15 H new ATOM 0 HB2 GLN A 59 -3.517 7.877 7.628 1.00 15.31 H new ATOM 0 HB3 GLN A 59 -4.659 8.729 6.607 1.00 15.31 H new ATOM 0 HG2 GLN A 59 -4.507 5.721 6.999 1.00 41.35 H new ATOM 0 HG3 GLN A 59 -5.713 6.794 7.681 1.00 41.35 H new ATOM 0 HE21 GLN A 59 -4.541 5.232 4.779 1.00 63.21 H new ATOM 0 HE22 GLN A 59 -5.969 5.549 3.788 1.00 63.21 H new ATOM 989 N GLU A 60 -1.242 9.022 6.165 1.00 25.10 N ATOM 990 CA GLU A 60 -0.276 10.112 6.056 1.00 54.51 C ATOM 991 C GLU A 60 0.392 10.060 4.681 1.00 10.15 C ATOM 992 O GLU A 60 0.554 11.079 4.032 1.00 55.11 O ATOM 993 CB GLU A 60 0.797 9.976 7.138 1.00 31.42 C ATOM 994 CG GLU A 60 0.279 10.020 8.563 1.00 23.03 C ATOM 995 CD GLU A 60 -0.332 11.343 8.915 1.00 23.13 C ATOM 996 OE1 GLU A 60 0.421 12.296 9.196 1.00 1.43 O ATOM 997 OE2 GLU A 60 -1.573 11.454 8.942 1.00 62.33 O ATOM 0 H GLU A 60 -1.036 8.355 6.908 1.00 25.10 H new ATOM 0 HA GLU A 60 -0.797 11.061 6.184 1.00 54.51 H new ATOM 0 HB2 GLU A 60 1.325 9.034 6.988 1.00 31.42 H new ATOM 0 HB3 GLU A 60 1.527 10.775 7.008 1.00 31.42 H new ATOM 0 HG2 GLU A 60 -0.463 9.234 8.700 1.00 23.03 H new ATOM 0 HG3 GLU A 60 1.098 9.808 9.250 1.00 23.03 H new ATOM 1004 N TYR A 61 0.774 8.845 4.269 1.00 11.44 N ATOM 1005 CA TYR A 61 1.375 8.559 2.955 1.00 61.35 C ATOM 1006 C TYR A 61 0.514 9.085 1.814 1.00 74.42 C ATOM 1007 O TYR A 61 0.990 9.791 0.929 1.00 75.40 O ATOM 1008 CB TYR A 61 1.557 7.032 2.791 1.00 43.24 C ATOM 1009 CG TYR A 61 1.921 6.589 1.389 1.00 10.43 C ATOM 1010 CD1 TYR A 61 3.150 6.894 0.815 1.00 13.42 C ATOM 1011 CD2 TYR A 61 1.006 5.875 0.641 1.00 13.41 C ATOM 1012 CE1 TYR A 61 3.441 6.495 -0.480 1.00 13.44 C ATOM 1013 CE2 TYR A 61 1.279 5.471 -0.633 1.00 62.23 C ATOM 1014 CZ TYR A 61 2.499 5.786 -1.202 1.00 74.53 C ATOM 1015 OH TYR A 61 2.779 5.390 -2.494 1.00 62.24 O ATOM 0 H TYR A 61 0.673 8.013 4.851 1.00 11.44 H new ATOM 0 HA TYR A 61 2.340 9.064 2.913 1.00 61.35 H new ATOM 0 HB2 TYR A 61 2.334 6.696 3.478 1.00 43.24 H new ATOM 0 HB3 TYR A 61 0.633 6.535 3.087 1.00 43.24 H new ATOM 0 HD1 TYR A 61 3.884 7.446 1.383 1.00 13.42 H new ATOM 0 HD2 TYR A 61 0.048 5.630 1.076 1.00 13.41 H new ATOM 0 HE1 TYR A 61 4.397 6.736 -0.922 1.00 13.44 H new ATOM 0 HE2 TYR A 61 0.547 4.909 -1.194 1.00 62.23 H new ATOM 0 HH TYR A 61 2.012 4.901 -2.860 1.00 62.24 H new ATOM 1025 N LEU A 62 -0.729 8.725 1.839 1.00 73.43 N ATOM 1026 CA LEU A 62 -1.651 9.107 0.815 1.00 75.41 C ATOM 1027 C LEU A 62 -1.976 10.563 0.849 1.00 13.24 C ATOM 1028 O LEU A 62 -1.999 11.210 -0.177 1.00 64.54 O ATOM 1029 CB LEU A 62 -2.839 8.210 0.864 1.00 61.20 C ATOM 1030 CG LEU A 62 -2.493 6.826 0.359 1.00 35.53 C ATOM 1031 CD1 LEU A 62 -3.382 5.812 0.923 1.00 51.34 C ATOM 1032 CD2 LEU A 62 -2.563 6.782 -1.154 1.00 62.45 C ATOM 0 H LEU A 62 -1.138 8.152 2.577 1.00 73.43 H new ATOM 0 HA LEU A 62 -1.183 8.973 -0.160 1.00 75.41 H new ATOM 0 HB2 LEU A 62 -3.209 8.146 1.887 1.00 61.20 H new ATOM 0 HB3 LEU A 62 -3.643 8.631 0.260 1.00 61.20 H new ATOM 0 HG LEU A 62 -1.475 6.605 0.681 1.00 35.53 H new ATOM 0 HD11 LEU A 62 -3.105 4.830 0.539 1.00 51.34 H new ATOM 0 HD12 LEU A 62 -3.294 5.814 2.009 1.00 51.34 H new ATOM 0 HD13 LEU A 62 -4.412 6.034 0.642 1.00 51.34 H new ATOM 0 HD21 LEU A 62 -2.311 5.780 -1.501 1.00 62.45 H new ATOM 0 HD22 LEU A 62 -3.572 7.036 -1.479 1.00 62.45 H new ATOM 0 HD23 LEU A 62 -1.856 7.499 -1.572 1.00 62.45 H new ATOM 1044 N GLU A 63 -2.180 11.097 2.023 1.00 15.13 N ATOM 1045 CA GLU A 63 -2.396 12.530 2.146 1.00 64.43 C ATOM 1046 C GLU A 63 -1.161 13.311 1.680 1.00 32.42 C ATOM 1047 O GLU A 63 -1.272 14.373 1.091 1.00 51.30 O ATOM 1048 CB GLU A 63 -2.840 12.908 3.555 1.00 24.54 C ATOM 1049 CG GLU A 63 -4.243 12.414 3.873 1.00 63.31 C ATOM 1050 CD GLU A 63 -4.756 12.896 5.194 1.00 4.31 C ATOM 1051 OE1 GLU A 63 -5.340 14.004 5.239 1.00 64.34 O ATOM 1052 OE2 GLU A 63 -4.601 12.180 6.207 1.00 12.51 O ATOM 0 H GLU A 63 -2.203 10.579 2.901 1.00 15.13 H new ATOM 0 HA GLU A 63 -3.215 12.812 1.484 1.00 64.43 H new ATOM 0 HB2 GLU A 63 -2.139 12.492 4.278 1.00 24.54 H new ATOM 0 HB3 GLU A 63 -2.806 13.992 3.665 1.00 24.54 H new ATOM 0 HG2 GLU A 63 -4.923 12.741 3.086 1.00 63.31 H new ATOM 0 HG3 GLU A 63 -4.247 11.324 3.865 1.00 63.31 H new ATOM 1059 N LYS A 64 -0.002 12.739 1.922 1.00 71.14 N ATOM 1060 CA LYS A 64 1.277 13.260 1.459 1.00 10.10 C ATOM 1061 C LYS A 64 1.305 13.308 -0.074 1.00 10.45 C ATOM 1062 O LYS A 64 1.442 14.375 -0.682 1.00 51.50 O ATOM 1063 CB LYS A 64 2.359 12.296 1.910 1.00 44.15 C ATOM 1064 CG LYS A 64 3.734 12.603 1.427 1.00 3.34 C ATOM 1065 CD LYS A 64 4.336 13.774 2.169 1.00 22.34 C ATOM 1066 CE LYS A 64 5.730 14.061 1.679 1.00 63.22 C ATOM 1067 NZ LYS A 64 6.351 15.174 2.415 1.00 4.24 N ATOM 0 H LYS A 64 0.085 11.876 2.459 1.00 71.14 H new ATOM 0 HA LYS A 64 1.430 14.262 1.860 1.00 10.10 H new ATOM 0 HB2 LYS A 64 2.372 12.276 3.000 1.00 44.15 H new ATOM 0 HB3 LYS A 64 2.091 11.294 1.576 1.00 44.15 H new ATOM 0 HG2 LYS A 64 4.369 11.726 1.554 1.00 3.34 H new ATOM 0 HG3 LYS A 64 3.705 12.824 0.360 1.00 3.34 H new ATOM 0 HD2 LYS A 64 3.710 14.656 2.034 1.00 22.34 H new ATOM 0 HD3 LYS A 64 4.359 13.560 3.238 1.00 22.34 H new ATOM 0 HE2 LYS A 64 6.344 13.167 1.787 1.00 63.22 H new ATOM 0 HE3 LYS A 64 5.699 14.301 0.616 1.00 63.22 H new ATOM 0 HZ1 LYS A 64 7.310 15.341 2.048 1.00 4.24 H new ATOM 0 HZ2 LYS A 64 5.779 16.034 2.292 1.00 4.24 H new ATOM 0 HZ3 LYS A 64 6.404 14.935 3.426 1.00 4.24 H new ATOM 1081 N ALA A 65 1.204 12.125 -0.667 1.00 24.33 N ATOM 1082 CA ALA A 65 1.192 11.940 -2.121 1.00 60.42 C ATOM 1083 C ALA A 65 0.096 12.753 -2.816 1.00 10.33 C ATOM 1084 O ALA A 65 0.335 13.334 -3.862 1.00 72.32 O ATOM 1085 CB ALA A 65 1.045 10.467 -2.463 1.00 32.43 C ATOM 0 H ALA A 65 1.127 11.251 -0.147 1.00 24.33 H new ATOM 0 HA ALA A 65 2.147 12.311 -2.493 1.00 60.42 H new ATOM 0 HB1 ALA A 65 1.038 10.344 -3.546 1.00 32.43 H new ATOM 0 HB2 ALA A 65 1.881 9.910 -2.040 1.00 32.43 H new ATOM 0 HB3 ALA A 65 0.111 10.089 -2.048 1.00 32.43 H new ATOM 1091 N LEU A 66 -1.091 12.788 -2.252 1.00 11.14 N ATOM 1092 CA LEU A 66 -2.167 13.564 -2.830 1.00 72.14 C ATOM 1093 C LEU A 66 -1.994 15.073 -2.636 1.00 22.13 C ATOM 1094 O LEU A 66 -2.505 15.857 -3.439 1.00 73.44 O ATOM 1095 CB LEU A 66 -3.567 13.076 -2.395 1.00 75.30 C ATOM 1096 CG LEU A 66 -4.107 11.786 -3.079 1.00 54.31 C ATOM 1097 CD1 LEU A 66 -3.250 10.557 -2.830 1.00 12.43 C ATOM 1098 CD2 LEU A 66 -5.550 11.527 -2.692 1.00 32.20 C ATOM 0 H LEU A 66 -1.336 12.290 -1.396 1.00 11.14 H new ATOM 0 HA LEU A 66 -2.101 13.387 -3.903 1.00 72.14 H new ATOM 0 HB2 LEU A 66 -3.548 12.907 -1.318 1.00 75.30 H new ATOM 0 HB3 LEU A 66 -4.279 13.881 -2.578 1.00 75.30 H new ATOM 0 HG LEU A 66 -4.056 11.975 -4.151 1.00 54.31 H new ATOM 0 HD11 LEU A 66 -3.689 9.698 -3.338 1.00 12.43 H new ATOM 0 HD12 LEU A 66 -2.245 10.731 -3.214 1.00 12.43 H new ATOM 0 HD13 LEU A 66 -3.200 10.359 -1.759 1.00 12.43 H new ATOM 0 HD21 LEU A 66 -5.901 10.620 -3.184 1.00 32.20 H new ATOM 0 HD22 LEU A 66 -5.620 11.404 -1.611 1.00 32.20 H new ATOM 0 HD23 LEU A 66 -6.167 12.370 -3.002 1.00 32.20 H new ATOM 1110 N ASN A 67 -1.293 15.476 -1.576 1.00 32.54 N ATOM 1111 CA ASN A 67 -0.988 16.904 -1.352 1.00 73.22 C ATOM 1112 C ASN A 67 0.134 17.348 -2.284 1.00 11.35 C ATOM 1113 O ASN A 67 0.222 18.523 -2.658 1.00 23.14 O ATOM 1114 CB ASN A 67 -0.578 17.150 0.115 1.00 43.04 C ATOM 1115 CG ASN A 67 -0.222 18.602 0.417 1.00 41.53 C ATOM 1116 OD1 ASN A 67 0.932 19.010 0.289 1.00 31.01 O ATOM 1117 ND2 ASN A 67 -1.190 19.375 0.834 1.00 13.35 N ATOM 0 H ASN A 67 -0.926 14.848 -0.861 1.00 32.54 H new ATOM 0 HA ASN A 67 -1.885 17.486 -1.564 1.00 73.22 H new ATOM 0 HB2 ASN A 67 -1.395 16.842 0.768 1.00 43.04 H new ATOM 0 HB3 ASN A 67 0.277 16.518 0.355 1.00 43.04 H new ATOM 0 HD21 ASN A 67 -1.000 20.350 1.065 1.00 13.35 H new ATOM 0 HD22 ASN A 67 -2.135 19.003 0.928 1.00 13.35 H new ATOM 1124 N LYS A 68 0.981 16.392 -2.637 1.00 44.22 N ATOM 1125 CA LYS A 68 2.112 16.585 -3.532 1.00 62.21 C ATOM 1126 C LYS A 68 1.678 17.216 -4.853 1.00 62.54 C ATOM 1127 O LYS A 68 1.157 16.502 -5.719 1.00 35.26 O ATOM 1128 CB LYS A 68 2.790 15.250 -3.788 1.00 54.24 C ATOM 1129 CG LYS A 68 4.002 15.330 -4.676 1.00 2.34 C ATOM 1130 CD LYS A 68 4.601 13.966 -4.863 1.00 15.11 C ATOM 1131 CE LYS A 68 5.805 14.011 -5.778 1.00 74.35 C ATOM 1132 NZ LYS A 68 5.469 14.551 -7.115 1.00 20.43 N ATOM 1133 OXT LYS A 68 1.872 18.438 -5.020 1.00 35.26 O ATOM 0 H LYS A 68 0.898 15.433 -2.299 1.00 44.22 H new ATOM 0 HA LYS A 68 2.814 17.268 -3.054 1.00 62.21 H new ATOM 0 HB2 LYS A 68 3.083 14.815 -2.832 1.00 54.24 H new ATOM 0 HB3 LYS A 68 2.068 14.570 -4.240 1.00 54.24 H new ATOM 0 HG2 LYS A 68 3.726 15.749 -5.643 1.00 2.34 H new ATOM 0 HG3 LYS A 68 4.740 16.002 -4.237 1.00 2.34 H new ATOM 0 HD2 LYS A 68 4.893 13.560 -3.895 1.00 15.11 H new ATOM 0 HD3 LYS A 68 3.852 13.292 -5.278 1.00 15.11 H new ATOM 0 HE2 LYS A 68 6.582 14.626 -5.324 1.00 74.35 H new ATOM 0 HE3 LYS A 68 6.216 13.007 -5.886 1.00 74.35 H new ATOM 0 HZ1 LYS A 68 5.946 13.987 -7.847 1.00 20.43 H new ATOM 0 HZ2 LYS A 68 4.440 14.506 -7.259 1.00 20.43 H new ATOM 0 HZ3 LYS A 68 5.785 15.540 -7.179 1.00 20.43 H new