USER MOD reduce.3.24.130724 H: found=0, std=0, add=559, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 559 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 22 SER OG : rot 3:sc= 0.0558 USER MOD Set 1.2: A 25 THR OG1 : rot -120:sc= 0.108 USER MOD Set 2.1: A 15 LYS NZ :NH3+ -170:sc= 1.88 (180deg=0.316) USER MOD Set 2.2: A 61 THR OG1 : rot 68:sc= 0.194 USER MOD Single : A 12 GLN : amide:sc= -0.0998 X(o=-0.1,f=-0.32) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 29 SER OG : rot 2:sc= 0.824 USER MOD Single : A 32 SER OG : rot 54:sc= 1.21 USER MOD Single : A 33 HIS : no HE2:sc= -1.26 K(o=-1.3,f=-0.69) USER MOD Single : A 36 GLN : amide:sc= 0.0945 X(o=0.095,f=-0.19) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 30:sc= 0.679 USER MOD Single : A 46 MET CE :methyl 165:sc= -1.58 (180deg=-2.38!) USER MOD Single : A 62 TYR OH : rot 29:sc= 0.7 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0398 USER MOD Single : A 72 MET CE :methyl -164:sc= -1.54 (180deg=-1.85) USER MOD Single : A 73 ASN : amide:sc= 0.326 K(o=0.33,f=-0.49) USER MOD Single : A 77 HIS : no HD1:sc= -1.5 K(o=-1.5,f=-6.1!) USER MOD Single : A 78 LYS NZ :NH3+ 166:sc= -0.0297 (180deg=-0.271) USER MOD Single : A 87 LYS NZ :NH3+ -172:sc= 1.21 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 148 N GLU A 11 -5.414 -17.604 -3.535 1.00 43.31 N ATOM 149 CA GLU A 11 -6.481 -17.509 -4.516 1.00 61.43 C ATOM 150 C GLU A 11 -6.769 -18.874 -5.123 1.00 62.01 C ATOM 151 O GLU A 11 -7.914 -19.197 -5.408 1.00 20.24 O ATOM 152 CB GLU A 11 -6.114 -16.507 -5.614 1.00 63.43 C ATOM 153 CG GLU A 11 -7.242 -16.245 -6.600 1.00 12.31 C ATOM 154 CD GLU A 11 -6.893 -15.191 -7.622 1.00 44.14 C ATOM 155 OE1 GLU A 11 -6.608 -14.045 -7.227 1.00 21.24 O ATOM 156 OE2 GLU A 11 -6.933 -15.499 -8.831 1.00 75.43 O ATOM 0 HA GLU A 11 -7.380 -17.156 -4.011 1.00 61.43 H new ATOM 0 HB2 GLU A 11 -5.821 -15.565 -5.151 1.00 63.43 H new ATOM 0 HB3 GLU A 11 -5.246 -16.879 -6.158 1.00 63.43 H new ATOM 0 HG2 GLU A 11 -7.492 -17.173 -7.113 1.00 12.31 H new ATOM 0 HG3 GLU A 11 -8.132 -15.933 -6.053 1.00 12.31 H new ATOM 163 N GLN A 12 -5.723 -19.677 -5.298 1.00 14.32 N ATOM 164 CA GLN A 12 -5.873 -21.032 -5.823 1.00 52.42 C ATOM 165 C GLN A 12 -6.839 -21.844 -4.969 1.00 75.13 C ATOM 166 O GLN A 12 -7.787 -22.443 -5.473 1.00 3.10 O ATOM 167 CB GLN A 12 -4.510 -21.729 -5.873 1.00 52.03 C ATOM 168 CG GLN A 12 -4.594 -23.247 -5.802 1.00 22.34 C ATOM 169 CD GLN A 12 -3.256 -23.921 -6.016 1.00 71.20 C ATOM 170 OE1 GLN A 12 -2.208 -23.370 -5.685 1.00 21.15 O ATOM 171 NE2 GLN A 12 -3.283 -25.118 -6.574 1.00 52.30 N ATOM 0 H GLN A 12 -4.761 -19.413 -5.084 1.00 14.32 H new ATOM 0 HA GLN A 12 -6.281 -20.963 -6.832 1.00 52.42 H new ATOM 0 HB2 GLN A 12 -4.001 -21.445 -6.794 1.00 52.03 H new ATOM 0 HB3 GLN A 12 -3.898 -21.369 -5.046 1.00 52.03 H new ATOM 0 HG2 GLN A 12 -4.991 -23.539 -4.830 1.00 22.34 H new ATOM 0 HG3 GLN A 12 -5.299 -23.603 -6.554 1.00 22.34 H new ATOM 0 HE21 GLN A 12 -4.175 -25.540 -6.834 1.00 52.30 H new ATOM 0 HE22 GLN A 12 -2.412 -25.621 -6.745 1.00 52.30 H new ATOM 180 N LEU A 13 -6.604 -21.825 -3.668 1.00 31.02 N ATOM 181 CA LEU A 13 -7.353 -22.648 -2.738 1.00 5.31 C ATOM 182 C LEU A 13 -8.790 -22.155 -2.590 1.00 61.11 C ATOM 183 O LEU A 13 -9.687 -22.924 -2.244 1.00 53.20 O ATOM 184 CB LEU A 13 -6.622 -22.666 -1.391 1.00 54.53 C ATOM 185 CG LEU A 13 -7.321 -23.411 -0.251 1.00 32.14 C ATOM 186 CD1 LEU A 13 -6.291 -24.072 0.649 1.00 44.22 C ATOM 187 CD2 LEU A 13 -8.185 -22.456 0.562 1.00 31.42 C ATOM 0 H LEU A 13 -5.892 -21.241 -3.230 1.00 31.02 H new ATOM 0 HA LEU A 13 -7.413 -23.665 -3.125 1.00 5.31 H new ATOM 0 HB2 LEU A 13 -5.639 -23.114 -1.541 1.00 54.53 H new ATOM 0 HB3 LEU A 13 -6.458 -21.635 -1.077 1.00 54.53 H new ATOM 0 HG LEU A 13 -7.963 -24.179 -0.683 1.00 32.14 H new ATOM 0 HD11 LEU A 13 -6.799 -24.599 1.457 1.00 44.22 H new ATOM 0 HD12 LEU A 13 -5.701 -24.780 0.068 1.00 44.22 H new ATOM 0 HD13 LEU A 13 -5.633 -23.311 1.069 1.00 44.22 H new ATOM 0 HD21 LEU A 13 -8.674 -23.004 1.368 1.00 31.42 H new ATOM 0 HD22 LEU A 13 -7.559 -21.670 0.985 1.00 31.42 H new ATOM 0 HD23 LEU A 13 -8.941 -22.010 -0.084 1.00 31.42 H new ATOM 199 N ARG A 14 -9.012 -20.880 -2.859 1.00 71.34 N ATOM 200 CA ARG A 14 -10.342 -20.301 -2.723 1.00 73.21 C ATOM 201 C ARG A 14 -11.058 -20.221 -4.066 1.00 0.41 C ATOM 202 O ARG A 14 -12.241 -19.884 -4.127 1.00 24.13 O ATOM 203 CB ARG A 14 -10.260 -18.913 -2.100 1.00 44.42 C ATOM 204 CG ARG A 14 -9.760 -18.915 -0.669 1.00 73.14 C ATOM 205 CD ARG A 14 -9.946 -17.554 -0.026 1.00 74.34 C ATOM 206 NE ARG A 14 -9.230 -16.495 -0.738 1.00 63.23 N ATOM 207 CZ ARG A 14 -9.164 -15.232 -0.314 1.00 64.23 C ATOM 208 NH1 ARG A 14 -9.761 -14.875 0.814 1.00 1.23 N ATOM 209 NH2 ARG A 14 -8.509 -14.321 -1.015 1.00 3.33 N ATOM 0 H ARG A 14 -8.294 -20.227 -3.172 1.00 71.34 H new ATOM 0 HA ARG A 14 -10.917 -20.956 -2.068 1.00 73.21 H new ATOM 0 HB2 ARG A 14 -9.600 -18.291 -2.705 1.00 44.42 H new ATOM 0 HB3 ARG A 14 -11.247 -18.452 -2.130 1.00 44.42 H new ATOM 0 HG2 ARG A 14 -10.297 -19.669 -0.094 1.00 73.14 H new ATOM 0 HG3 ARG A 14 -8.705 -19.189 -0.649 1.00 73.14 H new ATOM 0 HD2 ARG A 14 -11.008 -17.312 0.005 1.00 74.34 H new ATOM 0 HD3 ARG A 14 -9.598 -17.593 1.006 1.00 74.34 H new ATOM 0 HE ARG A 14 -8.755 -16.736 -1.608 1.00 63.23 H new ATOM 0 HH11 ARG A 14 -10.273 -15.567 1.361 1.00 1.23 H new ATOM 0 HH12 ARG A 14 -9.708 -13.908 1.135 1.00 1.23 H new ATOM 0 HH21 ARG A 14 -8.049 -14.582 -1.887 1.00 3.33 H new ATOM 0 HH22 ARG A 14 -8.464 -13.358 -0.683 1.00 3.33 H new ATOM 223 N LYS A 15 -10.340 -20.520 -5.134 1.00 35.41 N ATOM 224 CA LYS A 15 -10.915 -20.457 -6.469 1.00 32.42 C ATOM 225 C LYS A 15 -11.539 -21.792 -6.846 1.00 14.14 C ATOM 226 O LYS A 15 -10.972 -22.858 -6.599 1.00 2.02 O ATOM 227 CB LYS A 15 -9.863 -20.065 -7.511 1.00 10.15 C ATOM 228 CG LYS A 15 -10.460 -19.661 -8.852 1.00 13.33 C ATOM 229 CD LYS A 15 -9.392 -19.467 -9.918 1.00 12.53 C ATOM 230 CE LYS A 15 -8.383 -18.395 -9.539 1.00 4.31 C ATOM 231 NZ LYS A 15 -9.010 -17.058 -9.363 1.00 15.55 N ATOM 0 H LYS A 15 -9.362 -20.808 -5.105 1.00 35.41 H new ATOM 0 HA LYS A 15 -11.690 -19.690 -6.457 1.00 32.42 H new ATOM 0 HB2 LYS A 15 -9.269 -19.238 -7.123 1.00 10.15 H new ATOM 0 HB3 LYS A 15 -9.183 -20.903 -7.662 1.00 10.15 H new ATOM 0 HG2 LYS A 15 -11.164 -20.425 -9.180 1.00 13.33 H new ATOM 0 HG3 LYS A 15 -11.025 -18.737 -8.733 1.00 13.33 H new ATOM 0 HD2 LYS A 15 -8.871 -20.410 -10.083 1.00 12.53 H new ATOM 0 HD3 LYS A 15 -9.868 -19.197 -10.861 1.00 12.53 H new ATOM 0 HE2 LYS A 15 -7.883 -18.682 -8.614 1.00 4.31 H new ATOM 0 HE3 LYS A 15 -7.616 -18.334 -10.311 1.00 4.31 H new ATOM 0 HZ1 LYS A 15 -8.267 -16.335 -9.274 1.00 15.55 H new ATOM 0 HZ2 LYS A 15 -9.605 -16.842 -10.188 1.00 15.55 H new ATOM 0 HZ3 LYS A 15 -9.596 -17.060 -8.504 1.00 15.55 H new ATOM 245 N LEU A 16 -12.717 -21.717 -7.429 1.00 54.45 N ATOM 246 CA LEU A 16 -13.428 -22.891 -7.886 1.00 43.21 C ATOM 247 C LEU A 16 -13.351 -22.980 -9.407 1.00 63.42 C ATOM 248 O LEU A 16 -13.612 -22.002 -10.110 1.00 34.02 O ATOM 249 CB LEU A 16 -14.885 -22.799 -7.431 1.00 12.21 C ATOM 250 CG LEU A 16 -15.567 -24.127 -7.108 1.00 33.25 C ATOM 251 CD1 LEU A 16 -14.726 -24.933 -6.134 1.00 61.33 C ATOM 252 CD2 LEU A 16 -16.946 -23.874 -6.525 1.00 31.44 C ATOM 0 H LEU A 16 -13.208 -20.839 -7.599 1.00 54.45 H new ATOM 0 HA LEU A 16 -12.975 -23.788 -7.463 1.00 43.21 H new ATOM 0 HB2 LEU A 16 -14.930 -22.165 -6.546 1.00 12.21 H new ATOM 0 HB3 LEU A 16 -15.458 -22.298 -8.211 1.00 12.21 H new ATOM 0 HG LEU A 16 -15.671 -24.699 -8.030 1.00 33.25 H new ATOM 0 HD11 LEU A 16 -15.227 -25.876 -5.915 1.00 61.33 H new ATOM 0 HD12 LEU A 16 -13.750 -25.134 -6.576 1.00 61.33 H new ATOM 0 HD13 LEU A 16 -14.596 -24.368 -5.211 1.00 61.33 H new ATOM 0 HD21 LEU A 16 -17.425 -24.826 -6.298 1.00 31.44 H new ATOM 0 HD22 LEU A 16 -16.853 -23.287 -5.611 1.00 31.44 H new ATOM 0 HD23 LEU A 16 -17.552 -23.326 -7.247 1.00 31.44 H new ATOM 264 N PHE A 17 -12.966 -24.144 -9.896 1.00 30.21 N ATOM 265 CA PHE A 17 -12.898 -24.406 -11.324 1.00 72.14 C ATOM 266 C PHE A 17 -14.256 -24.881 -11.817 1.00 31.04 C ATOM 267 O PHE A 17 -14.724 -25.955 -11.436 1.00 0.12 O ATOM 268 CB PHE A 17 -11.822 -25.461 -11.611 1.00 60.51 C ATOM 269 CG PHE A 17 -11.725 -25.873 -13.055 1.00 11.12 C ATOM 270 CD1 PHE A 17 -11.683 -27.212 -13.402 1.00 13.31 C ATOM 271 CD2 PHE A 17 -11.673 -24.923 -14.061 1.00 3.02 C ATOM 272 CE1 PHE A 17 -11.587 -27.595 -14.725 1.00 13.21 C ATOM 273 CE2 PHE A 17 -11.580 -25.301 -15.386 1.00 11.44 C ATOM 274 CZ PHE A 17 -11.535 -26.638 -15.719 1.00 1.23 C ATOM 0 H PHE A 17 -12.691 -24.936 -9.315 1.00 30.21 H new ATOM 0 HA PHE A 17 -12.632 -23.490 -11.851 1.00 72.14 H new ATOM 0 HB2 PHE A 17 -10.855 -25.073 -11.291 1.00 60.51 H new ATOM 0 HB3 PHE A 17 -12.027 -26.345 -11.007 1.00 60.51 H new ATOM 0 HD1 PHE A 17 -11.726 -27.966 -12.630 1.00 13.31 H new ATOM 0 HD2 PHE A 17 -11.706 -23.874 -13.806 1.00 3.02 H new ATOM 0 HE1 PHE A 17 -11.553 -28.643 -14.982 1.00 13.21 H new ATOM 0 HE2 PHE A 17 -11.543 -24.550 -16.161 1.00 11.44 H new ATOM 0 HZ PHE A 17 -11.459 -26.936 -16.754 1.00 1.23 H new ATOM 284 N ILE A 18 -14.892 -24.068 -12.644 1.00 55.11 N ATOM 285 CA ILE A 18 -16.236 -24.357 -13.112 1.00 32.05 C ATOM 286 C ILE A 18 -16.219 -24.739 -14.582 1.00 40.04 C ATOM 287 O ILE A 18 -16.196 -23.870 -15.447 1.00 60.01 O ATOM 288 CB ILE A 18 -17.166 -23.136 -12.941 1.00 23.01 C ATOM 289 CG1 ILE A 18 -16.932 -22.451 -11.589 1.00 32.45 C ATOM 290 CG2 ILE A 18 -18.620 -23.555 -13.087 1.00 23.51 C ATOM 291 CD1 ILE A 18 -17.096 -23.362 -10.392 1.00 53.24 C ATOM 0 H ILE A 18 -14.497 -23.200 -13.006 1.00 55.11 H new ATOM 0 HA ILE A 18 -16.611 -25.186 -12.512 1.00 32.05 H new ATOM 0 HB ILE A 18 -16.932 -22.416 -13.725 1.00 23.01 H new ATOM 0 HG12 ILE A 18 -15.926 -22.032 -11.577 1.00 32.45 H new ATOM 0 HG13 ILE A 18 -17.626 -21.616 -11.493 1.00 32.45 H new ATOM 0 HG21 ILE A 18 -19.264 -22.684 -12.964 1.00 23.51 H new ATOM 0 HG22 ILE A 18 -18.777 -23.986 -14.076 1.00 23.51 H new ATOM 0 HG23 ILE A 18 -18.863 -24.296 -12.326 1.00 23.51 H new ATOM 0 HD11 ILE A 18 -16.913 -22.798 -9.478 1.00 53.24 H new ATOM 0 HD12 ILE A 18 -18.110 -23.762 -10.375 1.00 53.24 H new ATOM 0 HD13 ILE A 18 -16.383 -24.184 -10.460 1.00 53.24 H new ATOM 303 N GLY A 19 -16.229 -26.029 -14.868 1.00 55.22 N ATOM 304 CA GLY A 19 -16.184 -26.466 -16.247 1.00 11.31 C ATOM 305 C GLY A 19 -17.458 -27.160 -16.674 1.00 20.34 C ATOM 306 O GLY A 19 -18.137 -27.792 -15.858 1.00 15.21 O ATOM 0 H GLY A 19 -16.267 -26.778 -14.177 1.00 55.22 H new ATOM 0 HA2 GLY A 19 -16.009 -25.605 -16.892 1.00 11.31 H new ATOM 0 HA3 GLY A 19 -15.341 -27.144 -16.383 1.00 11.31 H new ATOM 310 N GLY A 20 -17.795 -27.026 -17.948 1.00 11.41 N ATOM 311 CA GLY A 20 -18.954 -27.703 -18.488 1.00 50.30 C ATOM 312 C GLY A 20 -20.173 -26.810 -18.555 1.00 25.10 C ATOM 313 O GLY A 20 -21.282 -27.286 -18.794 1.00 3.43 O ATOM 0 H GLY A 20 -17.282 -26.456 -18.621 1.00 11.41 H new ATOM 0 HA2 GLY A 20 -18.722 -28.070 -19.488 1.00 50.30 H new ATOM 0 HA3 GLY A 20 -19.180 -28.574 -17.873 1.00 50.30 H new ATOM 317 N LEU A 21 -19.973 -25.518 -18.352 1.00 71.55 N ATOM 318 CA LEU A 21 -21.071 -24.563 -18.394 1.00 42.51 C ATOM 319 C LEU A 21 -21.398 -24.186 -19.834 1.00 42.11 C ATOM 320 O LEU A 21 -20.596 -24.415 -20.738 1.00 13.24 O ATOM 321 CB LEU A 21 -20.745 -23.331 -17.538 1.00 14.52 C ATOM 322 CG LEU A 21 -19.376 -22.680 -17.774 1.00 44.30 C ATOM 323 CD1 LEU A 21 -19.389 -21.780 -19.000 1.00 5.42 C ATOM 324 CD2 LEU A 21 -18.949 -21.896 -16.546 1.00 5.44 C ATOM 0 H LEU A 21 -19.061 -25.105 -18.156 1.00 71.55 H new ATOM 0 HA LEU A 21 -21.961 -25.029 -17.970 1.00 42.51 H new ATOM 0 HB2 LEU A 21 -21.515 -22.580 -17.713 1.00 14.52 H new ATOM 0 HB3 LEU A 21 -20.811 -23.617 -16.488 1.00 14.52 H new ATOM 0 HG LEU A 21 -18.654 -23.476 -17.956 1.00 44.30 H new ATOM 0 HD11 LEU A 21 -18.403 -21.336 -19.136 1.00 5.42 H new ATOM 0 HD12 LEU A 21 -19.647 -22.368 -19.881 1.00 5.42 H new ATOM 0 HD13 LEU A 21 -20.127 -20.990 -18.863 1.00 5.42 H new ATOM 0 HD21 LEU A 21 -17.976 -21.439 -16.726 1.00 5.44 H new ATOM 0 HD22 LEU A 21 -19.683 -21.117 -16.338 1.00 5.44 H new ATOM 0 HD23 LEU A 21 -18.881 -22.568 -15.691 1.00 5.44 H new ATOM 336 N SER A 22 -22.566 -23.600 -20.043 1.00 32.31 N ATOM 337 CA SER A 22 -23.068 -23.378 -21.386 1.00 35.10 C ATOM 338 C SER A 22 -22.476 -22.116 -22.000 1.00 63.13 C ATOM 339 O SER A 22 -21.782 -21.346 -21.334 1.00 51.43 O ATOM 340 CB SER A 22 -24.595 -23.289 -21.354 1.00 15.23 C ATOM 341 OG SER A 22 -25.030 -22.315 -20.420 1.00 22.44 O ATOM 0 H SER A 22 -23.182 -23.271 -19.300 1.00 32.31 H new ATOM 0 HA SER A 22 -22.766 -24.220 -22.009 1.00 35.10 H new ATOM 0 HB2 SER A 22 -24.969 -23.038 -22.347 1.00 15.23 H new ATOM 0 HB3 SER A 22 -25.014 -24.261 -21.092 1.00 15.23 H new ATOM 0 HG SER A 22 -24.251 -21.870 -20.024 1.00 22.44 H new ATOM 347 N PHE A 23 -22.770 -21.898 -23.273 1.00 32.41 N ATOM 348 CA PHE A 23 -22.317 -20.704 -23.966 1.00 63.01 C ATOM 349 C PHE A 23 -23.250 -19.547 -23.653 1.00 25.42 C ATOM 350 O PHE A 23 -23.083 -18.433 -24.147 1.00 40.51 O ATOM 351 CB PHE A 23 -22.242 -20.956 -25.472 1.00 41.12 C ATOM 352 CG PHE A 23 -21.333 -22.098 -25.829 1.00 2.35 C ATOM 353 CD1 PHE A 23 -21.850 -23.353 -26.104 1.00 63.32 C ATOM 354 CD2 PHE A 23 -19.960 -21.920 -25.872 1.00 45.31 C ATOM 355 CE1 PHE A 23 -21.017 -24.409 -26.414 1.00 62.54 C ATOM 356 CE2 PHE A 23 -19.120 -22.973 -26.184 1.00 52.34 C ATOM 357 CZ PHE A 23 -19.650 -24.219 -26.454 1.00 43.44 C ATOM 0 H PHE A 23 -23.322 -22.535 -23.847 1.00 32.41 H new ATOM 0 HA PHE A 23 -21.315 -20.447 -23.621 1.00 63.01 H new ATOM 0 HB2 PHE A 23 -23.243 -21.163 -25.851 1.00 41.12 H new ATOM 0 HB3 PHE A 23 -21.893 -20.051 -25.970 1.00 41.12 H new ATOM 0 HD1 PHE A 23 -22.919 -23.507 -26.076 1.00 63.32 H new ATOM 0 HD2 PHE A 23 -19.541 -20.948 -25.659 1.00 45.31 H new ATOM 0 HE1 PHE A 23 -21.434 -25.383 -26.625 1.00 62.54 H new ATOM 0 HE2 PHE A 23 -18.051 -22.821 -26.216 1.00 52.34 H new ATOM 0 HZ PHE A 23 -18.996 -25.044 -26.696 1.00 43.44 H new ATOM 367 N GLU A 24 -24.226 -19.829 -22.803 1.00 44.11 N ATOM 368 CA GLU A 24 -25.171 -18.832 -22.351 1.00 71.54 C ATOM 369 C GLU A 24 -24.679 -18.247 -21.040 1.00 20.32 C ATOM 370 O GLU A 24 -25.145 -17.199 -20.594 1.00 63.04 O ATOM 371 CB GLU A 24 -26.547 -19.471 -22.165 1.00 44.51 C ATOM 372 CG GLU A 24 -26.958 -20.373 -23.317 1.00 54.05 C ATOM 373 CD GLU A 24 -28.318 -21.008 -23.106 1.00 51.12 C ATOM 374 OE1 GLU A 24 -28.374 -22.194 -22.715 1.00 54.02 O ATOM 375 OE2 GLU A 24 -29.341 -20.320 -23.318 1.00 53.43 O ATOM 0 H GLU A 24 -24.381 -20.757 -22.410 1.00 44.11 H new ATOM 0 HA GLU A 24 -25.256 -18.037 -23.092 1.00 71.54 H new ATOM 0 HB2 GLU A 24 -26.548 -20.051 -21.242 1.00 44.51 H new ATOM 0 HB3 GLU A 24 -27.291 -18.684 -22.047 1.00 44.51 H new ATOM 0 HG2 GLU A 24 -26.971 -19.793 -24.240 1.00 54.05 H new ATOM 0 HG3 GLU A 24 -26.211 -21.157 -23.444 1.00 54.05 H new ATOM 382 N THR A 25 -23.720 -18.939 -20.438 1.00 13.41 N ATOM 383 CA THR A 25 -23.132 -18.514 -19.185 1.00 70.22 C ATOM 384 C THR A 25 -22.229 -17.302 -19.404 1.00 31.41 C ATOM 385 O THR A 25 -21.382 -17.299 -20.296 1.00 74.12 O ATOM 386 CB THR A 25 -22.317 -19.659 -18.555 1.00 54.15 C ATOM 387 OG1 THR A 25 -23.124 -20.843 -18.478 1.00 22.12 O ATOM 388 CG2 THR A 25 -21.834 -19.281 -17.164 1.00 54.44 C ATOM 0 H THR A 25 -23.332 -19.807 -20.807 1.00 13.41 H new ATOM 0 HA THR A 25 -23.940 -18.239 -18.507 1.00 70.22 H new ATOM 0 HB THR A 25 -21.447 -19.847 -19.184 1.00 54.15 H new ATOM 0 HG1 THR A 25 -23.207 -21.122 -17.542 1.00 22.12 H new ATOM 0 HG21 THR A 25 -21.261 -20.106 -16.741 1.00 54.44 H new ATOM 0 HG22 THR A 25 -21.202 -18.395 -17.227 1.00 54.44 H new ATOM 0 HG23 THR A 25 -22.692 -19.070 -16.526 1.00 54.44 H new ATOM 396 N THR A 26 -22.429 -16.273 -18.597 1.00 62.32 N ATOM 397 CA THR A 26 -21.646 -15.058 -18.701 1.00 10.50 C ATOM 398 C THR A 26 -21.172 -14.629 -17.324 1.00 42.41 C ATOM 399 O THR A 26 -21.691 -15.104 -16.318 1.00 50.24 O ATOM 400 CB THR A 26 -22.446 -13.936 -19.409 1.00 44.03 C ATOM 401 OG1 THR A 26 -21.704 -12.711 -19.425 1.00 73.12 O ATOM 402 CG2 THR A 26 -23.799 -13.716 -18.752 1.00 1.43 C ATOM 0 H THR A 26 -23.133 -16.258 -17.859 1.00 62.32 H new ATOM 0 HA THR A 26 -20.768 -15.257 -19.316 1.00 10.50 H new ATOM 0 HB THR A 26 -22.615 -14.259 -20.436 1.00 44.03 H new ATOM 0 HG1 THR A 26 -22.227 -12.017 -19.878 1.00 73.12 H new ATOM 0 HG21 THR A 26 -24.332 -12.922 -19.275 1.00 1.43 H new ATOM 0 HG22 THR A 26 -24.381 -14.637 -18.800 1.00 1.43 H new ATOM 0 HG23 THR A 26 -23.655 -13.431 -17.710 1.00 1.43 H new ATOM 410 N ASP A 27 -20.173 -13.752 -17.293 1.00 41.35 N ATOM 411 CA ASP A 27 -19.508 -13.361 -16.052 1.00 2.23 C ATOM 412 C ASP A 27 -20.513 -12.989 -14.968 1.00 24.41 C ATOM 413 O ASP A 27 -20.403 -13.440 -13.827 1.00 4.41 O ATOM 414 CB ASP A 27 -18.565 -12.183 -16.296 1.00 32.53 C ATOM 415 CG ASP A 27 -17.469 -12.484 -17.299 1.00 12.34 C ATOM 416 OD1 ASP A 27 -17.683 -12.248 -18.507 1.00 10.43 O ATOM 417 OD2 ASP A 27 -16.383 -12.942 -16.887 1.00 11.32 O ATOM 0 H ASP A 27 -19.802 -13.293 -18.125 1.00 41.35 H new ATOM 0 HA ASP A 27 -18.935 -14.222 -15.709 1.00 2.23 H new ATOM 0 HB2 ASP A 27 -19.145 -11.330 -16.649 1.00 32.53 H new ATOM 0 HB3 ASP A 27 -18.110 -11.890 -15.350 1.00 32.53 H new ATOM 422 N GLU A 28 -21.496 -12.178 -15.334 1.00 30.15 N ATOM 423 CA GLU A 28 -22.503 -11.726 -14.387 1.00 75.03 C ATOM 424 C GLU A 28 -23.349 -12.878 -13.853 1.00 65.54 C ATOM 425 O GLU A 28 -23.581 -12.968 -12.649 1.00 70.32 O ATOM 426 CB GLU A 28 -23.399 -10.655 -15.016 1.00 10.32 C ATOM 427 CG GLU A 28 -24.097 -11.102 -16.290 1.00 53.21 C ATOM 428 CD GLU A 28 -25.089 -10.079 -16.799 1.00 10.11 C ATOM 429 OE1 GLU A 28 -24.673 -9.128 -17.492 1.00 22.23 O ATOM 430 OE2 GLU A 28 -26.296 -10.227 -16.515 1.00 43.24 O ATOM 0 H GLU A 28 -21.617 -11.820 -16.281 1.00 30.15 H new ATOM 0 HA GLU A 28 -21.972 -11.290 -13.541 1.00 75.03 H new ATOM 0 HB2 GLU A 28 -24.152 -10.353 -14.288 1.00 10.32 H new ATOM 0 HB3 GLU A 28 -22.796 -9.774 -15.235 1.00 10.32 H new ATOM 0 HG2 GLU A 28 -23.351 -11.294 -17.061 1.00 53.21 H new ATOM 0 HG3 GLU A 28 -24.614 -12.044 -16.106 1.00 53.21 H new ATOM 437 N SER A 29 -23.782 -13.778 -14.727 1.00 72.12 N ATOM 438 CA SER A 29 -24.679 -14.844 -14.306 1.00 34.13 C ATOM 439 C SER A 29 -23.902 -15.934 -13.592 1.00 75.11 C ATOM 440 O SER A 29 -24.420 -16.608 -12.699 1.00 64.35 O ATOM 441 CB SER A 29 -25.434 -15.417 -15.500 1.00 1.55 C ATOM 442 OG SER A 29 -24.550 -15.799 -16.538 1.00 14.34 O ATOM 0 H SER A 29 -23.531 -13.792 -15.716 1.00 72.12 H new ATOM 0 HA SER A 29 -25.409 -14.427 -13.612 1.00 34.13 H new ATOM 0 HB2 SER A 29 -26.018 -16.281 -15.182 1.00 1.55 H new ATOM 0 HB3 SER A 29 -26.139 -14.676 -15.876 1.00 1.55 H new ATOM 0 HG SER A 29 -23.625 -15.643 -16.254 1.00 14.34 H new ATOM 448 N LEU A 30 -22.641 -16.070 -13.971 1.00 32.32 N ATOM 449 CA LEU A 30 -21.767 -17.063 -13.376 1.00 5.12 C ATOM 450 C LEU A 30 -21.550 -16.717 -11.912 1.00 43.21 C ATOM 451 O LEU A 30 -21.659 -17.574 -11.035 1.00 53.14 O ATOM 452 CB LEU A 30 -20.435 -17.115 -14.144 1.00 75.24 C ATOM 453 CG LEU A 30 -19.514 -18.314 -13.860 1.00 11.22 C ATOM 454 CD1 LEU A 30 -18.763 -18.141 -12.552 1.00 23.40 C ATOM 455 CD2 LEU A 30 -20.305 -19.611 -13.844 1.00 73.44 C ATOM 0 H LEU A 30 -22.200 -15.500 -14.693 1.00 32.32 H new ATOM 0 HA LEU A 30 -22.224 -18.051 -13.437 1.00 5.12 H new ATOM 0 HB2 LEU A 30 -20.658 -17.104 -15.211 1.00 75.24 H new ATOM 0 HB3 LEU A 30 -19.881 -16.202 -13.925 1.00 75.24 H new ATOM 0 HG LEU A 30 -18.782 -18.360 -14.666 1.00 11.22 H new ATOM 0 HD11 LEU A 30 -18.122 -19.006 -12.383 1.00 23.40 H new ATOM 0 HD12 LEU A 30 -18.151 -17.240 -12.600 1.00 23.40 H new ATOM 0 HD13 LEU A 30 -19.476 -18.052 -11.732 1.00 23.40 H new ATOM 0 HD21 LEU A 30 -19.633 -20.445 -13.641 1.00 73.44 H new ATOM 0 HD22 LEU A 30 -21.068 -19.563 -13.067 1.00 73.44 H new ATOM 0 HD23 LEU A 30 -20.783 -19.758 -14.813 1.00 73.44 H new ATOM 467 N ARG A 31 -21.279 -15.447 -11.645 1.00 15.13 N ATOM 468 CA ARG A 31 -21.064 -15.015 -10.280 1.00 25.13 C ATOM 469 C ARG A 31 -22.384 -15.016 -9.514 1.00 14.31 C ATOM 470 O ARG A 31 -22.427 -15.419 -8.363 1.00 53.52 O ATOM 471 CB ARG A 31 -20.395 -13.633 -10.224 1.00 54.35 C ATOM 472 CG ARG A 31 -21.363 -12.465 -10.154 1.00 21.03 C ATOM 473 CD ARG A 31 -20.633 -11.132 -10.119 1.00 34.11 C ATOM 474 NE ARG A 31 -19.757 -10.949 -11.276 1.00 40.03 N ATOM 475 CZ ARG A 31 -20.002 -10.089 -12.263 1.00 51.42 C ATOM 476 NH1 ARG A 31 -21.117 -9.371 -12.264 1.00 74.13 N ATOM 477 NH2 ARG A 31 -19.130 -9.942 -13.251 1.00 22.01 N ATOM 0 H ARG A 31 -21.204 -14.711 -12.347 1.00 15.13 H new ATOM 0 HA ARG A 31 -20.384 -15.721 -9.804 1.00 25.13 H new ATOM 0 HB2 ARG A 31 -19.739 -13.597 -9.355 1.00 54.35 H new ATOM 0 HB3 ARG A 31 -19.764 -13.513 -11.105 1.00 54.35 H new ATOM 0 HG2 ARG A 31 -22.030 -12.492 -11.016 1.00 21.03 H new ATOM 0 HG3 ARG A 31 -21.987 -12.562 -9.265 1.00 21.03 H new ATOM 0 HD2 ARG A 31 -21.362 -10.322 -10.086 1.00 34.11 H new ATOM 0 HD3 ARG A 31 -20.043 -11.067 -9.205 1.00 34.11 H new ATOM 0 HE ARG A 31 -18.909 -11.513 -11.330 1.00 40.03 H new ATOM 0 HH11 ARG A 31 -21.792 -9.476 -11.506 1.00 74.13 H new ATOM 0 HH12 ARG A 31 -21.300 -8.714 -13.022 1.00 74.13 H new ATOM 0 HH21 ARG A 31 -18.269 -10.488 -13.257 1.00 22.01 H new ATOM 0 HH22 ARG A 31 -19.321 -9.283 -14.005 1.00 22.01 H new ATOM 491 N SER A 32 -23.468 -14.605 -10.171 1.00 5.14 N ATOM 492 CA SER A 32 -24.771 -14.526 -9.517 1.00 0.15 C ATOM 493 C SER A 32 -25.210 -15.889 -8.993 1.00 2.32 C ATOM 494 O SER A 32 -25.788 -15.990 -7.910 1.00 60.24 O ATOM 495 CB SER A 32 -25.822 -13.968 -10.478 1.00 52.24 C ATOM 496 OG SER A 32 -25.483 -12.656 -10.891 1.00 34.45 O ATOM 0 H SER A 32 -23.469 -14.323 -11.151 1.00 5.14 H new ATOM 0 HA SER A 32 -24.675 -13.850 -8.668 1.00 0.15 H new ATOM 0 HB2 SER A 32 -25.905 -14.618 -11.349 1.00 52.24 H new ATOM 0 HB3 SER A 32 -26.797 -13.960 -9.992 1.00 52.24 H new ATOM 0 HG SER A 32 -24.576 -12.654 -11.263 1.00 34.45 H new ATOM 502 N HIS A 33 -24.926 -16.938 -9.750 1.00 42.30 N ATOM 503 CA HIS A 33 -25.284 -18.277 -9.328 1.00 51.55 C ATOM 504 C HIS A 33 -24.363 -18.780 -8.225 1.00 44.41 C ATOM 505 O HIS A 33 -24.809 -19.460 -7.312 1.00 14.03 O ATOM 506 CB HIS A 33 -25.292 -19.244 -10.514 1.00 63.04 C ATOM 507 CG HIS A 33 -26.635 -19.347 -11.172 1.00 72.25 C ATOM 508 ND1 HIS A 33 -26.966 -18.592 -12.272 1.00 52.02 N ATOM 509 CD2 HIS A 33 -27.696 -20.115 -10.829 1.00 55.12 C ATOM 510 CE1 HIS A 33 -28.215 -18.916 -12.569 1.00 10.34 C ATOM 511 NE2 HIS A 33 -28.694 -19.833 -11.722 1.00 41.20 N ATOM 0 H HIS A 33 -24.452 -16.886 -10.652 1.00 42.30 H new ATOM 0 HA HIS A 33 -26.294 -18.232 -8.920 1.00 51.55 H new ATOM 0 HB2 HIS A 33 -24.557 -18.916 -11.249 1.00 63.04 H new ATOM 0 HB3 HIS A 33 -24.983 -20.232 -10.173 1.00 63.04 H new ATOM 0 HD1 HIS A 33 -26.372 -17.921 -12.759 1.00 52.02 H new ATOM 0 HD2 HIS A 33 -27.745 -20.815 -10.008 1.00 55.12 H new ATOM 0 HE1 HIS A 33 -28.775 -18.494 -13.390 1.00 10.34 H new ATOM 519 N PHE A 34 -23.092 -18.428 -8.279 1.00 21.44 N ATOM 520 CA PHE A 34 -22.155 -18.914 -7.275 1.00 12.12 C ATOM 521 C PHE A 34 -22.139 -18.039 -6.024 1.00 4.32 C ATOM 522 O PHE A 34 -21.694 -18.481 -4.967 1.00 71.02 O ATOM 523 CB PHE A 34 -20.751 -19.054 -7.857 1.00 4.53 C ATOM 524 CG PHE A 34 -20.576 -20.317 -8.641 1.00 73.21 C ATOM 525 CD1 PHE A 34 -20.274 -21.505 -7.996 1.00 33.12 C ATOM 526 CD2 PHE A 34 -20.725 -20.325 -10.016 1.00 41.23 C ATOM 527 CE1 PHE A 34 -20.127 -22.677 -8.707 1.00 2.43 C ATOM 528 CE2 PHE A 34 -20.574 -21.492 -10.733 1.00 1.13 C ATOM 529 CZ PHE A 34 -20.278 -22.670 -10.079 1.00 24.13 C ATOM 0 H PHE A 34 -22.687 -17.820 -8.991 1.00 21.44 H new ATOM 0 HA PHE A 34 -22.503 -19.901 -6.971 1.00 12.12 H new ATOM 0 HB2 PHE A 34 -20.542 -18.199 -8.500 1.00 4.53 H new ATOM 0 HB3 PHE A 34 -20.022 -19.030 -7.047 1.00 4.53 H new ATOM 0 HD1 PHE A 34 -20.152 -21.513 -6.923 1.00 33.12 H new ATOM 0 HD2 PHE A 34 -20.962 -19.407 -10.533 1.00 41.23 H new ATOM 0 HE1 PHE A 34 -19.894 -23.597 -8.192 1.00 2.43 H new ATOM 0 HE2 PHE A 34 -20.687 -21.484 -11.807 1.00 1.13 H new ATOM 0 HZ PHE A 34 -20.165 -23.586 -10.640 1.00 24.13 H new ATOM 539 N GLU A 35 -22.651 -16.818 -6.128 1.00 13.22 N ATOM 540 CA GLU A 35 -22.732 -15.927 -4.973 1.00 75.42 C ATOM 541 C GLU A 35 -23.917 -16.292 -4.085 1.00 13.40 C ATOM 542 O GLU A 35 -24.319 -15.522 -3.214 1.00 64.22 O ATOM 543 CB GLU A 35 -22.826 -14.458 -5.391 1.00 44.40 C ATOM 544 CG GLU A 35 -21.511 -13.890 -5.897 1.00 33.10 C ATOM 545 CD GLU A 35 -21.464 -12.380 -5.837 1.00 43.52 C ATOM 546 OE1 GLU A 35 -21.125 -11.839 -4.761 1.00 45.22 O ATOM 547 OE2 GLU A 35 -21.749 -11.724 -6.858 1.00 40.14 O ATOM 0 H GLU A 35 -23.015 -16.422 -6.995 1.00 13.22 H new ATOM 0 HA GLU A 35 -21.810 -16.057 -4.406 1.00 75.42 H new ATOM 0 HB2 GLU A 35 -23.581 -14.357 -6.171 1.00 44.40 H new ATOM 0 HB3 GLU A 35 -23.165 -13.867 -4.540 1.00 44.40 H new ATOM 0 HG2 GLU A 35 -20.692 -14.298 -5.305 1.00 33.10 H new ATOM 0 HG3 GLU A 35 -21.353 -14.213 -6.926 1.00 33.10 H new ATOM 554 N GLN A 36 -24.471 -17.472 -4.311 1.00 31.42 N ATOM 555 CA GLN A 36 -25.572 -17.965 -3.501 1.00 12.04 C ATOM 556 C GLN A 36 -25.051 -18.689 -2.267 1.00 70.24 C ATOM 557 O GLN A 36 -25.680 -18.670 -1.210 1.00 2.42 O ATOM 558 CB GLN A 36 -26.448 -18.906 -4.315 1.00 32.32 C ATOM 559 CG GLN A 36 -27.275 -18.206 -5.379 1.00 52.32 C ATOM 560 CD GLN A 36 -28.085 -19.177 -6.209 1.00 71.11 C ATOM 561 OE1 GLN A 36 -29.240 -19.464 -5.907 1.00 3.32 O ATOM 562 NE2 GLN A 36 -27.462 -19.715 -7.241 1.00 61.30 N ATOM 0 H GLN A 36 -24.175 -18.108 -5.051 1.00 31.42 H new ATOM 0 HA GLN A 36 -26.167 -17.109 -3.181 1.00 12.04 H new ATOM 0 HB2 GLN A 36 -25.815 -19.654 -4.793 1.00 32.32 H new ATOM 0 HB3 GLN A 36 -27.117 -19.439 -3.640 1.00 32.32 H new ATOM 0 HG2 GLN A 36 -27.946 -17.491 -4.902 1.00 52.32 H new ATOM 0 HG3 GLN A 36 -26.615 -17.636 -6.033 1.00 52.32 H new ATOM 0 HE21 GLN A 36 -26.501 -19.446 -7.454 1.00 61.30 H new ATOM 0 HE22 GLN A 36 -27.941 -20.400 -7.826 1.00 61.30 H new ATOM 571 N TRP A 37 -23.897 -19.326 -2.406 1.00 31.41 N ATOM 572 CA TRP A 37 -23.309 -20.082 -1.309 1.00 45.14 C ATOM 573 C TRP A 37 -22.083 -19.364 -0.769 1.00 15.14 C ATOM 574 O TRP A 37 -21.285 -19.941 -0.030 1.00 22.20 O ATOM 575 CB TRP A 37 -22.944 -21.505 -1.761 1.00 22.24 C ATOM 576 CG TRP A 37 -24.131 -22.295 -2.229 1.00 63.41 C ATOM 577 CD1 TRP A 37 -24.902 -23.136 -1.479 1.00 21.33 C ATOM 578 CD2 TRP A 37 -24.687 -22.321 -3.552 1.00 11.43 C ATOM 579 NE1 TRP A 37 -25.911 -23.662 -2.244 1.00 73.44 N ATOM 580 CE2 TRP A 37 -25.798 -23.183 -3.520 1.00 51.02 C ATOM 581 CE3 TRP A 37 -24.360 -21.696 -4.756 1.00 74.43 C ATOM 582 CZ2 TRP A 37 -26.580 -23.436 -4.643 1.00 72.11 C ATOM 583 CZ3 TRP A 37 -25.137 -21.951 -5.869 1.00 43.04 C ATOM 584 CH2 TRP A 37 -26.235 -22.812 -5.806 1.00 15.13 C ATOM 0 H TRP A 37 -23.350 -19.335 -3.267 1.00 31.41 H new ATOM 0 HA TRP A 37 -24.047 -20.158 -0.511 1.00 45.14 H new ATOM 0 HB2 TRP A 37 -22.212 -21.448 -2.567 1.00 22.24 H new ATOM 0 HB3 TRP A 37 -22.467 -22.032 -0.934 1.00 22.24 H new ATOM 0 HD1 TRP A 37 -24.740 -23.355 -0.434 1.00 21.33 H new ATOM 0 HE1 TRP A 37 -26.630 -24.306 -1.915 1.00 73.44 H new ATOM 0 HE3 TRP A 37 -23.515 -21.026 -4.816 1.00 74.43 H new ATOM 0 HZ2 TRP A 37 -27.429 -24.102 -4.596 1.00 72.11 H new ATOM 0 HZ3 TRP A 37 -24.891 -21.475 -6.807 1.00 43.04 H new ATOM 0 HH2 TRP A 37 -26.822 -22.987 -6.695 1.00 15.13 H new ATOM 595 N GLY A 38 -21.945 -18.096 -1.130 1.00 62.44 N ATOM 596 CA GLY A 38 -20.823 -17.319 -0.648 1.00 65.12 C ATOM 597 C GLY A 38 -20.559 -16.072 -1.467 1.00 13.04 C ATOM 598 O GLY A 38 -21.365 -15.689 -2.313 1.00 25.43 O ATOM 0 H GLY A 38 -22.586 -17.594 -1.744 1.00 62.44 H new ATOM 0 HA2 GLY A 38 -21.007 -17.033 0.387 1.00 65.12 H new ATOM 0 HA3 GLY A 38 -19.930 -17.943 -0.652 1.00 65.12 H new ATOM 602 N THR A 39 -19.421 -15.443 -1.214 1.00 40.43 N ATOM 603 CA THR A 39 -19.048 -14.216 -1.889 1.00 32.34 C ATOM 604 C THR A 39 -17.843 -14.431 -2.796 1.00 0.35 C ATOM 605 O THR A 39 -16.801 -14.904 -2.357 1.00 21.12 O ATOM 606 CB THR A 39 -18.741 -13.109 -0.862 1.00 62.11 C ATOM 607 OG1 THR A 39 -19.953 -12.718 -0.200 1.00 51.24 O ATOM 608 CG2 THR A 39 -18.092 -11.901 -1.521 1.00 35.10 C ATOM 0 H THR A 39 -18.733 -15.771 -0.536 1.00 40.43 H new ATOM 0 HA THR A 39 -19.891 -13.906 -2.507 1.00 32.34 H new ATOM 0 HB THR A 39 -18.036 -13.507 -0.132 1.00 62.11 H new ATOM 0 HG1 THR A 39 -19.756 -12.015 0.454 1.00 51.24 H new ATOM 0 HG21 THR A 39 -17.890 -11.140 -0.767 1.00 35.10 H new ATOM 0 HG22 THR A 39 -17.157 -12.203 -1.993 1.00 35.10 H new ATOM 0 HG23 THR A 39 -18.764 -11.494 -2.276 1.00 35.10 H new ATOM 616 N LEU A 40 -17.993 -14.086 -4.064 1.00 15.14 N ATOM 617 CA LEU A 40 -16.913 -14.236 -5.022 1.00 4.23 C ATOM 618 C LEU A 40 -16.084 -12.962 -5.093 1.00 52.25 C ATOM 619 O LEU A 40 -16.553 -11.922 -5.558 1.00 60.24 O ATOM 620 CB LEU A 40 -17.482 -14.588 -6.394 1.00 0.12 C ATOM 621 CG LEU A 40 -18.458 -15.755 -6.373 1.00 14.33 C ATOM 622 CD1 LEU A 40 -19.163 -15.892 -7.703 1.00 52.22 C ATOM 623 CD2 LEU A 40 -17.739 -17.037 -6.001 1.00 74.34 C ATOM 0 H LEU A 40 -18.853 -13.700 -4.453 1.00 15.14 H new ATOM 0 HA LEU A 40 -16.260 -15.046 -4.696 1.00 4.23 H new ATOM 0 HB2 LEU A 40 -17.986 -13.712 -6.804 1.00 0.12 H new ATOM 0 HB3 LEU A 40 -16.659 -14.827 -7.068 1.00 0.12 H new ATOM 0 HG LEU A 40 -19.217 -15.557 -5.616 1.00 14.33 H new ATOM 0 HD11 LEU A 40 -19.855 -16.733 -7.663 1.00 52.22 H new ATOM 0 HD12 LEU A 40 -19.715 -14.977 -7.918 1.00 52.22 H new ATOM 0 HD13 LEU A 40 -18.427 -16.065 -8.489 1.00 52.22 H new ATOM 0 HD21 LEU A 40 -18.450 -17.863 -5.990 1.00 74.34 H new ATOM 0 HD22 LEU A 40 -16.957 -17.241 -6.732 1.00 74.34 H new ATOM 0 HD23 LEU A 40 -17.292 -16.930 -5.013 1.00 74.34 H new ATOM 635 N THR A 41 -14.860 -13.054 -4.609 1.00 71.14 N ATOM 636 CA THR A 41 -13.934 -11.938 -4.620 1.00 55.44 C ATOM 637 C THR A 41 -13.265 -11.827 -5.987 1.00 32.21 C ATOM 638 O THR A 41 -12.826 -10.754 -6.404 1.00 72.41 O ATOM 639 CB THR A 41 -12.861 -12.117 -3.528 1.00 42.51 C ATOM 640 OG1 THR A 41 -12.179 -13.368 -3.713 1.00 74.12 O ATOM 641 CG2 THR A 41 -13.491 -12.091 -2.145 1.00 53.45 C ATOM 0 H THR A 41 -14.479 -13.906 -4.197 1.00 71.14 H new ATOM 0 HA THR A 41 -14.492 -11.024 -4.418 1.00 55.44 H new ATOM 0 HB THR A 41 -12.151 -11.294 -3.609 1.00 42.51 H new ATOM 0 HG1 THR A 41 -11.497 -13.475 -3.017 1.00 74.12 H new ATOM 0 HG21 THR A 41 -12.716 -12.219 -1.390 1.00 53.45 H new ATOM 0 HG22 THR A 41 -13.993 -11.136 -1.992 1.00 53.45 H new ATOM 0 HG23 THR A 41 -14.217 -12.900 -2.061 1.00 53.45 H new ATOM 649 N ASP A 42 -13.219 -12.955 -6.683 1.00 41.23 N ATOM 650 CA ASP A 42 -12.600 -13.035 -7.994 1.00 10.20 C ATOM 651 C ASP A 42 -13.390 -13.982 -8.877 1.00 53.11 C ATOM 652 O ASP A 42 -13.234 -15.198 -8.796 1.00 73.23 O ATOM 653 CB ASP A 42 -11.157 -13.523 -7.857 1.00 14.42 C ATOM 654 CG ASP A 42 -10.432 -13.655 -9.177 1.00 23.03 C ATOM 655 OD1 ASP A 42 -10.448 -14.760 -9.758 1.00 22.24 O ATOM 656 OD2 ASP A 42 -9.810 -12.664 -9.621 1.00 63.14 O ATOM 0 H ASP A 42 -13.610 -13.838 -6.353 1.00 41.23 H new ATOM 0 HA ASP A 42 -12.596 -12.045 -8.451 1.00 10.20 H new ATOM 0 HB2 ASP A 42 -10.608 -12.831 -7.219 1.00 14.42 H new ATOM 0 HB3 ASP A 42 -11.156 -14.490 -7.354 1.00 14.42 H new ATOM 661 N CYS A 43 -14.272 -13.431 -9.683 1.00 71.53 N ATOM 662 CA CYS A 43 -15.094 -14.240 -10.560 1.00 2.32 C ATOM 663 C CYS A 43 -14.888 -13.827 -12.010 1.00 64.31 C ATOM 664 O CYS A 43 -14.785 -12.637 -12.314 1.00 21.31 O ATOM 665 CB CYS A 43 -16.567 -14.114 -10.170 1.00 74.41 C ATOM 666 SG CYS A 43 -17.169 -12.410 -10.092 1.00 11.40 S ATOM 0 H CYS A 43 -14.439 -12.427 -9.750 1.00 71.53 H new ATOM 0 HA CYS A 43 -14.796 -15.283 -10.454 1.00 2.32 H new ATOM 0 HB2 CYS A 43 -17.170 -14.668 -10.889 1.00 74.41 H new ATOM 0 HB3 CYS A 43 -16.716 -14.585 -9.198 1.00 74.41 H new ATOM 0 HG CYS A 43 -16.508 -11.677 -10.938 1.00 11.40 H new ATOM 672 N VAL A 44 -14.827 -14.805 -12.900 1.00 22.31 N ATOM 673 CA VAL A 44 -14.575 -14.526 -14.307 1.00 53.34 C ATOM 674 C VAL A 44 -14.938 -15.722 -15.185 1.00 42.33 C ATOM 675 O VAL A 44 -14.840 -16.874 -14.757 1.00 31.43 O ATOM 676 CB VAL A 44 -13.090 -14.150 -14.533 1.00 73.14 C ATOM 677 CG1 VAL A 44 -12.180 -15.332 -14.229 1.00 13.10 C ATOM 678 CG2 VAL A 44 -12.860 -13.638 -15.948 1.00 64.11 C ATOM 0 H VAL A 44 -14.947 -15.793 -12.676 1.00 22.31 H new ATOM 0 HA VAL A 44 -15.206 -13.684 -14.589 1.00 53.34 H new ATOM 0 HB VAL A 44 -12.842 -13.343 -13.843 1.00 73.14 H new ATOM 0 HG11 VAL A 44 -11.142 -15.044 -14.395 1.00 13.10 H new ATOM 0 HG12 VAL A 44 -12.311 -15.634 -13.190 1.00 13.10 H new ATOM 0 HG13 VAL A 44 -12.435 -16.165 -14.884 1.00 13.10 H new ATOM 0 HG21 VAL A 44 -11.808 -13.382 -16.076 1.00 64.11 H new ATOM 0 HG22 VAL A 44 -13.135 -14.412 -16.664 1.00 64.11 H new ATOM 0 HG23 VAL A 44 -13.472 -12.752 -16.118 1.00 64.11 H new ATOM 688 N VAL A 45 -15.390 -15.438 -16.398 1.00 11.43 N ATOM 689 CA VAL A 45 -15.656 -16.472 -17.384 1.00 54.42 C ATOM 690 C VAL A 45 -14.791 -16.254 -18.613 1.00 52.43 C ATOM 691 O VAL A 45 -14.589 -15.120 -19.051 1.00 55.11 O ATOM 692 CB VAL A 45 -17.141 -16.493 -17.805 1.00 32.24 C ATOM 693 CG1 VAL A 45 -17.403 -17.584 -18.833 1.00 11.03 C ATOM 694 CG2 VAL A 45 -18.036 -16.676 -16.593 1.00 71.33 C ATOM 0 H VAL A 45 -15.581 -14.490 -16.724 1.00 11.43 H new ATOM 0 HA VAL A 45 -15.417 -17.431 -16.924 1.00 54.42 H new ATOM 0 HB VAL A 45 -17.374 -15.533 -18.266 1.00 32.24 H new ATOM 0 HG11 VAL A 45 -18.457 -17.576 -19.112 1.00 11.03 H new ATOM 0 HG12 VAL A 45 -16.792 -17.404 -19.718 1.00 11.03 H new ATOM 0 HG13 VAL A 45 -17.148 -18.554 -18.407 1.00 11.03 H new ATOM 0 HG21 VAL A 45 -19.079 -16.688 -16.909 1.00 71.33 H new ATOM 0 HG22 VAL A 45 -17.795 -17.619 -16.102 1.00 71.33 H new ATOM 0 HG23 VAL A 45 -17.878 -15.853 -15.896 1.00 71.33 H new ATOM 704 N MET A 46 -14.270 -17.338 -19.157 1.00 73.43 N ATOM 705 CA MET A 46 -13.433 -17.272 -20.340 1.00 20.01 C ATOM 706 C MET A 46 -14.281 -17.390 -21.591 1.00 10.24 C ATOM 707 O MET A 46 -15.251 -18.151 -21.624 1.00 13.23 O ATOM 708 CB MET A 46 -12.384 -18.385 -20.317 1.00 23.14 C ATOM 709 CG MET A 46 -11.286 -18.170 -19.294 1.00 23.34 C ATOM 710 SD MET A 46 -11.875 -18.207 -17.596 1.00 33.42 S ATOM 711 CE MET A 46 -10.326 -17.947 -16.749 1.00 21.24 C ATOM 0 H MET A 46 -14.413 -18.281 -18.795 1.00 73.43 H new ATOM 0 HA MET A 46 -12.923 -16.309 -20.346 1.00 20.01 H new ATOM 0 HB2 MET A 46 -12.879 -19.334 -20.111 1.00 23.14 H new ATOM 0 HB3 MET A 46 -11.935 -18.468 -21.307 1.00 23.14 H new ATOM 0 HG2 MET A 46 -10.524 -18.938 -19.423 1.00 23.34 H new ATOM 0 HG3 MET A 46 -10.806 -17.210 -19.483 1.00 23.34 H new ATOM 0 HE1 MET A 46 -10.520 -17.675 -15.711 1.00 21.24 H new ATOM 0 HE2 MET A 46 -9.736 -18.863 -16.780 1.00 21.24 H new ATOM 0 HE3 MET A 46 -9.775 -17.143 -17.237 1.00 21.24 H new ATOM 856 N ARG A 55 -15.948 -20.259 -23.328 1.00 22.21 N ATOM 857 CA ARG A 55 -14.959 -21.321 -23.426 1.00 32.42 C ATOM 858 C ARG A 55 -15.506 -22.612 -22.832 1.00 63.45 C ATOM 859 O ARG A 55 -14.873 -23.663 -22.910 1.00 12.41 O ATOM 860 CB ARG A 55 -13.682 -20.904 -22.696 1.00 34.03 C ATOM 861 CG ARG A 55 -12.550 -20.459 -23.609 1.00 21.10 C ATOM 862 CD ARG A 55 -11.673 -21.626 -24.046 1.00 15.34 C ATOM 863 NE ARG A 55 -12.357 -22.550 -24.953 1.00 13.42 N ATOM 864 CZ ARG A 55 -12.088 -23.855 -25.038 1.00 41.31 C ATOM 865 NH1 ARG A 55 -11.162 -24.408 -24.263 1.00 62.02 N ATOM 866 NH2 ARG A 55 -12.741 -24.600 -25.918 1.00 74.30 N ATOM 0 HA ARG A 55 -14.730 -21.495 -24.477 1.00 32.42 H new ATOM 0 HB2 ARG A 55 -13.920 -20.091 -22.010 1.00 34.03 H new ATOM 0 HB3 ARG A 55 -13.335 -21.741 -22.090 1.00 34.03 H new ATOM 0 HG2 ARG A 55 -12.966 -19.969 -24.489 1.00 21.10 H new ATOM 0 HG3 ARG A 55 -11.938 -19.720 -23.093 1.00 21.10 H new ATOM 0 HD2 ARG A 55 -10.781 -21.238 -24.537 1.00 15.34 H new ATOM 0 HD3 ARG A 55 -11.339 -22.172 -23.164 1.00 15.34 H new ATOM 0 HE ARG A 55 -13.086 -22.172 -25.559 1.00 13.42 H new ATOM 0 HH11 ARG A 55 -10.648 -23.835 -23.594 1.00 62.02 H new ATOM 0 HH12 ARG A 55 -10.965 -25.406 -24.337 1.00 62.02 H new ATOM 0 HH21 ARG A 55 -13.443 -24.176 -26.524 1.00 74.30 H new ATOM 0 HH22 ARG A 55 -12.541 -25.598 -25.989 1.00 74.30 H new ATOM 880 N GLY A 56 -16.689 -22.523 -22.235 1.00 14.10 N ATOM 881 CA GLY A 56 -17.294 -23.684 -21.621 1.00 11.04 C ATOM 882 C GLY A 56 -16.826 -23.886 -20.195 1.00 60.32 C ATOM 883 O GLY A 56 -16.979 -24.972 -19.633 1.00 10.51 O ATOM 0 H GLY A 56 -17.238 -21.666 -22.167 1.00 14.10 H new ATOM 0 HA2 GLY A 56 -18.379 -23.576 -21.634 1.00 11.04 H new ATOM 0 HA3 GLY A 56 -17.055 -24.570 -22.209 1.00 11.04 H new ATOM 887 N PHE A 57 -16.264 -22.833 -19.606 1.00 12.31 N ATOM 888 CA PHE A 57 -15.774 -22.888 -18.234 1.00 25.14 C ATOM 889 C PHE A 57 -15.512 -21.487 -17.690 1.00 2.34 C ATOM 890 O PHE A 57 -15.394 -20.519 -18.450 1.00 0.30 O ATOM 891 CB PHE A 57 -14.504 -23.753 -18.119 1.00 14.33 C ATOM 892 CG PHE A 57 -13.369 -23.330 -19.010 1.00 24.21 C ATOM 893 CD1 PHE A 57 -12.586 -22.229 -18.701 1.00 43.02 C ATOM 894 CD2 PHE A 57 -13.089 -24.045 -20.155 1.00 62.30 C ATOM 895 CE1 PHE A 57 -11.548 -21.848 -19.527 1.00 62.00 C ATOM 896 CE2 PHE A 57 -12.050 -23.672 -20.986 1.00 43.14 C ATOM 897 CZ PHE A 57 -11.278 -22.570 -20.671 1.00 12.32 C ATOM 0 H PHE A 57 -16.137 -21.929 -20.061 1.00 12.31 H new ATOM 0 HA PHE A 57 -16.554 -23.354 -17.632 1.00 25.14 H new ATOM 0 HB2 PHE A 57 -14.161 -23.734 -17.084 1.00 14.33 H new ATOM 0 HB3 PHE A 57 -14.763 -24.786 -18.350 1.00 14.33 H new ATOM 0 HD1 PHE A 57 -12.790 -21.663 -17.804 1.00 43.02 H new ATOM 0 HD2 PHE A 57 -13.689 -24.907 -20.406 1.00 62.30 H new ATOM 0 HE1 PHE A 57 -10.948 -20.985 -19.278 1.00 62.00 H new ATOM 0 HE2 PHE A 57 -11.842 -24.241 -21.880 1.00 43.14 H new ATOM 0 HZ PHE A 57 -10.466 -22.275 -21.319 1.00 12.32 H new ATOM 907 N GLY A 58 -15.434 -21.396 -16.373 1.00 33.34 N ATOM 908 CA GLY A 58 -15.148 -20.143 -15.708 1.00 22.04 C ATOM 909 C GLY A 58 -14.561 -20.385 -14.334 1.00 22.04 C ATOM 910 O GLY A 58 -14.417 -21.536 -13.916 1.00 64.42 O ATOM 0 H GLY A 58 -15.567 -22.185 -15.741 1.00 33.34 H new ATOM 0 HA2 GLY A 58 -14.451 -19.558 -16.308 1.00 22.04 H new ATOM 0 HA3 GLY A 58 -16.062 -19.556 -15.620 1.00 22.04 H new ATOM 914 N PHE A 59 -14.225 -19.319 -13.624 1.00 3.12 N ATOM 915 CA PHE A 59 -13.624 -19.449 -12.304 1.00 73.10 C ATOM 916 C PHE A 59 -14.277 -18.510 -11.307 1.00 31.04 C ATOM 917 O PHE A 59 -14.761 -17.434 -11.665 1.00 52.31 O ATOM 918 CB PHE A 59 -12.123 -19.174 -12.359 1.00 34.13 C ATOM 919 CG PHE A 59 -11.350 -20.194 -13.141 1.00 5.11 C ATOM 920 CD1 PHE A 59 -10.789 -21.290 -12.510 1.00 13.32 C ATOM 921 CD2 PHE A 59 -11.180 -20.052 -14.504 1.00 50.34 C ATOM 922 CE1 PHE A 59 -10.070 -22.222 -13.229 1.00 3.44 C ATOM 923 CE2 PHE A 59 -10.464 -20.981 -15.230 1.00 34.53 C ATOM 924 CZ PHE A 59 -9.907 -22.066 -14.591 1.00 33.34 C ATOM 0 H PHE A 59 -14.357 -18.357 -13.937 1.00 3.12 H new ATOM 0 HA PHE A 59 -13.786 -20.475 -11.974 1.00 73.10 H new ATOM 0 HB2 PHE A 59 -11.959 -18.191 -12.800 1.00 34.13 H new ATOM 0 HB3 PHE A 59 -11.732 -19.137 -11.342 1.00 34.13 H new ATOM 0 HD1 PHE A 59 -10.915 -21.417 -11.445 1.00 13.32 H new ATOM 0 HD2 PHE A 59 -11.614 -19.201 -15.009 1.00 50.34 H new ATOM 0 HE1 PHE A 59 -9.635 -23.073 -12.727 1.00 3.44 H new ATOM 0 HE2 PHE A 59 -10.341 -20.858 -16.296 1.00 34.53 H new ATOM 0 HZ PHE A 59 -9.343 -22.794 -15.155 1.00 33.34 H new ATOM 934 N VAL A 60 -14.274 -18.927 -10.050 1.00 74.30 N ATOM 935 CA VAL A 60 -14.911 -18.177 -8.978 1.00 55.33 C ATOM 936 C VAL A 60 -14.164 -18.351 -7.667 1.00 30.04 C ATOM 937 O VAL A 60 -14.127 -19.436 -7.095 1.00 31.40 O ATOM 938 CB VAL A 60 -16.383 -18.582 -8.798 1.00 52.33 C ATOM 939 CG1 VAL A 60 -17.253 -17.750 -9.706 1.00 33.41 C ATOM 940 CG2 VAL A 60 -16.589 -20.061 -9.060 1.00 64.43 C ATOM 0 H VAL A 60 -13.831 -19.793 -9.745 1.00 74.30 H new ATOM 0 HA VAL A 60 -14.878 -17.126 -9.265 1.00 55.33 H new ATOM 0 HB VAL A 60 -16.667 -18.396 -7.762 1.00 52.33 H new ATOM 0 HG11 VAL A 60 -18.296 -18.039 -9.576 1.00 33.41 H new ATOM 0 HG12 VAL A 60 -17.135 -16.695 -9.457 1.00 33.41 H new ATOM 0 HG13 VAL A 60 -16.958 -17.913 -10.742 1.00 33.41 H new ATOM 0 HG21 VAL A 60 -17.641 -20.312 -8.923 1.00 64.43 H new ATOM 0 HG22 VAL A 60 -16.290 -20.295 -10.082 1.00 64.43 H new ATOM 0 HG23 VAL A 60 -15.984 -20.642 -8.363 1.00 64.43 H new ATOM 950 N THR A 61 -13.551 -17.276 -7.213 1.00 14.02 N ATOM 951 CA THR A 61 -12.799 -17.286 -5.976 1.00 43.12 C ATOM 952 C THR A 61 -13.660 -16.738 -4.852 1.00 42.31 C ATOM 953 O THR A 61 -14.043 -15.569 -4.875 1.00 15.14 O ATOM 954 CB THR A 61 -11.526 -16.435 -6.105 1.00 63.40 C ATOM 955 OG1 THR A 61 -10.903 -16.678 -7.377 1.00 12.13 O ATOM 956 CG2 THR A 61 -10.544 -16.745 -4.987 1.00 0.04 C ATOM 0 H THR A 61 -13.560 -16.374 -7.690 1.00 14.02 H new ATOM 0 HA THR A 61 -12.511 -18.314 -5.755 1.00 43.12 H new ATOM 0 HB THR A 61 -11.810 -15.385 -6.031 1.00 63.40 H new ATOM 0 HG1 THR A 61 -11.471 -16.323 -8.092 1.00 12.13 H new ATOM 0 HG21 THR A 61 -9.653 -16.128 -5.104 1.00 0.04 H new ATOM 0 HG22 THR A 61 -11.009 -16.532 -4.025 1.00 0.04 H new ATOM 0 HG23 THR A 61 -10.265 -17.798 -5.030 1.00 0.04 H new ATOM 964 N TYR A 62 -13.981 -17.580 -3.890 1.00 24.34 N ATOM 965 CA TYR A 62 -14.826 -17.177 -2.778 1.00 25.51 C ATOM 966 C TYR A 62 -14.039 -16.365 -1.755 1.00 4.10 C ATOM 967 O TYR A 62 -12.818 -16.229 -1.862 1.00 21.41 O ATOM 968 CB TYR A 62 -15.455 -18.404 -2.119 1.00 64.32 C ATOM 969 CG TYR A 62 -16.622 -18.976 -2.894 1.00 32.13 C ATOM 970 CD1 TYR A 62 -17.918 -18.565 -2.619 1.00 31.31 C ATOM 971 CD2 TYR A 62 -16.434 -19.925 -3.892 1.00 64.24 C ATOM 972 CE1 TYR A 62 -18.994 -19.081 -3.310 1.00 13.34 C ATOM 973 CE2 TYR A 62 -17.507 -20.446 -4.590 1.00 13.13 C ATOM 974 CZ TYR A 62 -18.785 -20.020 -4.293 1.00 1.15 C ATOM 975 OH TYR A 62 -19.859 -20.528 -4.983 1.00 23.22 O ATOM 0 H TYR A 62 -13.670 -18.551 -3.854 1.00 24.34 H new ATOM 0 HA TYR A 62 -15.621 -16.542 -3.169 1.00 25.51 H new ATOM 0 HB2 TYR A 62 -14.693 -19.175 -2.004 1.00 64.32 H new ATOM 0 HB3 TYR A 62 -15.791 -18.136 -1.117 1.00 64.32 H new ATOM 0 HD1 TYR A 62 -18.088 -17.827 -1.849 1.00 31.31 H new ATOM 0 HD2 TYR A 62 -15.434 -20.260 -4.126 1.00 64.24 H new ATOM 0 HE1 TYR A 62 -19.996 -18.749 -3.080 1.00 13.34 H new ATOM 0 HE2 TYR A 62 -17.346 -21.182 -5.363 1.00 13.13 H new ATOM 0 HH TYR A 62 -20.573 -19.858 -5.016 1.00 23.22 H new ATOM 985 N ALA A 63 -14.746 -15.821 -0.773 1.00 23.15 N ATOM 986 CA ALA A 63 -14.123 -15.011 0.258 1.00 72.42 C ATOM 987 C ALA A 63 -13.390 -15.902 1.245 1.00 61.13 C ATOM 988 O ALA A 63 -12.416 -15.493 1.877 1.00 70.31 O ATOM 989 CB ALA A 63 -15.166 -14.162 0.970 1.00 54.00 C ATOM 0 H ALA A 63 -15.755 -15.928 -0.671 1.00 23.15 H new ATOM 0 HA ALA A 63 -13.401 -14.340 -0.208 1.00 72.42 H new ATOM 0 HB1 ALA A 63 -14.682 -13.561 1.740 1.00 54.00 H new ATOM 0 HB2 ALA A 63 -15.654 -13.505 0.250 1.00 54.00 H new ATOM 0 HB3 ALA A 63 -15.910 -14.811 1.431 1.00 54.00 H new ATOM 995 N THR A 64 -13.864 -17.132 1.363 1.00 11.13 N ATOM 996 CA THR A 64 -13.240 -18.108 2.229 1.00 43.41 C ATOM 997 C THR A 64 -13.539 -19.524 1.748 1.00 64.20 C ATOM 998 O THR A 64 -14.518 -19.757 1.031 1.00 42.21 O ATOM 999 CB THR A 64 -13.700 -17.932 3.696 1.00 11.44 C ATOM 1000 OG1 THR A 64 -13.204 -19.004 4.506 1.00 32.02 O ATOM 1001 CG2 THR A 64 -15.215 -17.876 3.800 1.00 41.13 C ATOM 0 H THR A 64 -14.685 -17.476 0.864 1.00 11.13 H new ATOM 0 HA THR A 64 -12.163 -17.945 2.190 1.00 43.41 H new ATOM 0 HB THR A 64 -13.295 -16.986 4.056 1.00 11.44 H new ATOM 0 HG1 THR A 64 -13.501 -18.879 5.432 1.00 32.02 H new ATOM 0 HG21 THR A 64 -15.504 -17.752 4.844 1.00 41.13 H new ATOM 0 HG22 THR A 64 -15.589 -17.034 3.218 1.00 41.13 H new ATOM 0 HG23 THR A 64 -15.641 -18.802 3.413 1.00 41.13 H new ATOM 1009 N VAL A 65 -12.672 -20.456 2.125 1.00 22.05 N ATOM 1010 CA VAL A 65 -12.847 -21.871 1.817 1.00 42.42 C ATOM 1011 C VAL A 65 -14.203 -22.384 2.317 1.00 23.33 C ATOM 1012 O VAL A 65 -14.792 -23.290 1.722 1.00 25.01 O ATOM 1013 CB VAL A 65 -11.700 -22.709 2.434 1.00 5.45 C ATOM 1014 CG1 VAL A 65 -11.493 -22.347 3.897 1.00 41.33 C ATOM 1015 CG2 VAL A 65 -11.966 -24.199 2.288 1.00 34.44 C ATOM 0 H VAL A 65 -11.825 -20.251 2.655 1.00 22.05 H new ATOM 0 HA VAL A 65 -12.820 -21.980 0.733 1.00 42.42 H new ATOM 0 HB VAL A 65 -10.787 -22.474 1.887 1.00 5.45 H new ATOM 0 HG11 VAL A 65 -10.683 -22.948 4.309 1.00 41.33 H new ATOM 0 HG12 VAL A 65 -11.238 -21.290 3.978 1.00 41.33 H new ATOM 0 HG13 VAL A 65 -12.410 -22.543 4.454 1.00 41.33 H new ATOM 0 HG21 VAL A 65 -11.143 -24.761 2.731 1.00 34.44 H new ATOM 0 HG22 VAL A 65 -12.895 -24.454 2.797 1.00 34.44 H new ATOM 0 HG23 VAL A 65 -12.051 -24.452 1.231 1.00 34.44 H new ATOM 1025 N GLU A 66 -14.704 -21.768 3.387 1.00 11.31 N ATOM 1026 CA GLU A 66 -15.997 -22.133 3.966 1.00 44.55 C ATOM 1027 C GLU A 66 -17.105 -22.075 2.915 1.00 14.02 C ATOM 1028 O GLU A 66 -18.034 -22.886 2.920 1.00 23.54 O ATOM 1029 CB GLU A 66 -16.343 -21.180 5.113 1.00 74.40 C ATOM 1030 CG GLU A 66 -15.312 -21.152 6.229 1.00 45.44 C ATOM 1031 CD GLU A 66 -15.252 -22.450 7.002 1.00 51.40 C ATOM 1032 OE1 GLU A 66 -16.145 -22.686 7.842 1.00 34.10 O ATOM 1033 OE2 GLU A 66 -14.306 -23.235 6.785 1.00 73.23 O ATOM 0 H GLU A 66 -14.230 -21.008 3.874 1.00 11.31 H new ATOM 0 HA GLU A 66 -15.922 -23.154 4.341 1.00 44.55 H new ATOM 0 HB2 GLU A 66 -16.456 -20.173 4.712 1.00 74.40 H new ATOM 0 HB3 GLU A 66 -17.308 -21.467 5.531 1.00 74.40 H new ATOM 0 HG2 GLU A 66 -14.330 -20.941 5.805 1.00 45.44 H new ATOM 0 HG3 GLU A 66 -15.546 -20.337 6.914 1.00 45.44 H new ATOM 1040 N GLU A 67 -16.990 -21.114 2.010 1.00 4.11 N ATOM 1041 CA GLU A 67 -18.002 -20.904 0.986 1.00 13.15 C ATOM 1042 C GLU A 67 -17.797 -21.873 -0.171 1.00 64.14 C ATOM 1043 O GLU A 67 -18.757 -22.331 -0.791 1.00 5.45 O ATOM 1044 CB GLU A 67 -17.945 -19.464 0.490 1.00 62.23 C ATOM 1045 CG GLU A 67 -17.853 -18.452 1.614 1.00 71.30 C ATOM 1046 CD GLU A 67 -17.988 -17.026 1.132 1.00 72.40 C ATOM 1047 OE1 GLU A 67 -17.170 -16.597 0.298 1.00 74.15 O ATOM 1048 OE2 GLU A 67 -18.921 -16.329 1.582 1.00 24.13 O ATOM 0 H GLU A 67 -16.204 -20.466 1.964 1.00 4.11 H new ATOM 0 HA GLU A 67 -18.985 -21.090 1.418 1.00 13.15 H new ATOM 0 HB2 GLU A 67 -17.084 -19.346 -0.168 1.00 62.23 H new ATOM 0 HB3 GLU A 67 -18.833 -19.256 -0.107 1.00 62.23 H new ATOM 0 HG2 GLU A 67 -18.633 -18.658 2.347 1.00 71.30 H new ATOM 0 HG3 GLU A 67 -16.897 -18.569 2.125 1.00 71.30 H new ATOM 1055 N VAL A 68 -16.535 -22.186 -0.447 1.00 21.21 N ATOM 1056 CA VAL A 68 -16.189 -23.163 -1.476 1.00 1.51 C ATOM 1057 C VAL A 68 -16.797 -24.522 -1.146 1.00 54.33 C ATOM 1058 O VAL A 68 -17.397 -25.170 -2.005 1.00 42.22 O ATOM 1059 CB VAL A 68 -14.652 -23.294 -1.638 1.00 32.03 C ATOM 1060 CG1 VAL A 68 -14.279 -24.525 -2.457 1.00 4.32 C ATOM 1061 CG2 VAL A 68 -14.085 -22.045 -2.289 1.00 51.05 C ATOM 0 H VAL A 68 -15.731 -21.776 0.029 1.00 21.21 H new ATOM 0 HA VAL A 68 -16.600 -22.808 -2.421 1.00 1.51 H new ATOM 0 HB VAL A 68 -14.221 -23.409 -0.643 1.00 32.03 H new ATOM 0 HG11 VAL A 68 -13.195 -24.585 -2.550 1.00 4.32 H new ATOM 0 HG12 VAL A 68 -14.650 -25.420 -1.958 1.00 4.32 H new ATOM 0 HG13 VAL A 68 -14.725 -24.451 -3.449 1.00 4.32 H new ATOM 0 HG21 VAL A 68 -13.005 -22.149 -2.397 1.00 51.05 H new ATOM 0 HG22 VAL A 68 -14.537 -21.910 -3.272 1.00 51.05 H new ATOM 0 HG23 VAL A 68 -14.305 -21.178 -1.666 1.00 51.05 H new ATOM 1071 N ASP A 69 -16.655 -24.935 0.110 1.00 1.20 N ATOM 1072 CA ASP A 69 -17.232 -26.191 0.580 1.00 70.55 C ATOM 1073 C ASP A 69 -18.738 -26.206 0.349 1.00 61.13 C ATOM 1074 O ASP A 69 -19.280 -27.175 -0.177 1.00 72.21 O ATOM 1075 CB ASP A 69 -16.921 -26.403 2.063 1.00 33.13 C ATOM 1076 CG ASP A 69 -17.358 -27.768 2.559 1.00 30.33 C ATOM 1077 OD1 ASP A 69 -18.325 -27.843 3.347 1.00 30.11 O ATOM 1078 OD2 ASP A 69 -16.739 -28.779 2.158 1.00 73.31 O ATOM 0 H ASP A 69 -16.143 -24.416 0.823 1.00 1.20 H new ATOM 0 HA ASP A 69 -16.785 -27.007 0.012 1.00 70.55 H new ATOM 0 HB2 ASP A 69 -15.850 -26.287 2.226 1.00 33.13 H new ATOM 0 HB3 ASP A 69 -17.419 -25.631 2.649 1.00 33.13 H new ATOM 1083 N ALA A 70 -19.398 -25.106 0.704 1.00 52.22 N ATOM 1084 CA ALA A 70 -20.841 -24.987 0.535 1.00 51.34 C ATOM 1085 C ALA A 70 -21.240 -25.150 -0.927 1.00 30.13 C ATOM 1086 O ALA A 70 -22.178 -25.882 -1.244 1.00 34.42 O ATOM 1087 CB ALA A 70 -21.325 -23.646 1.065 1.00 61.14 C ATOM 0 H ALA A 70 -18.954 -24.283 1.111 1.00 52.22 H new ATOM 0 HA ALA A 70 -21.314 -25.786 1.106 1.00 51.34 H new ATOM 0 HB1 ALA A 70 -22.404 -23.570 0.932 1.00 61.14 H new ATOM 0 HB2 ALA A 70 -21.083 -23.565 2.125 1.00 61.14 H new ATOM 0 HB3 ALA A 70 -20.835 -22.840 0.518 1.00 61.14 H new ATOM 1093 N ALA A 71 -20.509 -24.481 -1.811 1.00 52.34 N ATOM 1094 CA ALA A 71 -20.782 -24.543 -3.242 1.00 52.03 C ATOM 1095 C ALA A 71 -20.594 -25.958 -3.780 1.00 23.02 C ATOM 1096 O ALA A 71 -21.357 -26.415 -4.630 1.00 33.21 O ATOM 1097 CB ALA A 71 -19.888 -23.574 -3.994 1.00 21.43 C ATOM 0 H ALA A 71 -19.719 -23.887 -1.560 1.00 52.34 H new ATOM 0 HA ALA A 71 -21.823 -24.258 -3.396 1.00 52.03 H new ATOM 0 HB1 ALA A 71 -20.104 -23.632 -5.061 1.00 21.43 H new ATOM 0 HB2 ALA A 71 -20.073 -22.559 -3.641 1.00 21.43 H new ATOM 0 HB3 ALA A 71 -18.844 -23.833 -3.821 1.00 21.43 H new ATOM 1103 N MET A 72 -19.580 -26.651 -3.275 1.00 33.25 N ATOM 1104 CA MET A 72 -19.307 -28.019 -3.702 1.00 52.43 C ATOM 1105 C MET A 72 -20.427 -28.952 -3.261 1.00 14.44 C ATOM 1106 O MET A 72 -20.867 -29.812 -4.018 1.00 41.53 O ATOM 1107 CB MET A 72 -17.983 -28.532 -3.130 1.00 73.51 C ATOM 1108 CG MET A 72 -16.748 -27.789 -3.610 1.00 45.30 C ATOM 1109 SD MET A 72 -15.227 -28.622 -3.111 1.00 14.43 S ATOM 1110 CE MET A 72 -14.021 -27.743 -4.092 1.00 43.11 C ATOM 0 H MET A 72 -18.935 -26.290 -2.572 1.00 33.25 H new ATOM 0 HA MET A 72 -19.241 -28.008 -4.790 1.00 52.43 H new ATOM 0 HB2 MET A 72 -18.026 -28.471 -2.043 1.00 73.51 H new ATOM 0 HB3 MET A 72 -17.877 -29.586 -3.386 1.00 73.51 H new ATOM 0 HG2 MET A 72 -16.775 -27.703 -4.696 1.00 45.30 H new ATOM 0 HG3 MET A 72 -16.755 -26.775 -3.209 1.00 45.30 H new ATOM 0 HE1 MET A 72 -13.090 -28.310 -4.118 1.00 43.11 H new ATOM 0 HE2 MET A 72 -14.399 -27.618 -5.107 1.00 43.11 H new ATOM 0 HE3 MET A 72 -13.837 -26.764 -3.650 1.00 43.11 H new ATOM 1120 N ASN A 73 -20.890 -28.765 -2.031 1.00 21.11 N ATOM 1121 CA ASN A 73 -21.931 -29.616 -1.456 1.00 34.32 C ATOM 1122 C ASN A 73 -23.269 -29.373 -2.136 1.00 42.00 C ATOM 1123 O ASN A 73 -24.198 -30.175 -2.019 1.00 21.51 O ATOM 1124 CB ASN A 73 -22.059 -29.351 0.046 1.00 43.15 C ATOM 1125 CG ASN A 73 -20.766 -29.617 0.788 1.00 33.23 C ATOM 1126 OD1 ASN A 73 -20.010 -30.525 0.442 1.00 41.32 O ATOM 1127 ND2 ASN A 73 -20.494 -28.812 1.803 1.00 61.22 N ATOM 0 H ASN A 73 -20.560 -28.028 -1.408 1.00 21.11 H new ATOM 0 HA ASN A 73 -21.645 -30.656 -1.616 1.00 34.32 H new ATOM 0 HB2 ASN A 73 -22.361 -28.316 0.206 1.00 43.15 H new ATOM 0 HB3 ASN A 73 -22.848 -29.980 0.458 1.00 43.15 H new ATOM 0 HD21 ASN A 73 -19.630 -28.932 2.332 1.00 61.22 H new ATOM 0 HD22 ASN A 73 -21.148 -28.072 2.056 1.00 61.22 H new ATOM 1134 N ALA A 74 -23.351 -28.271 -2.864 1.00 24.35 N ATOM 1135 CA ALA A 74 -24.578 -27.882 -3.534 1.00 43.25 C ATOM 1136 C ALA A 74 -24.692 -28.529 -4.913 1.00 23.50 C ATOM 1137 O ALA A 74 -25.621 -28.236 -5.667 1.00 44.13 O ATOM 1138 CB ALA A 74 -24.647 -26.370 -3.647 1.00 0.12 C ATOM 0 H ALA A 74 -22.574 -27.626 -3.006 1.00 24.35 H new ATOM 0 HA ALA A 74 -25.419 -28.235 -2.937 1.00 43.25 H new ATOM 0 HB1 ALA A 74 -25.570 -26.085 -4.151 1.00 0.12 H new ATOM 0 HB2 ALA A 74 -24.626 -25.929 -2.650 1.00 0.12 H new ATOM 0 HB3 ALA A 74 -23.794 -26.009 -4.221 1.00 0.12 H new ATOM 1144 N ARG A 75 -23.754 -29.407 -5.248 1.00 0.13 N ATOM 1145 CA ARG A 75 -23.807 -30.111 -6.521 1.00 50.22 C ATOM 1146 C ARG A 75 -24.821 -31.257 -6.446 1.00 71.22 C ATOM 1147 O ARG A 75 -25.119 -31.752 -5.355 1.00 11.31 O ATOM 1148 CB ARG A 75 -22.421 -30.632 -6.923 1.00 41.55 C ATOM 1149 CG ARG A 75 -21.911 -31.791 -6.083 1.00 53.42 C ATOM 1150 CD ARG A 75 -20.514 -32.211 -6.516 1.00 43.21 C ATOM 1151 NE ARG A 75 -20.456 -32.558 -7.937 1.00 42.14 N ATOM 1152 CZ ARG A 75 -19.341 -32.919 -8.576 1.00 34.23 C ATOM 1153 NH1 ARG A 75 -18.190 -33.004 -7.920 1.00 0.33 N ATOM 1154 NH2 ARG A 75 -19.380 -33.202 -9.872 1.00 0.42 N ATOM 0 H ARG A 75 -22.955 -29.646 -4.661 1.00 0.13 H new ATOM 0 HA ARG A 75 -24.130 -29.409 -7.290 1.00 50.22 H new ATOM 0 HB2 ARG A 75 -22.454 -30.944 -7.967 1.00 41.55 H new ATOM 0 HB3 ARG A 75 -21.706 -29.812 -6.858 1.00 41.55 H new ATOM 0 HG2 ARG A 75 -21.898 -31.504 -5.032 1.00 53.42 H new ATOM 0 HG3 ARG A 75 -22.592 -32.637 -6.174 1.00 53.42 H new ATOM 0 HD2 ARG A 75 -19.814 -31.401 -6.313 1.00 43.21 H new ATOM 0 HD3 ARG A 75 -20.193 -33.066 -5.922 1.00 43.21 H new ATOM 0 HE ARG A 75 -21.323 -32.522 -8.473 1.00 42.14 H new ATOM 0 HH11 ARG A 75 -18.155 -32.793 -6.923 1.00 0.33 H new ATOM 0 HH12 ARG A 75 -17.341 -33.280 -8.413 1.00 0.33 H new ATOM 0 HH21 ARG A 75 -20.262 -33.144 -10.380 1.00 0.42 H new ATOM 0 HH22 ARG A 75 -18.528 -33.478 -10.360 1.00 0.42 H new ATOM 1168 N PRO A 76 -25.379 -31.696 -7.593 1.00 42.44 N ATOM 1169 CA PRO A 76 -25.048 -31.157 -8.919 1.00 70.55 C ATOM 1170 C PRO A 76 -25.438 -29.691 -9.063 1.00 51.24 C ATOM 1171 O PRO A 76 -26.594 -29.318 -8.863 1.00 64.35 O ATOM 1172 CB PRO A 76 -25.860 -32.024 -9.890 1.00 13.33 C ATOM 1173 CG PRO A 76 -26.264 -33.223 -9.103 1.00 13.10 C ATOM 1174 CD PRO A 76 -26.383 -32.763 -7.681 1.00 13.42 C ATOM 0 HA PRO A 76 -23.974 -31.189 -9.105 1.00 70.55 H new ATOM 0 HB2 PRO A 76 -26.732 -31.486 -10.263 1.00 13.33 H new ATOM 0 HB3 PRO A 76 -25.264 -32.306 -10.758 1.00 13.33 H new ATOM 0 HG2 PRO A 76 -27.211 -33.625 -9.463 1.00 13.10 H new ATOM 0 HG3 PRO A 76 -25.524 -34.018 -9.195 1.00 13.10 H new ATOM 0 HD2 PRO A 76 -27.384 -32.394 -7.459 1.00 13.42 H new ATOM 0 HD3 PRO A 76 -26.177 -33.570 -6.977 1.00 13.42 H new ATOM 1182 N HIS A 77 -24.460 -28.873 -9.405 1.00 24.33 N ATOM 1183 CA HIS A 77 -24.644 -27.436 -9.474 1.00 60.40 C ATOM 1184 C HIS A 77 -25.370 -27.047 -10.763 1.00 51.24 C ATOM 1185 O HIS A 77 -25.315 -27.769 -11.761 1.00 64.31 O ATOM 1186 CB HIS A 77 -23.280 -26.746 -9.394 1.00 25.04 C ATOM 1187 CG HIS A 77 -23.349 -25.318 -8.962 1.00 4.41 C ATOM 1188 ND1 HIS A 77 -23.870 -24.348 -9.776 1.00 41.14 N ATOM 1189 CD2 HIS A 77 -22.962 -24.755 -7.794 1.00 41.01 C ATOM 1190 CE1 HIS A 77 -23.798 -23.222 -9.099 1.00 53.02 C ATOM 1191 NE2 HIS A 77 -23.254 -23.415 -7.887 1.00 41.44 N ATOM 0 H HIS A 77 -23.518 -29.185 -9.642 1.00 24.33 H new ATOM 0 HA HIS A 77 -25.259 -27.113 -8.634 1.00 60.40 H new ATOM 0 HB2 HIS A 77 -22.646 -27.296 -8.698 1.00 25.04 H new ATOM 0 HB3 HIS A 77 -22.800 -26.797 -10.371 1.00 25.04 H new ATOM 0 HD2 HIS A 77 -22.511 -25.260 -6.952 1.00 41.01 H new ATOM 0 HE1 HIS A 77 -24.134 -22.265 -9.471 1.00 53.02 H new ATOM 0 HE2 HIS A 77 -23.089 -22.705 -7.173 1.00 41.44 H new ATOM 1199 N LYS A 78 -26.050 -25.911 -10.731 1.00 15.23 N ATOM 1200 CA LYS A 78 -26.800 -25.422 -11.877 1.00 61.21 C ATOM 1201 C LYS A 78 -26.502 -23.944 -12.105 1.00 34.30 C ATOM 1202 O LYS A 78 -26.831 -23.105 -11.269 1.00 23.13 O ATOM 1203 CB LYS A 78 -28.303 -25.629 -11.650 1.00 32.44 C ATOM 1204 CG LYS A 78 -29.183 -25.087 -12.770 1.00 13.33 C ATOM 1205 CD LYS A 78 -28.956 -25.820 -14.084 1.00 22.02 C ATOM 1206 CE LYS A 78 -29.431 -27.264 -14.025 1.00 60.11 C ATOM 1207 NZ LYS A 78 -30.889 -27.369 -13.748 1.00 13.04 N ATOM 0 H LYS A 78 -26.097 -25.304 -9.913 1.00 15.23 H new ATOM 0 HA LYS A 78 -26.498 -25.982 -12.762 1.00 61.21 H new ATOM 0 HB2 LYS A 78 -28.498 -26.695 -11.533 1.00 32.44 H new ATOM 0 HB3 LYS A 78 -28.588 -25.148 -10.714 1.00 32.44 H new ATOM 0 HG2 LYS A 78 -30.231 -25.176 -12.482 1.00 13.33 H new ATOM 0 HG3 LYS A 78 -28.980 -24.025 -12.908 1.00 13.33 H new ATOM 0 HD2 LYS A 78 -29.481 -25.299 -14.884 1.00 22.02 H new ATOM 0 HD3 LYS A 78 -27.895 -25.798 -14.332 1.00 22.02 H new ATOM 0 HE2 LYS A 78 -29.207 -27.757 -14.971 1.00 60.11 H new ATOM 0 HE3 LYS A 78 -28.877 -27.795 -13.250 1.00 60.11 H new ATOM 0 HZ1 LYS A 78 -31.212 -28.337 -13.949 1.00 13.04 H new ATOM 0 HZ2 LYS A 78 -31.070 -27.144 -12.749 1.00 13.04 H new ATOM 0 HZ3 LYS A 78 -31.406 -26.699 -14.352 1.00 13.04 H new ATOM 1221 N VAL A 79 -25.866 -23.633 -13.227 1.00 3.02 N ATOM 1222 CA VAL A 79 -25.549 -22.249 -13.568 1.00 42.11 C ATOM 1223 C VAL A 79 -26.171 -21.870 -14.902 1.00 44.42 C ATOM 1224 O VAL A 79 -25.983 -22.577 -15.895 1.00 51.31 O ATOM 1225 CB VAL A 79 -24.026 -22.011 -13.627 1.00 23.54 C ATOM 1226 CG1 VAL A 79 -23.710 -20.605 -14.114 1.00 61.34 C ATOM 1227 CG2 VAL A 79 -23.392 -22.255 -12.275 1.00 20.22 C ATOM 0 H VAL A 79 -25.559 -24.319 -13.917 1.00 3.02 H new ATOM 0 HA VAL A 79 -25.966 -21.621 -12.780 1.00 42.11 H new ATOM 0 HB VAL A 79 -23.606 -22.720 -14.340 1.00 23.54 H new ATOM 0 HG11 VAL A 79 -22.629 -20.465 -14.146 1.00 61.34 H new ATOM 0 HG12 VAL A 79 -24.124 -20.464 -15.113 1.00 61.34 H new ATOM 0 HG13 VAL A 79 -24.150 -19.877 -13.433 1.00 61.34 H new ATOM 0 HG21 VAL A 79 -22.318 -22.081 -12.340 1.00 20.22 H new ATOM 0 HG22 VAL A 79 -23.826 -21.575 -11.542 1.00 20.22 H new ATOM 0 HG23 VAL A 79 -23.575 -23.285 -11.968 1.00 20.22 H new ATOM 1237 N ASP A 80 -26.912 -20.752 -14.899 1.00 5.21 N ATOM 1238 CA ASP A 80 -27.679 -20.275 -16.062 1.00 42.24 C ATOM 1239 C ASP A 80 -28.828 -21.228 -16.378 1.00 43.11 C ATOM 1240 O ASP A 80 -29.999 -20.855 -16.363 1.00 54.44 O ATOM 1241 CB ASP A 80 -26.794 -20.119 -17.309 1.00 55.12 C ATOM 1242 CG ASP A 80 -27.565 -19.535 -18.476 1.00 24.11 C ATOM 1243 OD1 ASP A 80 -27.876 -18.324 -18.450 1.00 43.44 O ATOM 1244 OD2 ASP A 80 -27.861 -20.283 -19.425 1.00 63.01 O ATOM 0 H ASP A 80 -26.997 -20.147 -14.082 1.00 5.21 H new ATOM 0 HA ASP A 80 -28.077 -19.295 -15.798 1.00 42.24 H new ATOM 0 HB2 ASP A 80 -25.946 -19.475 -17.075 1.00 55.12 H new ATOM 0 HB3 ASP A 80 -26.388 -21.091 -17.591 1.00 55.12 H new ATOM 1249 N GLY A 81 -28.455 -22.461 -16.640 1.00 22.44 N ATOM 1250 CA GLY A 81 -29.384 -23.507 -17.007 1.00 3.31 C ATOM 1251 C GLY A 81 -28.613 -24.715 -17.477 1.00 44.45 C ATOM 1252 O GLY A 81 -29.023 -25.430 -18.389 1.00 10.12 O ATOM 0 H GLY A 81 -27.484 -22.770 -16.604 1.00 22.44 H new ATOM 0 HA2 GLY A 81 -30.009 -23.770 -16.154 1.00 3.31 H new ATOM 0 HA3 GLY A 81 -30.051 -23.157 -17.795 1.00 3.31 H new ATOM 1256 N ARG A 82 -27.468 -24.916 -16.843 1.00 33.31 N ATOM 1257 CA ARG A 82 -26.526 -25.949 -17.224 1.00 34.11 C ATOM 1258 C ARG A 82 -25.880 -26.534 -15.976 1.00 75.42 C ATOM 1259 O ARG A 82 -25.475 -25.792 -15.079 1.00 35.31 O ATOM 1260 CB ARG A 82 -25.457 -25.345 -18.143 1.00 35.23 C ATOM 1261 CG ARG A 82 -24.317 -26.286 -18.493 1.00 14.00 C ATOM 1262 CD ARG A 82 -24.802 -27.497 -19.268 1.00 74.01 C ATOM 1263 NE ARG A 82 -23.696 -28.353 -19.686 1.00 42.12 N ATOM 1264 CZ ARG A 82 -23.828 -29.634 -20.019 1.00 44.11 C ATOM 1265 NH1 ARG A 82 -25.010 -30.230 -19.927 1.00 73.43 N ATOM 1266 NH2 ARG A 82 -22.774 -30.321 -20.439 1.00 4.22 N ATOM 0 H ARG A 82 -27.167 -24.360 -16.043 1.00 33.31 H new ATOM 0 HA ARG A 82 -27.046 -26.745 -17.757 1.00 34.11 H new ATOM 0 HB2 ARG A 82 -25.934 -25.015 -19.066 1.00 35.23 H new ATOM 0 HB3 ARG A 82 -25.044 -24.458 -17.663 1.00 35.23 H new ATOM 0 HG2 ARG A 82 -23.573 -25.751 -19.083 1.00 14.00 H new ATOM 0 HG3 ARG A 82 -23.823 -26.614 -17.578 1.00 14.00 H new ATOM 0 HD2 ARG A 82 -25.492 -28.071 -18.650 1.00 74.01 H new ATOM 0 HD3 ARG A 82 -25.358 -27.168 -20.146 1.00 74.01 H new ATOM 0 HE ARG A 82 -22.763 -27.943 -19.725 1.00 42.12 H new ATOM 0 HH11 ARG A 82 -25.821 -29.706 -19.600 1.00 73.43 H new ATOM 0 HH12 ARG A 82 -25.107 -31.212 -20.183 1.00 73.43 H new ATOM 0 HH21 ARG A 82 -21.863 -29.867 -20.506 1.00 4.22 H new ATOM 0 HH22 ARG A 82 -22.874 -31.303 -20.695 1.00 4.22 H new ATOM 1280 N VAL A 83 -25.816 -27.854 -15.906 1.00 5.33 N ATOM 1281 CA VAL A 83 -25.159 -28.522 -14.794 1.00 25.04 C ATOM 1282 C VAL A 83 -23.647 -28.376 -14.922 1.00 11.10 C ATOM 1283 O VAL A 83 -23.041 -28.876 -15.871 1.00 20.21 O ATOM 1284 CB VAL A 83 -25.529 -30.018 -14.724 1.00 72.15 C ATOM 1285 CG1 VAL A 83 -24.840 -30.696 -13.546 1.00 52.22 C ATOM 1286 CG2 VAL A 83 -27.039 -30.195 -14.630 1.00 34.42 C ATOM 0 H VAL A 83 -26.210 -28.483 -16.605 1.00 5.33 H new ATOM 0 HA VAL A 83 -25.503 -28.048 -13.875 1.00 25.04 H new ATOM 0 HB VAL A 83 -25.181 -30.493 -15.641 1.00 72.15 H new ATOM 0 HG11 VAL A 83 -25.118 -31.750 -13.519 1.00 52.22 H new ATOM 0 HG12 VAL A 83 -23.759 -30.608 -13.657 1.00 52.22 H new ATOM 0 HG13 VAL A 83 -25.150 -30.216 -12.618 1.00 52.22 H new ATOM 0 HG21 VAL A 83 -27.279 -31.257 -14.582 1.00 34.42 H new ATOM 0 HG22 VAL A 83 -27.408 -29.699 -13.733 1.00 34.42 H new ATOM 0 HG23 VAL A 83 -27.512 -29.756 -15.508 1.00 34.42 H new ATOM 1296 N VAL A 84 -23.047 -27.669 -13.981 1.00 12.43 N ATOM 1297 CA VAL A 84 -21.614 -27.436 -14.012 1.00 3.34 C ATOM 1298 C VAL A 84 -20.912 -28.318 -12.993 1.00 53.12 C ATOM 1299 O VAL A 84 -21.545 -28.865 -12.090 1.00 23.11 O ATOM 1300 CB VAL A 84 -21.263 -25.956 -13.736 1.00 13.50 C ATOM 1301 CG1 VAL A 84 -21.976 -25.044 -14.720 1.00 31.15 C ATOM 1302 CG2 VAL A 84 -21.601 -25.569 -12.303 1.00 73.30 C ATOM 0 H VAL A 84 -23.529 -27.247 -13.187 1.00 12.43 H new ATOM 0 HA VAL A 84 -21.271 -27.686 -15.016 1.00 3.34 H new ATOM 0 HB VAL A 84 -20.188 -25.836 -13.871 1.00 13.50 H new ATOM 0 HG11 VAL A 84 -21.716 -24.007 -14.509 1.00 31.15 H new ATOM 0 HG12 VAL A 84 -21.671 -25.295 -15.736 1.00 31.15 H new ATOM 0 HG13 VAL A 84 -23.054 -25.175 -14.622 1.00 31.15 H new ATOM 0 HG21 VAL A 84 -21.343 -24.523 -12.138 1.00 73.30 H new ATOM 0 HG22 VAL A 84 -22.668 -25.712 -12.130 1.00 73.30 H new ATOM 0 HG23 VAL A 84 -21.034 -26.195 -11.614 1.00 73.30 H new ATOM 1312 N GLU A 85 -19.608 -28.453 -13.138 1.00 25.10 N ATOM 1313 CA GLU A 85 -18.826 -29.248 -12.210 1.00 51.54 C ATOM 1314 C GLU A 85 -17.796 -28.368 -11.519 1.00 32.44 C ATOM 1315 O GLU A 85 -16.781 -28.003 -12.114 1.00 64.12 O ATOM 1316 CB GLU A 85 -18.148 -30.416 -12.933 1.00 42.25 C ATOM 1317 CG GLU A 85 -17.383 -31.344 -12.004 1.00 44.24 C ATOM 1318 CD GLU A 85 -16.907 -32.602 -12.699 1.00 34.22 C ATOM 1319 OE1 GLU A 85 -15.768 -32.612 -13.217 1.00 4.43 O ATOM 1320 OE2 GLU A 85 -17.665 -33.594 -12.720 1.00 12.34 O ATOM 0 H GLU A 85 -19.068 -28.023 -13.889 1.00 25.10 H new ATOM 0 HA GLU A 85 -19.493 -29.666 -11.456 1.00 51.54 H new ATOM 0 HB2 GLU A 85 -18.905 -30.992 -13.465 1.00 42.25 H new ATOM 0 HB3 GLU A 85 -17.463 -30.020 -13.683 1.00 42.25 H new ATOM 0 HG2 GLU A 85 -16.524 -30.813 -11.593 1.00 44.24 H new ATOM 0 HG3 GLU A 85 -18.021 -31.617 -11.163 1.00 44.24 H new ATOM 1327 N PRO A 86 -18.071 -27.989 -10.266 1.00 44.11 N ATOM 1328 CA PRO A 86 -17.208 -27.116 -9.495 1.00 74.22 C ATOM 1329 C PRO A 86 -16.171 -27.885 -8.678 1.00 74.51 C ATOM 1330 O PRO A 86 -16.506 -28.594 -7.726 1.00 3.20 O ATOM 1331 CB PRO A 86 -18.195 -26.382 -8.584 1.00 44.31 C ATOM 1332 CG PRO A 86 -19.425 -27.241 -8.511 1.00 24.45 C ATOM 1333 CD PRO A 86 -19.259 -28.373 -9.497 1.00 44.32 C ATOM 0 HA PRO A 86 -16.615 -26.455 -10.127 1.00 74.22 H new ATOM 0 HB2 PRO A 86 -17.769 -26.229 -7.593 1.00 44.31 H new ATOM 0 HB3 PRO A 86 -18.433 -25.396 -8.984 1.00 44.31 H new ATOM 0 HG2 PRO A 86 -19.559 -27.630 -7.502 1.00 24.45 H new ATOM 0 HG3 PRO A 86 -20.314 -26.656 -8.748 1.00 24.45 H new ATOM 0 HD2 PRO A 86 -19.118 -29.328 -8.991 1.00 44.32 H new ATOM 0 HD3 PRO A 86 -20.135 -28.478 -10.138 1.00 44.32 H new ATOM 1341 N LYS A 87 -14.914 -27.746 -9.071 1.00 52.24 N ATOM 1342 CA LYS A 87 -13.810 -28.421 -8.396 1.00 51.41 C ATOM 1343 C LYS A 87 -12.763 -27.400 -7.980 1.00 24.21 C ATOM 1344 O LYS A 87 -12.794 -26.268 -8.438 1.00 45.14 O ATOM 1345 CB LYS A 87 -13.197 -29.469 -9.325 1.00 1.11 C ATOM 1346 CG LYS A 87 -14.189 -30.542 -9.742 1.00 31.31 C ATOM 1347 CD LYS A 87 -13.611 -31.499 -10.768 1.00 52.30 C ATOM 1348 CE LYS A 87 -13.328 -30.803 -12.089 1.00 74.42 C ATOM 1349 NZ LYS A 87 -13.141 -31.781 -13.192 1.00 10.20 N ATOM 0 H LYS A 87 -14.629 -27.167 -9.861 1.00 52.24 H new ATOM 0 HA LYS A 87 -14.183 -28.923 -7.504 1.00 51.41 H new ATOM 0 HB2 LYS A 87 -12.808 -28.975 -10.215 1.00 1.11 H new ATOM 0 HB3 LYS A 87 -12.350 -29.939 -8.826 1.00 1.11 H new ATOM 0 HG2 LYS A 87 -14.503 -31.104 -8.862 1.00 31.31 H new ATOM 0 HG3 LYS A 87 -15.081 -30.068 -10.153 1.00 31.31 H new ATOM 0 HD2 LYS A 87 -12.690 -31.934 -10.381 1.00 52.30 H new ATOM 0 HD3 LYS A 87 -14.308 -32.321 -10.932 1.00 52.30 H new ATOM 0 HE2 LYS A 87 -14.152 -30.133 -12.332 1.00 74.42 H new ATOM 0 HE3 LYS A 87 -12.434 -30.187 -11.992 1.00 74.42 H new ATOM 0 HZ1 LYS A 87 -12.817 -31.283 -14.046 1.00 10.20 H new ATOM 0 HZ2 LYS A 87 -12.431 -32.488 -12.913 1.00 10.20 H new ATOM 0 HZ3 LYS A 87 -14.044 -32.257 -13.390 1.00 10.20 H new ATOM 1363 N ARG A 88 -11.853 -27.789 -7.100 1.00 2.21 N ATOM 1364 CA ARG A 88 -10.803 -26.884 -6.646 1.00 3.01 C ATOM 1365 C ARG A 88 -9.905 -26.483 -7.810 1.00 24.44 C ATOM 1366 O ARG A 88 -9.436 -27.336 -8.564 1.00 11.31 O ATOM 1367 CB ARG A 88 -9.965 -27.547 -5.557 1.00 42.01 C ATOM 1368 CG ARG A 88 -9.617 -26.617 -4.415 1.00 2.13 C ATOM 1369 CD ARG A 88 -10.856 -26.241 -3.629 1.00 61.21 C ATOM 1370 NE ARG A 88 -10.525 -25.471 -2.438 1.00 73.41 N ATOM 1371 CZ ARG A 88 -10.558 -25.962 -1.201 1.00 34.44 C ATOM 1372 NH1 ARG A 88 -10.895 -27.227 -0.990 1.00 34.44 N ATOM 1373 NH2 ARG A 88 -10.230 -25.189 -0.177 1.00 62.45 N ATOM 0 H ARG A 88 -11.818 -28.721 -6.686 1.00 2.21 H new ATOM 0 HA ARG A 88 -11.276 -25.990 -6.238 1.00 3.01 H new ATOM 0 HB2 ARG A 88 -10.509 -28.406 -5.163 1.00 42.01 H new ATOM 0 HB3 ARG A 88 -9.044 -27.928 -5.999 1.00 42.01 H new ATOM 0 HG2 ARG A 88 -8.895 -27.098 -3.755 1.00 2.13 H new ATOM 0 HG3 ARG A 88 -9.142 -25.717 -4.805 1.00 2.13 H new ATOM 0 HD2 ARG A 88 -11.527 -25.661 -4.263 1.00 61.21 H new ATOM 0 HD3 ARG A 88 -11.392 -27.145 -3.341 1.00 61.21 H new ATOM 0 HE ARG A 88 -10.251 -24.496 -2.559 1.00 73.41 H new ATOM 0 HH11 ARG A 88 -11.131 -27.830 -1.778 1.00 34.44 H new ATOM 0 HH12 ARG A 88 -10.918 -27.597 -0.040 1.00 34.44 H new ATOM 0 HH21 ARG A 88 -9.953 -24.220 -0.337 1.00 62.45 H new ATOM 0 HH22 ARG A 88 -10.254 -25.562 0.772 1.00 62.45 H new ATOM 1387 N ALA A 89 -9.674 -25.190 -7.957 1.00 64.02 N ATOM 1388 CA ALA A 89 -8.883 -24.683 -9.063 1.00 40.10 C ATOM 1389 C ALA A 89 -7.389 -24.827 -8.796 1.00 13.32 C ATOM 1390 O ALA A 89 -6.900 -24.489 -7.719 1.00 34.51 O ATOM 1391 CB ALA A 89 -9.236 -23.230 -9.335 1.00 25.34 C ATOM 0 H ALA A 89 -10.024 -24.472 -7.323 1.00 64.02 H new ATOM 0 HA ALA A 89 -9.119 -25.279 -9.945 1.00 40.10 H new ATOM 0 HB1 ALA A 89 -8.637 -22.860 -10.167 1.00 25.34 H new ATOM 0 HB2 ALA A 89 -10.294 -23.154 -9.587 1.00 25.34 H new ATOM 0 HB3 ALA A 89 -9.031 -22.633 -8.446 1.00 25.34 H new ATOM 1397 N VAL A 90 -6.678 -25.358 -9.778 1.00 52.42 N ATOM 1398 CA VAL A 90 -5.227 -25.445 -9.718 1.00 22.12 C ATOM 1399 C VAL A 90 -4.625 -24.068 -9.978 1.00 62.20 C ATOM 1400 O VAL A 90 -5.161 -23.307 -10.770 1.00 43.54 O ATOM 1401 CB VAL A 90 -4.684 -26.456 -10.756 1.00 73.45 C ATOM 1402 CG1 VAL A 90 -3.172 -26.595 -10.654 1.00 73.22 C ATOM 1403 CG2 VAL A 90 -5.356 -27.810 -10.585 1.00 51.41 C ATOM 0 H VAL A 90 -7.086 -25.738 -10.632 1.00 52.42 H new ATOM 0 HA VAL A 90 -4.944 -25.793 -8.725 1.00 22.12 H new ATOM 0 HB VAL A 90 -4.919 -26.073 -11.749 1.00 73.45 H new ATOM 0 HG11 VAL A 90 -2.822 -27.312 -11.396 1.00 73.22 H new ATOM 0 HG12 VAL A 90 -2.705 -25.627 -10.836 1.00 73.22 H new ATOM 0 HG13 VAL A 90 -2.905 -26.945 -9.657 1.00 73.22 H new ATOM 0 HG21 VAL A 90 -4.961 -28.508 -11.324 1.00 51.41 H new ATOM 0 HG22 VAL A 90 -5.157 -28.191 -9.583 1.00 51.41 H new ATOM 0 HG23 VAL A 90 -6.432 -27.703 -10.726 1.00 51.41 H new