USER MOD reduce.3.24.130724 H: found=0, std=0, add=408, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 38 THR OG1 : rot -140:sc= 0 USER MOD Set 1.2: A 56 GLN : amide:sc= -2.17 K(o=-2.2,f=-2.9) USER MOD Set 2.1: A 15 MET CE :methyl -130:sc= -0.0109 (180deg=-3.01!) USER MOD Set 2.2: A 16 TYR OH : rot -176:sc= 0 USER MOD Single : A 10 THR OG1 : rot 21:sc= 0.213 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.361 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -1.58 X(o=-1.6,f=-2!) USER MOD Single : A 41 ASN : amide:sc= -0.498 X(o=-0.5,f=-0.98) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -1.04 K(o=-1,f=-13!) USER MOD Single : A 52 ASN : amide:sc=-0.00699 K(o=-0.007,f=-0.94) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -85:sc= 0.469 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 93 N THR A 10 1.422 12.797 -1.157 1.00 0.00 N ATOM 94 CA THR A 10 0.415 11.842 -0.711 1.00 0.00 C ATOM 95 C THR A 10 1.061 10.556 -0.209 1.00 0.00 C ATOM 96 O THR A 10 2.069 10.103 -0.751 1.00 0.00 O ATOM 97 CB THR A 10 -0.574 11.499 -1.842 1.00 0.00 C ATOM 98 OG1 THR A 10 -1.044 12.701 -2.462 1.00 0.00 O ATOM 99 CG2 THR A 10 -1.754 10.703 -1.305 1.00 0.00 C ATOM 0 HA THR A 10 -0.129 12.315 0.106 1.00 0.00 H new ATOM 0 HB THR A 10 -0.052 10.890 -2.580 1.00 0.00 H new ATOM 0 HG1 THR A 10 -0.413 13.429 -2.284 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.439 10.472 -2.121 1.00 0.00 H new ATOM 0 HG22 THR A 10 -1.395 9.775 -0.860 1.00 0.00 H new ATOM 0 HG23 THR A 10 -2.275 11.290 -0.549 1.00 0.00 H new ATOM 107 N LYS A 11 0.475 9.971 0.830 1.00 0.00 N ATOM 108 CA LYS A 11 0.991 8.735 1.405 1.00 0.00 C ATOM 109 C LYS A 11 -0.126 7.714 1.592 1.00 0.00 C ATOM 110 O LYS A 11 -1.260 8.071 1.910 1.00 0.00 O ATOM 111 CB LYS A 11 1.669 9.018 2.747 1.00 0.00 C ATOM 112 CG LYS A 11 2.921 9.870 2.629 1.00 0.00 C ATOM 113 CD LYS A 11 4.157 9.016 2.397 1.00 0.00 C ATOM 114 CE LYS A 11 5.324 9.850 1.892 1.00 0.00 C ATOM 115 NZ LYS A 11 6.577 9.051 1.797 1.00 0.00 N ATOM 0 H LYS A 11 -0.359 10.334 1.292 1.00 0.00 H new ATOM 0 HA LYS A 11 1.725 8.320 0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.959 9.520 3.404 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.928 8.071 3.221 1.00 0.00 H new ATOM 0 HG2 LYS A 11 2.806 10.576 1.806 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.049 10.458 3.538 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.438 8.521 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 11 3.929 8.232 1.674 1.00 0.00 H new ATOM 0 HE2 LYS A 11 5.080 10.260 0.912 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.482 10.696 2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.349 9.655 1.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.824 8.680 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 6.434 8.259 1.139 1.00 0.00 H new ATOM 129 N ALA A 12 0.203 6.441 1.396 1.00 0.00 N ATOM 130 CA ALA A 12 -0.771 5.368 1.547 1.00 0.00 C ATOM 131 C ALA A 12 -0.232 4.259 2.444 1.00 0.00 C ATOM 132 O ALA A 12 0.958 3.946 2.413 1.00 0.00 O ATOM 133 CB ALA A 12 -1.155 4.808 0.185 1.00 0.00 C ATOM 0 H ALA A 12 1.137 6.128 1.132 1.00 0.00 H new ATOM 0 HA ALA A 12 -1.661 5.783 2.021 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.883 4.007 0.313 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.590 5.600 -0.425 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.267 4.415 -0.310 1.00 0.00 H new ATOM 139 N ARG A 13 -1.115 3.669 3.243 1.00 0.00 N ATOM 140 CA ARG A 13 -0.727 2.596 4.150 1.00 0.00 C ATOM 141 C ARG A 13 -1.207 1.244 3.630 1.00 0.00 C ATOM 142 O ARG A 13 -2.343 1.110 3.174 1.00 0.00 O ATOM 143 CB ARG A 13 -1.297 2.849 5.547 1.00 0.00 C ATOM 144 CG ARG A 13 -0.650 2.003 6.632 1.00 0.00 C ATOM 145 CD ARG A 13 -1.332 2.204 7.976 1.00 0.00 C ATOM 146 NE ARG A 13 -1.082 3.534 8.523 1.00 0.00 N ATOM 147 CZ ARG A 13 -1.331 3.869 9.784 1.00 0.00 C ATOM 148 NH1 ARG A 13 -1.834 2.974 10.624 1.00 0.00 N ATOM 149 NH2 ARG A 13 -1.077 5.100 10.208 1.00 0.00 N ATOM 0 H ARG A 13 -2.104 3.916 3.281 1.00 0.00 H new ATOM 0 HA ARG A 13 0.361 2.578 4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.171 3.903 5.796 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.369 2.651 5.534 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.699 0.951 6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.405 2.262 6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -2.406 2.054 7.864 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.977 1.450 8.679 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.695 4.245 7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -2.030 2.026 10.302 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -2.024 3.234 11.592 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.690 5.791 9.565 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.269 5.356 11.177 1.00 0.00 H new ATOM 163 N VAL A 14 -0.334 0.244 3.702 1.00 0.00 N ATOM 164 CA VAL A 14 -0.668 -1.098 3.239 1.00 0.00 C ATOM 165 C VAL A 14 -1.254 -1.938 4.368 1.00 0.00 C ATOM 166 O VAL A 14 -0.838 -1.825 5.520 1.00 0.00 O ATOM 167 CB VAL A 14 0.567 -1.818 2.666 1.00 0.00 C ATOM 168 CG1 VAL A 14 0.157 -3.099 1.956 1.00 0.00 C ATOM 169 CG2 VAL A 14 1.331 -0.898 1.726 1.00 0.00 C ATOM 0 H VAL A 14 0.610 0.338 4.077 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.411 -0.985 2.450 1.00 0.00 H new ATOM 0 HB VAL A 14 1.227 -2.085 3.492 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.043 -3.594 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.343 -3.762 2.662 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.523 -2.860 1.139 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.201 -1.423 1.330 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.682 -0.599 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.659 -0.012 2.270 1.00 0.00 H new ATOM 179 N MET A 15 -2.224 -2.781 4.028 1.00 0.00 N ATOM 180 CA MET A 15 -2.867 -3.643 5.013 1.00 0.00 C ATOM 181 C MET A 15 -2.433 -5.094 4.832 1.00 0.00 C ATOM 182 O MET A 15 -2.322 -5.844 5.802 1.00 0.00 O ATOM 183 CB MET A 15 -4.389 -3.535 4.900 1.00 0.00 C ATOM 184 CG MET A 15 -4.888 -2.106 4.758 1.00 0.00 C ATOM 185 SD MET A 15 -6.626 -1.930 5.203 1.00 0.00 S ATOM 186 CE MET A 15 -7.403 -2.934 3.939 1.00 0.00 C ATOM 0 H MET A 15 -2.582 -2.885 3.078 1.00 0.00 H new ATOM 0 HA MET A 15 -2.559 -3.312 6.005 1.00 0.00 H new ATOM 0 HB2 MET A 15 -4.723 -4.115 4.040 1.00 0.00 H new ATOM 0 HB3 MET A 15 -4.843 -3.984 5.783 1.00 0.00 H new ATOM 0 HG2 MET A 15 -4.287 -1.451 5.389 1.00 0.00 H new ATOM 0 HG3 MET A 15 -4.745 -1.776 3.729 1.00 0.00 H new ATOM 0 HE1 MET A 15 -8.210 -2.370 3.471 1.00 0.00 H new ATOM 0 HE2 MET A 15 -6.664 -3.205 3.185 1.00 0.00 H new ATOM 0 HE3 MET A 15 -7.808 -3.839 4.391 1.00 0.00 H new ATOM 196 N TYR A 16 -2.190 -5.483 3.586 1.00 0.00 N ATOM 197 CA TYR A 16 -1.772 -6.845 3.278 1.00 0.00 C ATOM 198 C TYR A 16 -0.622 -6.848 2.275 1.00 0.00 C ATOM 199 O TYR A 16 -0.673 -6.162 1.254 1.00 0.00 O ATOM 200 CB TYR A 16 -2.949 -7.650 2.724 1.00 0.00 C ATOM 201 CG TYR A 16 -4.266 -7.339 3.399 1.00 0.00 C ATOM 202 CD1 TYR A 16 -4.598 -7.918 4.618 1.00 0.00 C ATOM 203 CD2 TYR A 16 -5.177 -6.466 2.819 1.00 0.00 C ATOM 204 CE1 TYR A 16 -5.800 -7.638 5.238 1.00 0.00 C ATOM 205 CE2 TYR A 16 -6.381 -6.179 3.432 1.00 0.00 C ATOM 206 CZ TYR A 16 -6.688 -6.767 4.641 1.00 0.00 C ATOM 207 OH TYR A 16 -7.886 -6.484 5.256 1.00 0.00 O ATOM 0 H TYR A 16 -2.275 -4.874 2.772 1.00 0.00 H new ATOM 0 HA TYR A 16 -1.426 -7.309 4.202 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.042 -7.453 1.656 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -2.736 -8.713 2.835 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -3.904 -8.599 5.089 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -4.940 -6.003 1.872 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -6.043 -8.098 6.184 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.078 -5.498 2.967 1.00 0.00 H new ATOM 0 HH TYR A 16 -8.422 -5.903 4.676 1.00 0.00 H new ATOM 217 N ASP A 17 0.412 -7.626 2.573 1.00 0.00 N ATOM 218 CA ASP A 17 1.575 -7.721 1.698 1.00 0.00 C ATOM 219 C ASP A 17 1.161 -8.132 0.288 1.00 0.00 C ATOM 220 O ASP A 17 0.713 -9.256 0.064 1.00 0.00 O ATOM 221 CB ASP A 17 2.582 -8.726 2.260 1.00 0.00 C ATOM 222 CG ASP A 17 2.055 -10.147 2.239 1.00 0.00 C ATOM 223 OD1 ASP A 17 0.947 -10.377 2.767 1.00 0.00 O ATOM 224 OD2 ASP A 17 2.751 -11.029 1.694 1.00 0.00 O ATOM 0 H ASP A 17 0.469 -8.200 3.414 1.00 0.00 H new ATOM 0 HA ASP A 17 2.043 -6.738 1.649 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.504 -8.675 1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.833 -8.450 3.284 1.00 0.00 H new ATOM 229 N PHE A 18 1.314 -7.212 -0.659 1.00 0.00 N ATOM 230 CA PHE A 18 0.955 -7.477 -2.047 1.00 0.00 C ATOM 231 C PHE A 18 2.190 -7.830 -2.871 1.00 0.00 C ATOM 232 O PHE A 18 2.757 -6.978 -3.554 1.00 0.00 O ATOM 233 CB PHE A 18 0.252 -6.262 -2.655 1.00 0.00 C ATOM 234 CG PHE A 18 -0.023 -6.402 -4.125 1.00 0.00 C ATOM 235 CD1 PHE A 18 -0.702 -7.506 -4.615 1.00 0.00 C ATOM 236 CD2 PHE A 18 0.398 -5.429 -5.018 1.00 0.00 C ATOM 237 CE1 PHE A 18 -0.957 -7.638 -5.967 1.00 0.00 C ATOM 238 CE2 PHE A 18 0.145 -5.555 -6.371 1.00 0.00 C ATOM 239 CZ PHE A 18 -0.532 -6.661 -6.846 1.00 0.00 C ATOM 0 H PHE A 18 1.684 -6.277 -0.490 1.00 0.00 H new ATOM 0 HA PHE A 18 0.274 -8.328 -2.064 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -0.690 -6.097 -2.131 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.867 -5.377 -2.491 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.036 -8.273 -3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.930 -4.563 -4.653 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -1.488 -8.504 -6.335 1.00 0.00 H new ATOM 0 HE2 PHE A 18 0.477 -4.789 -7.056 1.00 0.00 H new ATOM 0 HZ PHE A 18 -0.729 -6.762 -7.903 1.00 0.00 H new ATOM 249 N ALA A 19 2.600 -9.092 -2.800 1.00 0.00 N ATOM 250 CA ALA A 19 3.766 -9.559 -3.539 1.00 0.00 C ATOM 251 C ALA A 19 3.536 -9.465 -5.044 1.00 0.00 C ATOM 252 O ALA A 19 3.152 -10.443 -5.685 1.00 0.00 O ATOM 253 CB ALA A 19 4.105 -10.988 -3.143 1.00 0.00 C ATOM 0 H ALA A 19 2.142 -9.809 -2.238 1.00 0.00 H new ATOM 0 HA ALA A 19 4.608 -8.915 -3.286 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.978 -11.323 -3.703 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.321 -11.028 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.259 -11.638 -3.366 1.00 0.00 H new ATOM 259 N ALA A 20 3.772 -8.282 -5.602 1.00 0.00 N ATOM 260 CA ALA A 20 3.591 -8.062 -7.031 1.00 0.00 C ATOM 261 C ALA A 20 4.187 -9.207 -7.843 1.00 0.00 C ATOM 262 O ALA A 20 5.242 -9.740 -7.499 1.00 0.00 O ATOM 263 CB ALA A 20 4.218 -6.738 -7.444 1.00 0.00 C ATOM 0 H ALA A 20 4.089 -7.461 -5.086 1.00 0.00 H new ATOM 0 HA ALA A 20 2.521 -8.025 -7.235 1.00 0.00 H new ATOM 0 HB1 ALA A 20 4.076 -6.586 -8.514 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.744 -5.924 -6.896 1.00 0.00 H new ATOM 0 HB3 ALA A 20 5.284 -6.754 -7.219 1.00 0.00 H new ATOM 319 N ASN A 25 3.951 -4.881 -14.481 1.00 0.00 N ATOM 320 CA ASN A 25 3.880 -3.441 -14.267 1.00 0.00 C ATOM 321 C ASN A 25 3.271 -3.122 -12.905 1.00 0.00 C ATOM 322 O ASN A 25 2.569 -2.124 -12.746 1.00 0.00 O ATOM 323 CB ASN A 25 3.056 -2.780 -15.373 1.00 0.00 C ATOM 324 CG ASN A 25 3.693 -2.934 -16.741 1.00 0.00 C ATOM 325 OD1 ASN A 25 4.888 -2.691 -16.912 1.00 0.00 O ATOM 326 ND2 ASN A 25 2.897 -3.341 -17.722 1.00 0.00 N ATOM 0 HA ASN A 25 4.895 -3.045 -14.293 1.00 0.00 H new ATOM 0 HB2 ASN A 25 2.058 -3.217 -15.389 1.00 0.00 H new ATOM 0 HB3 ASN A 25 2.936 -1.720 -15.149 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.270 -3.464 -18.663 1.00 0.00 H new ATOM 0 HD22 ASN A 25 1.913 -3.531 -17.534 1.00 0.00 H new ATOM 333 N GLU A 26 3.546 -3.978 -11.925 1.00 0.00 N ATOM 334 CA GLU A 26 3.025 -3.787 -10.576 1.00 0.00 C ATOM 335 C GLU A 26 4.162 -3.607 -9.574 1.00 0.00 C ATOM 336 O GLU A 26 5.245 -4.169 -9.739 1.00 0.00 O ATOM 337 CB GLU A 26 2.155 -4.978 -10.169 1.00 0.00 C ATOM 338 CG GLU A 26 0.865 -5.089 -10.963 1.00 0.00 C ATOM 339 CD GLU A 26 -0.008 -6.240 -10.500 1.00 0.00 C ATOM 340 OE1 GLU A 26 0.541 -7.330 -10.235 1.00 0.00 O ATOM 341 OE2 GLU A 26 -1.238 -6.050 -10.403 1.00 0.00 O ATOM 0 H GLU A 26 4.126 -4.809 -12.040 1.00 0.00 H new ATOM 0 HA GLU A 26 2.416 -2.883 -10.573 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.729 -5.896 -10.294 1.00 0.00 H new ATOM 0 HB3 GLU A 26 1.913 -4.895 -9.109 1.00 0.00 H new ATOM 0 HG2 GLU A 26 0.307 -4.157 -10.875 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.103 -5.220 -12.019 1.00 0.00 H new ATOM 348 N LEU A 27 3.907 -2.819 -8.536 1.00 0.00 N ATOM 349 CA LEU A 27 4.909 -2.563 -7.506 1.00 0.00 C ATOM 350 C LEU A 27 4.705 -3.484 -6.307 1.00 0.00 C ATOM 351 O LEU A 27 3.579 -3.874 -5.994 1.00 0.00 O ATOM 352 CB LEU A 27 4.846 -1.102 -7.057 1.00 0.00 C ATOM 353 CG LEU A 27 5.922 -0.657 -6.066 1.00 0.00 C ATOM 354 CD1 LEU A 27 7.274 -0.559 -6.755 1.00 0.00 C ATOM 355 CD2 LEU A 27 5.546 0.674 -5.432 1.00 0.00 C ATOM 0 H LEU A 27 3.016 -2.346 -8.385 1.00 0.00 H new ATOM 0 HA LEU A 27 5.892 -2.764 -7.932 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.910 -0.468 -7.941 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.870 -0.923 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 27 5.993 -1.405 -5.276 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.027 -0.241 -6.034 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.548 -1.533 -7.160 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.218 0.168 -7.565 1.00 0.00 H new ATOM 0 HD21 LEU A 27 6.323 0.975 -4.730 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.446 1.432 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.599 0.570 -4.902 1.00 0.00 H new ATOM 367 N THR A 28 5.801 -3.828 -5.638 1.00 0.00 N ATOM 368 CA THR A 28 5.743 -4.702 -4.474 1.00 0.00 C ATOM 369 C THR A 28 5.740 -3.896 -3.180 1.00 0.00 C ATOM 370 O THR A 28 6.625 -3.073 -2.948 1.00 0.00 O ATOM 371 CB THR A 28 6.928 -5.685 -4.449 1.00 0.00 C ATOM 372 OG1 THR A 28 7.073 -6.311 -5.729 1.00 0.00 O ATOM 373 CG2 THR A 28 6.728 -6.749 -3.380 1.00 0.00 C ATOM 0 H THR A 28 6.740 -3.514 -5.883 1.00 0.00 H new ATOM 0 HA THR A 28 4.814 -5.266 -4.550 1.00 0.00 H new ATOM 0 HB THR A 28 7.832 -5.122 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 28 7.830 -6.933 -5.705 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.578 -7.431 -3.382 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.648 -6.273 -2.403 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.815 -7.307 -3.588 1.00 0.00 H new ATOM 381 N VAL A 29 4.738 -4.136 -2.340 1.00 0.00 N ATOM 382 CA VAL A 29 4.620 -3.433 -1.069 1.00 0.00 C ATOM 383 C VAL A 29 4.488 -4.413 0.091 1.00 0.00 C ATOM 384 O VAL A 29 4.488 -5.629 -0.105 1.00 0.00 O ATOM 385 CB VAL A 29 3.409 -2.482 -1.063 1.00 0.00 C ATOM 386 CG1 VAL A 29 3.663 -1.289 -1.972 1.00 0.00 C ATOM 387 CG2 VAL A 29 2.148 -3.223 -1.481 1.00 0.00 C ATOM 0 H VAL A 29 3.996 -4.813 -2.518 1.00 0.00 H new ATOM 0 HA VAL A 29 5.532 -2.849 -0.946 1.00 0.00 H new ATOM 0 HB VAL A 29 3.265 -2.111 -0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.797 -0.628 -1.955 1.00 0.00 H new ATOM 0 HG12 VAL A 29 4.541 -0.746 -1.623 1.00 0.00 H new ATOM 0 HG13 VAL A 29 3.834 -1.638 -2.991 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.302 -2.536 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.278 -3.624 -2.486 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.959 -4.041 -0.786 1.00 0.00 H new ATOM 397 N THR A 30 4.376 -3.877 1.303 1.00 0.00 N ATOM 398 CA THR A 30 4.243 -4.704 2.496 1.00 0.00 C ATOM 399 C THR A 30 3.363 -4.026 3.539 1.00 0.00 C ATOM 400 O THR A 30 3.295 -2.799 3.604 1.00 0.00 O ATOM 401 CB THR A 30 5.617 -5.011 3.121 1.00 0.00 C ATOM 402 OG1 THR A 30 5.458 -5.874 4.253 1.00 0.00 O ATOM 403 CG2 THR A 30 6.316 -3.730 3.548 1.00 0.00 C ATOM 0 H THR A 30 4.375 -2.873 1.484 1.00 0.00 H new ATOM 0 HA THR A 30 3.777 -5.638 2.184 1.00 0.00 H new ATOM 0 HB THR A 30 6.231 -5.507 2.369 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.336 -6.066 4.644 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.284 -3.972 3.986 1.00 0.00 H new ATOM 0 HG22 THR A 30 6.462 -3.088 2.679 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.704 -3.210 4.285 1.00 0.00 H new ATOM 411 N GLU A 31 2.691 -4.834 4.354 1.00 0.00 N ATOM 412 CA GLU A 31 1.814 -4.310 5.395 1.00 0.00 C ATOM 413 C GLU A 31 2.599 -3.464 6.393 1.00 0.00 C ATOM 414 O GLU A 31 3.480 -3.966 7.091 1.00 0.00 O ATOM 415 CB GLU A 31 1.110 -5.456 6.124 1.00 0.00 C ATOM 416 CG GLU A 31 0.285 -5.003 7.317 1.00 0.00 C ATOM 417 CD GLU A 31 -0.043 -6.141 8.265 1.00 0.00 C ATOM 418 OE1 GLU A 31 0.867 -6.941 8.567 1.00 0.00 O ATOM 419 OE2 GLU A 31 -1.208 -6.231 8.704 1.00 0.00 O ATOM 0 H GLU A 31 2.737 -5.852 4.313 1.00 0.00 H new ATOM 0 HA GLU A 31 1.065 -3.677 4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.461 -5.978 5.421 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.857 -6.174 6.461 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.830 -4.230 7.858 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.642 -4.551 6.963 1.00 0.00 H new ATOM 426 N GLY A 32 2.273 -2.177 6.455 1.00 0.00 N ATOM 427 CA GLY A 32 2.957 -1.281 7.369 1.00 0.00 C ATOM 428 C GLY A 32 3.949 -0.378 6.663 1.00 0.00 C ATOM 429 O GLY A 32 4.470 0.565 7.257 1.00 0.00 O ATOM 0 H GLY A 32 1.547 -1.738 5.888 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.222 -0.669 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 32 3.479 -1.867 8.125 1.00 0.00 H new ATOM 433 N GLU A 33 4.211 -0.669 5.393 1.00 0.00 N ATOM 434 CA GLU A 33 5.150 0.124 4.607 1.00 0.00 C ATOM 435 C GLU A 33 4.439 1.288 3.922 1.00 0.00 C ATOM 436 O GLU A 33 3.398 1.108 3.289 1.00 0.00 O ATOM 437 CB GLU A 33 5.840 -0.753 3.560 1.00 0.00 C ATOM 438 CG GLU A 33 6.574 0.039 2.491 1.00 0.00 C ATOM 439 CD GLU A 33 7.704 0.876 3.057 1.00 0.00 C ATOM 440 OE1 GLU A 33 7.461 1.623 4.028 1.00 0.00 O ATOM 441 OE2 GLU A 33 8.832 0.784 2.529 1.00 0.00 O ATOM 0 H GLU A 33 3.787 -1.447 4.887 1.00 0.00 H new ATOM 0 HA GLU A 33 5.902 0.528 5.285 1.00 0.00 H new ATOM 0 HB2 GLU A 33 6.548 -1.414 4.061 1.00 0.00 H new ATOM 0 HB3 GLU A 33 5.094 -1.388 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.974 -0.648 1.746 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.867 0.690 1.977 1.00 0.00 H new ATOM 448 N ILE A 34 5.008 2.481 4.056 1.00 0.00 N ATOM 449 CA ILE A 34 4.430 3.675 3.450 1.00 0.00 C ATOM 450 C ILE A 34 5.118 4.011 2.132 1.00 0.00 C ATOM 451 O ILE A 34 6.346 4.014 2.045 1.00 0.00 O ATOM 452 CB ILE A 34 4.530 4.889 4.393 1.00 0.00 C ATOM 453 CG1 ILE A 34 3.875 4.572 5.739 1.00 0.00 C ATOM 454 CG2 ILE A 34 3.880 6.108 3.756 1.00 0.00 C ATOM 455 CD1 ILE A 34 2.425 4.158 5.624 1.00 0.00 C ATOM 0 H ILE A 34 5.868 2.647 4.578 1.00 0.00 H new ATOM 0 HA ILE A 34 3.379 3.456 3.262 1.00 0.00 H new ATOM 0 HB ILE A 34 5.583 5.111 4.566 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.434 3.774 6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.944 5.449 6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 34 3.958 6.958 4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 34 4.386 6.343 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 34 2.829 5.898 3.557 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.026 3.949 6.617 1.00 0.00 H new ATOM 0 HD12 ILE A 34 1.852 4.964 5.165 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.350 3.263 5.007 1.00 0.00 H new ATOM 467 N ILE A 35 4.319 4.295 1.109 1.00 0.00 N ATOM 468 CA ILE A 35 4.851 4.636 -0.204 1.00 0.00 C ATOM 469 C ILE A 35 4.291 5.966 -0.696 1.00 0.00 C ATOM 470 O ILE A 35 3.403 6.548 -0.072 1.00 0.00 O ATOM 471 CB ILE A 35 4.534 3.543 -1.241 1.00 0.00 C ATOM 472 CG1 ILE A 35 3.031 3.256 -1.269 1.00 0.00 C ATOM 473 CG2 ILE A 35 5.315 2.275 -0.930 1.00 0.00 C ATOM 474 CD1 ILE A 35 2.567 2.591 -2.546 1.00 0.00 C ATOM 0 H ILE A 35 3.301 4.296 1.165 1.00 0.00 H new ATOM 0 HA ILE A 35 5.932 4.719 -0.094 1.00 0.00 H new ATOM 0 HB ILE A 35 4.835 3.899 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 35 2.775 2.618 -0.423 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.488 4.192 -1.138 1.00 0.00 H new ATOM 0 HG21 ILE A 35 5.080 1.512 -1.672 1.00 0.00 H new ATOM 0 HG22 ILE A 35 6.383 2.490 -0.956 1.00 0.00 H new ATOM 0 HG23 ILE A 35 5.042 1.913 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.492 2.418 -2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 35 2.791 3.237 -3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 35 3.083 1.639 -2.669 1.00 0.00 H new ATOM 486 N THR A 36 4.814 6.442 -1.822 1.00 0.00 N ATOM 487 CA THR A 36 4.366 7.703 -2.399 1.00 0.00 C ATOM 488 C THR A 36 3.323 7.471 -3.485 1.00 0.00 C ATOM 489 O THR A 36 3.563 6.737 -4.444 1.00 0.00 O ATOM 490 CB THR A 36 5.544 8.498 -2.996 1.00 0.00 C ATOM 491 OG1 THR A 36 6.585 8.637 -2.022 1.00 0.00 O ATOM 492 CG2 THR A 36 5.089 9.873 -3.459 1.00 0.00 C ATOM 0 H THR A 36 5.548 5.973 -2.352 1.00 0.00 H new ATOM 0 HA THR A 36 3.921 8.280 -1.589 1.00 0.00 H new ATOM 0 HB THR A 36 5.924 7.949 -3.858 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.330 9.142 -2.410 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.937 10.415 -3.876 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.318 9.763 -4.221 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.685 10.427 -2.612 1.00 0.00 H new ATOM 500 N VAL A 37 2.162 8.100 -3.330 1.00 0.00 N ATOM 501 CA VAL A 37 1.082 7.963 -4.299 1.00 0.00 C ATOM 502 C VAL A 37 1.168 9.040 -5.374 1.00 0.00 C ATOM 503 O VAL A 37 1.192 10.234 -5.073 1.00 0.00 O ATOM 504 CB VAL A 37 -0.297 8.043 -3.617 1.00 0.00 C ATOM 505 CG1 VAL A 37 -1.410 7.916 -4.646 1.00 0.00 C ATOM 506 CG2 VAL A 37 -0.425 6.969 -2.547 1.00 0.00 C ATOM 0 H VAL A 37 1.946 8.710 -2.542 1.00 0.00 H new ATOM 0 HA VAL A 37 1.194 6.982 -4.762 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.389 9.017 -3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.377 7.975 -4.146 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.328 8.724 -5.373 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.324 6.958 -5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.405 7.040 -2.075 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.312 5.986 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.351 7.111 -1.795 1.00 0.00 H new ATOM 516 N THR A 38 1.213 8.612 -6.632 1.00 0.00 N ATOM 517 CA THR A 38 1.297 9.539 -7.753 1.00 0.00 C ATOM 518 C THR A 38 0.015 9.523 -8.577 1.00 0.00 C ATOM 519 O THR A 38 -0.410 10.552 -9.100 1.00 0.00 O ATOM 520 CB THR A 38 2.488 9.204 -8.671 1.00 0.00 C ATOM 521 OG1 THR A 38 2.447 7.822 -9.042 1.00 0.00 O ATOM 522 CG2 THR A 38 3.807 9.509 -7.978 1.00 0.00 C ATOM 0 H THR A 38 1.193 7.628 -6.900 1.00 0.00 H new ATOM 0 HA THR A 38 1.442 10.533 -7.331 1.00 0.00 H new ATOM 0 HB THR A 38 2.414 9.822 -9.566 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.355 7.454 -9.035 1.00 0.00 H new ATOM 0 HG21 THR A 38 4.634 9.265 -8.645 1.00 0.00 H new ATOM 0 HG22 THR A 38 3.848 10.568 -7.723 1.00 0.00 H new ATOM 0 HG23 THR A 38 3.886 8.913 -7.069 1.00 0.00 H new ATOM 530 N ASN A 39 -0.598 8.348 -8.686 1.00 0.00 N ATOM 531 CA ASN A 39 -1.833 8.199 -9.447 1.00 0.00 C ATOM 532 C ASN A 39 -2.886 7.453 -8.634 1.00 0.00 C ATOM 533 O ASN A 39 -3.083 6.247 -8.783 1.00 0.00 O ATOM 534 CB ASN A 39 -1.563 7.455 -10.757 1.00 0.00 C ATOM 535 CG ASN A 39 -2.675 7.648 -11.771 1.00 0.00 C ATOM 536 OD1 ASN A 39 -3.470 8.582 -11.667 1.00 0.00 O ATOM 537 ND2 ASN A 39 -2.735 6.761 -12.758 1.00 0.00 N ATOM 0 H ASN A 39 -0.260 7.486 -8.257 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.213 9.195 -9.674 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -0.622 7.804 -11.183 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -1.444 6.391 -10.550 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.462 6.838 -13.470 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.054 6.003 -12.804 1.00 0.00 H new ATOM 544 N PRO A 40 -3.581 8.187 -7.751 1.00 0.00 N ATOM 545 CA PRO A 40 -4.627 7.616 -6.897 1.00 0.00 C ATOM 546 C PRO A 40 -5.867 7.215 -7.688 1.00 0.00 C ATOM 547 O PRO A 40 -6.717 6.475 -7.195 1.00 0.00 O ATOM 548 CB PRO A 40 -4.955 8.756 -5.929 1.00 0.00 C ATOM 549 CG PRO A 40 -4.580 9.996 -6.663 1.00 0.00 C ATOM 550 CD PRO A 40 -3.399 9.629 -7.520 1.00 0.00 C ATOM 0 HA PRO A 40 -4.297 6.701 -6.404 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -6.012 8.758 -5.663 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.393 8.661 -5.000 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.409 10.354 -7.274 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.325 10.798 -5.970 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -3.392 10.188 -8.456 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -2.456 9.839 -7.016 1.00 0.00 H new ATOM 558 N ASN A 41 -5.963 7.708 -8.919 1.00 0.00 N ATOM 559 CA ASN A 41 -7.100 7.401 -9.779 1.00 0.00 C ATOM 560 C ASN A 41 -6.632 6.918 -11.148 1.00 0.00 C ATOM 561 O ASN A 41 -6.731 7.640 -12.140 1.00 0.00 O ATOM 562 CB ASN A 41 -7.994 8.633 -9.938 1.00 0.00 C ATOM 563 CG ASN A 41 -9.120 8.406 -10.927 1.00 0.00 C ATOM 564 OD1 ASN A 41 -9.041 8.826 -12.082 1.00 0.00 O ATOM 565 ND2 ASN A 41 -10.177 7.739 -10.478 1.00 0.00 N ATOM 0 H ASN A 41 -5.267 8.322 -9.343 1.00 0.00 H new ATOM 0 HA ASN A 41 -7.674 6.603 -9.309 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.414 8.901 -8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.389 9.477 -10.268 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.966 7.556 -11.098 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.200 7.409 -9.513 1.00 0.00 H new ATOM 572 N VAL A 42 -6.122 5.691 -11.194 1.00 0.00 N ATOM 573 CA VAL A 42 -5.640 5.110 -12.441 1.00 0.00 C ATOM 574 C VAL A 42 -6.763 4.999 -13.466 1.00 0.00 C ATOM 575 O VAL A 42 -6.753 5.681 -14.490 1.00 0.00 O ATOM 576 CB VAL A 42 -5.031 3.714 -12.212 1.00 0.00 C ATOM 577 CG1 VAL A 42 -4.495 3.144 -13.516 1.00 0.00 C ATOM 578 CG2 VAL A 42 -3.934 3.779 -11.159 1.00 0.00 C ATOM 0 H VAL A 42 -6.032 5.080 -10.382 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.867 5.778 -12.822 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.815 3.050 -11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -4.069 2.157 -13.334 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.307 3.061 -14.238 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.724 3.805 -13.912 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.514 2.784 -11.009 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.149 4.458 -11.493 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.352 4.142 -10.220 1.00 0.00 H new ATOM 588 N GLY A 43 -7.733 4.135 -13.183 1.00 0.00 N ATOM 589 CA GLY A 43 -8.851 3.951 -14.090 1.00 0.00 C ATOM 590 C GLY A 43 -9.512 2.596 -13.928 1.00 0.00 C ATOM 591 O GLY A 43 -9.857 1.945 -14.913 1.00 0.00 O ATOM 0 H GLY A 43 -7.765 3.559 -12.342 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.588 4.735 -13.916 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.504 4.062 -15.117 1.00 0.00 H new ATOM 595 N GLY A 44 -9.687 2.170 -12.681 1.00 0.00 N ATOM 596 CA GLY A 44 -10.308 0.885 -12.417 1.00 0.00 C ATOM 597 C GLY A 44 -10.197 0.476 -10.961 1.00 0.00 C ATOM 598 O GLY A 44 -10.132 -0.711 -10.646 1.00 0.00 O ATOM 0 H GLY A 44 -9.410 2.691 -11.849 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -11.360 0.928 -12.700 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.841 0.124 -13.042 1.00 0.00 H new ATOM 602 N GLY A 45 -10.174 1.463 -10.071 1.00 0.00 N ATOM 603 CA GLY A 45 -10.068 1.179 -8.651 1.00 0.00 C ATOM 604 C GLY A 45 -8.648 0.859 -8.229 1.00 0.00 C ATOM 605 O GLY A 45 -8.428 0.241 -7.187 1.00 0.00 O ATOM 0 H GLY A 45 -10.227 2.454 -10.307 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.428 2.038 -8.084 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -10.716 0.339 -8.402 1.00 0.00 H new ATOM 609 N TRP A 46 -7.683 1.278 -9.039 1.00 0.00 N ATOM 610 CA TRP A 46 -6.276 1.031 -8.743 1.00 0.00 C ATOM 611 C TRP A 46 -5.527 2.340 -8.526 1.00 0.00 C ATOM 612 O TRP A 46 -6.049 3.420 -8.807 1.00 0.00 O ATOM 613 CB TRP A 46 -5.627 0.239 -9.880 1.00 0.00 C ATOM 614 CG TRP A 46 -5.935 -1.227 -9.834 1.00 0.00 C ATOM 615 CD1 TRP A 46 -7.167 -1.809 -9.925 1.00 0.00 C ATOM 616 CD2 TRP A 46 -4.994 -2.296 -9.685 1.00 0.00 C ATOM 617 NE1 TRP A 46 -7.049 -3.175 -9.841 1.00 0.00 N ATOM 618 CE2 TRP A 46 -5.726 -3.499 -9.694 1.00 0.00 C ATOM 619 CE3 TRP A 46 -3.605 -2.354 -9.546 1.00 0.00 C ATOM 620 CZ2 TRP A 46 -5.114 -4.744 -9.569 1.00 0.00 C ATOM 621 CZ3 TRP A 46 -2.999 -3.590 -9.422 1.00 0.00 C ATOM 622 CH2 TRP A 46 -3.753 -4.771 -9.434 1.00 0.00 C ATOM 0 H TRP A 46 -7.848 1.790 -9.905 1.00 0.00 H new ATOM 0 HA TRP A 46 -6.220 0.447 -7.824 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -5.964 0.644 -10.834 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -4.547 0.377 -9.839 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -8.097 -1.274 -10.045 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -7.821 -3.840 -9.882 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -3.015 -1.449 -9.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -5.693 -5.655 -9.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -1.926 -3.647 -9.314 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -3.250 -5.721 -9.335 1.00 0.00 H new ATOM 633 N LEU A 47 -4.300 2.239 -8.026 1.00 0.00 N ATOM 634 CA LEU A 47 -3.478 3.417 -7.772 1.00 0.00 C ATOM 635 C LEU A 47 -2.014 3.140 -8.098 1.00 0.00 C ATOM 636 O LEU A 47 -1.521 2.032 -7.890 1.00 0.00 O ATOM 637 CB LEU A 47 -3.614 3.853 -6.312 1.00 0.00 C ATOM 638 CG LEU A 47 -2.888 2.987 -5.283 1.00 0.00 C ATOM 639 CD1 LEU A 47 -1.446 3.443 -5.123 1.00 0.00 C ATOM 640 CD2 LEU A 47 -3.613 3.026 -3.945 1.00 0.00 C ATOM 0 H LEU A 47 -3.853 1.354 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.829 4.221 -8.419 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.245 4.875 -6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -4.674 3.874 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.884 1.958 -5.642 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.945 2.815 -4.386 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.930 3.362 -6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.427 4.480 -4.788 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -3.082 2.404 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.649 4.053 -3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.628 2.650 -4.070 1.00 0.00 H new ATOM 652 N GLU A 48 -1.324 4.156 -8.608 1.00 0.00 N ATOM 653 CA GLU A 48 0.085 4.021 -8.960 1.00 0.00 C ATOM 654 C GLU A 48 0.977 4.615 -7.874 1.00 0.00 C ATOM 655 O GLU A 48 0.674 5.667 -7.313 1.00 0.00 O ATOM 656 CB GLU A 48 0.366 4.707 -10.299 1.00 0.00 C ATOM 657 CG GLU A 48 1.599 4.173 -11.009 1.00 0.00 C ATOM 658 CD GLU A 48 1.597 4.483 -12.493 1.00 0.00 C ATOM 659 OE1 GLU A 48 1.372 5.657 -12.854 1.00 0.00 O ATOM 660 OE2 GLU A 48 1.821 3.551 -13.294 1.00 0.00 O ATOM 0 H GLU A 48 -1.717 5.080 -8.786 1.00 0.00 H new ATOM 0 HA GLU A 48 0.311 2.958 -9.049 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -0.500 4.584 -10.950 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.489 5.777 -10.131 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.491 4.603 -10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.657 3.094 -10.867 1.00 0.00 H new ATOM 667 N GLY A 49 2.080 3.931 -7.583 1.00 0.00 N ATOM 668 CA GLY A 49 2.999 4.406 -6.565 1.00 0.00 C ATOM 669 C GLY A 49 4.447 4.130 -6.918 1.00 0.00 C ATOM 670 O GLY A 49 4.738 3.280 -7.760 1.00 0.00 O ATOM 0 H GLY A 49 2.353 3.058 -8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.860 5.478 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.762 3.928 -5.614 1.00 0.00 H new ATOM 674 N LYS A 50 5.359 4.852 -6.275 1.00 0.00 N ATOM 675 CA LYS A 50 6.785 4.682 -6.525 1.00 0.00 C ATOM 676 C LYS A 50 7.548 4.492 -5.218 1.00 0.00 C ATOM 677 O LYS A 50 7.236 5.123 -4.209 1.00 0.00 O ATOM 678 CB LYS A 50 7.339 5.893 -7.279 1.00 0.00 C ATOM 679 CG LYS A 50 8.844 5.848 -7.481 1.00 0.00 C ATOM 680 CD LYS A 50 9.304 6.895 -8.481 1.00 0.00 C ATOM 681 CE LYS A 50 9.632 8.213 -7.796 1.00 0.00 C ATOM 682 NZ LYS A 50 10.128 9.232 -8.762 1.00 0.00 N ATOM 0 H LYS A 50 5.135 5.561 -5.576 1.00 0.00 H new ATOM 0 HA LYS A 50 6.917 3.789 -7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.852 5.958 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.081 6.800 -6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.345 6.010 -6.527 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.136 4.857 -7.830 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.183 6.531 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.525 7.055 -9.226 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.742 8.592 -7.293 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.386 8.045 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 10.340 10.116 -8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.991 8.881 -9.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.399 9.412 -9.482 1.00 0.00 H new ATOM 696 N ASN A 51 8.549 3.618 -5.244 1.00 0.00 N ATOM 697 CA ASN A 51 9.357 3.346 -4.061 1.00 0.00 C ATOM 698 C ASN A 51 10.644 4.165 -4.080 1.00 0.00 C ATOM 699 O ASN A 51 10.955 4.828 -5.068 1.00 0.00 O ATOM 700 CB ASN A 51 9.690 1.855 -3.977 1.00 0.00 C ATOM 701 CG ASN A 51 10.377 1.345 -5.229 1.00 0.00 C ATOM 702 OD1 ASN A 51 10.969 2.117 -5.984 1.00 0.00 O ATOM 703 ND2 ASN A 51 10.301 0.038 -5.456 1.00 0.00 N ATOM 0 H ASN A 51 8.820 3.086 -6.071 1.00 0.00 H new ATOM 0 HA ASN A 51 8.778 3.633 -3.183 1.00 0.00 H new ATOM 0 HB2 ASN A 51 10.333 1.677 -3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 51 8.773 1.289 -3.813 1.00 0.00 H new ATOM 0 HD21 ASN A 51 10.744 -0.363 -6.283 1.00 0.00 H new ATOM 0 HD22 ASN A 51 9.800 -0.565 -4.803 1.00 0.00 H new ATOM 710 N ASN A 52 11.388 4.114 -2.980 1.00 0.00 N ATOM 711 CA ASN A 52 12.641 4.851 -2.870 1.00 0.00 C ATOM 712 C ASN A 52 13.611 4.443 -3.975 1.00 0.00 C ATOM 713 O ASN A 52 14.451 5.236 -4.403 1.00 0.00 O ATOM 714 CB ASN A 52 13.280 4.610 -1.501 1.00 0.00 C ATOM 715 CG ASN A 52 14.201 5.741 -1.085 1.00 0.00 C ATOM 716 OD1 ASN A 52 14.520 6.622 -1.884 1.00 0.00 O ATOM 717 ND2 ASN A 52 14.633 5.722 0.170 1.00 0.00 N ATOM 0 H ASN A 52 11.145 3.570 -2.152 1.00 0.00 H new ATOM 0 HA ASN A 52 12.420 5.913 -2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 52 12.496 4.490 -0.753 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.843 3.677 -1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 52 15.255 6.457 0.506 1.00 0.00 H new ATOM 0 HD22 ASN A 52 14.343 4.972 0.798 1.00 0.00 H new ATOM 724 N LYS A 53 13.489 3.202 -4.433 1.00 0.00 N ATOM 725 CA LYS A 53 14.352 2.688 -5.490 1.00 0.00 C ATOM 726 C LYS A 53 14.123 3.443 -6.795 1.00 0.00 C ATOM 727 O LYS A 53 15.060 3.688 -7.555 1.00 0.00 O ATOM 728 CB LYS A 53 14.099 1.194 -5.701 1.00 0.00 C ATOM 729 CG LYS A 53 14.648 0.320 -4.587 1.00 0.00 C ATOM 730 CD LYS A 53 13.950 -1.029 -4.540 1.00 0.00 C ATOM 731 CE LYS A 53 14.179 -1.729 -3.209 1.00 0.00 C ATOM 732 NZ LYS A 53 13.264 -1.221 -2.150 1.00 0.00 N ATOM 0 H LYS A 53 12.800 2.533 -4.089 1.00 0.00 H new ATOM 0 HA LYS A 53 15.388 2.835 -5.183 1.00 0.00 H new ATOM 0 HB2 LYS A 53 13.026 1.025 -5.788 1.00 0.00 H new ATOM 0 HB3 LYS A 53 14.548 0.888 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 53 15.718 0.172 -4.733 1.00 0.00 H new ATOM 0 HG3 LYS A 53 14.524 0.828 -3.631 1.00 0.00 H new ATOM 0 HD2 LYS A 53 12.881 -0.892 -4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 53 14.317 -1.658 -5.351 1.00 0.00 H new ATOM 0 HE2 LYS A 53 14.031 -2.802 -3.333 1.00 0.00 H new ATOM 0 HE3 LYS A 53 15.213 -1.584 -2.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 13.452 -1.723 -1.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.423 -0.202 -2.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.277 -1.382 -2.437 1.00 0.00 H new ATOM 746 N GLY A 54 12.871 3.811 -7.049 1.00 0.00 N ATOM 747 CA GLY A 54 12.542 4.536 -8.263 1.00 0.00 C ATOM 748 C GLY A 54 11.666 3.729 -9.201 1.00 0.00 C ATOM 749 O GLY A 54 11.526 4.069 -10.375 1.00 0.00 O ATOM 0 H GLY A 54 12.078 3.620 -6.436 1.00 0.00 H new ATOM 0 HA2 GLY A 54 12.032 5.463 -8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 54 13.462 4.813 -8.778 1.00 0.00 H new ATOM 753 N GLU A 55 11.077 2.656 -8.681 1.00 0.00 N ATOM 754 CA GLU A 55 10.212 1.798 -9.482 1.00 0.00 C ATOM 755 C GLU A 55 8.744 2.160 -9.277 1.00 0.00 C ATOM 756 O GLU A 55 8.276 2.275 -8.144 1.00 0.00 O ATOM 757 CB GLU A 55 10.441 0.328 -9.123 1.00 0.00 C ATOM 758 CG GLU A 55 11.895 -0.103 -9.220 1.00 0.00 C ATOM 759 CD GLU A 55 12.047 -1.596 -9.437 1.00 0.00 C ATOM 760 OE1 GLU A 55 11.660 -2.370 -8.537 1.00 0.00 O ATOM 761 OE2 GLU A 55 12.554 -1.990 -10.508 1.00 0.00 O ATOM 0 H GLU A 55 11.183 2.361 -7.710 1.00 0.00 H new ATOM 0 HA GLU A 55 10.463 1.952 -10.532 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.085 0.151 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.841 -0.297 -9.785 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.374 0.430 -10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 55 12.417 0.183 -8.307 1.00 0.00 H new ATOM 768 N GLN A 56 8.025 2.340 -10.380 1.00 0.00 N ATOM 769 CA GLN A 56 6.611 2.691 -10.320 1.00 0.00 C ATOM 770 C GLN A 56 5.752 1.596 -10.943 1.00 0.00 C ATOM 771 O GLN A 56 6.122 1.001 -11.954 1.00 0.00 O ATOM 772 CB GLN A 56 6.363 4.019 -11.037 1.00 0.00 C ATOM 773 CG GLN A 56 4.956 4.562 -10.844 1.00 0.00 C ATOM 774 CD GLN A 56 4.484 5.392 -12.021 1.00 0.00 C ATOM 775 OE1 GLN A 56 4.380 4.896 -13.144 1.00 0.00 O ATOM 776 NE2 GLN A 56 4.195 6.664 -11.771 1.00 0.00 N ATOM 0 H GLN A 56 8.398 2.249 -11.325 1.00 0.00 H new ATOM 0 HA GLN A 56 6.332 2.794 -9.271 1.00 0.00 H new ATOM 0 HB2 GLN A 56 7.080 4.756 -10.677 1.00 0.00 H new ATOM 0 HB3 GLN A 56 6.549 3.887 -12.103 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.268 3.731 -10.691 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.926 5.170 -9.940 1.00 0.00 H new ATOM 0 HE21 GLN A 56 4.295 7.034 -10.826 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.873 7.271 -12.524 1.00 0.00 H new ATOM 785 N GLY A 57 4.601 1.333 -10.331 1.00 0.00 N ATOM 786 CA GLY A 57 3.707 0.309 -10.839 1.00 0.00 C ATOM 787 C GLY A 57 2.284 0.487 -10.349 1.00 0.00 C ATOM 788 O GLY A 57 2.004 1.369 -9.536 1.00 0.00 O ATOM 0 H GLY A 57 4.272 1.811 -9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 57 3.718 0.329 -11.929 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.073 -0.672 -10.535 1.00 0.00 H new ATOM 792 N LEU A 58 1.380 -0.351 -10.845 1.00 0.00 N ATOM 793 CA LEU A 58 -0.024 -0.282 -10.454 1.00 0.00 C ATOM 794 C LEU A 58 -0.288 -1.137 -9.219 1.00 0.00 C ATOM 795 O LEU A 58 0.191 -2.267 -9.119 1.00 0.00 O ATOM 796 CB LEU A 58 -0.918 -0.741 -11.607 1.00 0.00 C ATOM 797 CG LEU A 58 -0.842 0.091 -12.888 1.00 0.00 C ATOM 798 CD1 LEU A 58 -1.722 -0.514 -13.971 1.00 0.00 C ATOM 799 CD2 LEU A 58 -1.246 1.532 -12.613 1.00 0.00 C ATOM 0 H LEU A 58 1.594 -1.086 -11.519 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.258 0.755 -10.212 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.661 -1.772 -11.851 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.951 -0.744 -11.260 1.00 0.00 H new ATOM 0 HG LEU A 58 0.189 0.085 -13.241 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.655 0.092 -14.875 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.387 -1.528 -14.188 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.756 -0.540 -13.627 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.186 2.109 -13.536 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.268 1.558 -12.235 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.574 1.963 -11.871 1.00 0.00 H new ATOM 811 N VAL A 59 -1.056 -0.592 -8.281 1.00 0.00 N ATOM 812 CA VAL A 59 -1.387 -1.306 -7.054 1.00 0.00 C ATOM 813 C VAL A 59 -2.864 -1.151 -6.709 1.00 0.00 C ATOM 814 O VAL A 59 -3.448 -0.074 -6.840 1.00 0.00 O ATOM 815 CB VAL A 59 -0.540 -0.807 -5.868 1.00 0.00 C ATOM 816 CG1 VAL A 59 -0.960 -1.501 -4.582 1.00 0.00 C ATOM 817 CG2 VAL A 59 0.940 -1.025 -6.143 1.00 0.00 C ATOM 0 H VAL A 59 -1.461 0.342 -8.348 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.166 -2.359 -7.232 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.710 0.263 -5.747 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -0.351 -1.136 -3.756 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.010 -1.289 -4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.821 -2.577 -4.687 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.524 -0.667 -5.295 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.130 -2.088 -6.291 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.228 -0.476 -7.040 1.00 0.00 H new ATOM 827 N PRO A 60 -3.485 -2.250 -6.258 1.00 0.00 N ATOM 828 CA PRO A 60 -4.903 -2.262 -5.884 1.00 0.00 C ATOM 829 C PRO A 60 -5.173 -1.468 -4.611 1.00 0.00 C ATOM 830 O PRO A 60 -4.668 -1.803 -3.539 1.00 0.00 O ATOM 831 CB PRO A 60 -5.198 -3.747 -5.661 1.00 0.00 C ATOM 832 CG PRO A 60 -3.881 -4.347 -5.308 1.00 0.00 C ATOM 833 CD PRO A 60 -2.851 -3.567 -6.078 1.00 0.00 C ATOM 0 HA PRO A 60 -5.530 -1.799 -6.646 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.925 -3.890 -4.862 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -5.615 -4.207 -6.557 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -3.698 -4.283 -4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -3.850 -5.404 -5.574 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -1.912 -3.490 -5.529 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -2.623 -4.037 -7.034 1.00 0.00 H new ATOM 841 N THR A 61 -5.973 -0.414 -4.735 1.00 0.00 N ATOM 842 CA THR A 61 -6.310 0.428 -3.594 1.00 0.00 C ATOM 843 C THR A 61 -6.953 -0.388 -2.479 1.00 0.00 C ATOM 844 O THR A 61 -7.060 0.072 -1.342 1.00 0.00 O ATOM 845 CB THR A 61 -7.266 1.566 -3.999 1.00 0.00 C ATOM 846 OG1 THR A 61 -8.562 1.035 -4.295 1.00 0.00 O ATOM 847 CG2 THR A 61 -6.731 2.318 -5.208 1.00 0.00 C ATOM 0 H THR A 61 -6.400 -0.123 -5.615 1.00 0.00 H new ATOM 0 HA THR A 61 -5.376 0.859 -3.233 1.00 0.00 H new ATOM 0 HB THR A 61 -7.342 2.262 -3.163 1.00 0.00 H new ATOM 0 HG1 THR A 61 -8.589 0.739 -5.229 1.00 0.00 H new ATOM 0 HG21 THR A 61 -7.423 3.117 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.758 2.746 -4.969 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.628 1.631 -6.048 1.00 0.00 H new ATOM 855 N ASP A 62 -7.380 -1.602 -2.811 1.00 0.00 N ATOM 856 CA ASP A 62 -8.011 -2.484 -1.836 1.00 0.00 C ATOM 857 C ASP A 62 -6.989 -3.001 -0.829 1.00 0.00 C ATOM 858 O ASP A 62 -7.318 -3.253 0.330 1.00 0.00 O ATOM 859 CB ASP A 62 -8.689 -3.658 -2.543 1.00 0.00 C ATOM 860 CG ASP A 62 -9.697 -3.206 -3.582 1.00 0.00 C ATOM 861 OD1 ASP A 62 -10.879 -3.026 -3.221 1.00 0.00 O ATOM 862 OD2 ASP A 62 -9.304 -3.033 -4.755 1.00 0.00 O ATOM 0 H ASP A 62 -7.301 -1.997 -3.748 1.00 0.00 H new ATOM 0 HA ASP A 62 -8.765 -1.910 -1.298 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -7.930 -4.277 -3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -9.190 -4.283 -1.804 1.00 0.00 H new ATOM 867 N TYR A 63 -5.749 -3.158 -1.280 1.00 0.00 N ATOM 868 CA TYR A 63 -4.680 -3.649 -0.419 1.00 0.00 C ATOM 869 C TYR A 63 -4.165 -2.541 0.495 1.00 0.00 C ATOM 870 O TYR A 63 -3.879 -2.773 1.670 1.00 0.00 O ATOM 871 CB TYR A 63 -3.531 -4.204 -1.263 1.00 0.00 C ATOM 872 CG TYR A 63 -3.713 -5.653 -1.654 1.00 0.00 C ATOM 873 CD1 TYR A 63 -4.789 -6.052 -2.438 1.00 0.00 C ATOM 874 CD2 TYR A 63 -2.810 -6.624 -1.238 1.00 0.00 C ATOM 875 CE1 TYR A 63 -4.959 -7.375 -2.798 1.00 0.00 C ATOM 876 CE2 TYR A 63 -2.972 -7.949 -1.594 1.00 0.00 C ATOM 877 CZ TYR A 63 -4.048 -8.320 -2.373 1.00 0.00 C ATOM 878 OH TYR A 63 -4.213 -9.639 -2.728 1.00 0.00 O ATOM 0 H TYR A 63 -5.460 -2.952 -2.236 1.00 0.00 H new ATOM 0 HA TYR A 63 -5.086 -4.448 0.201 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -3.431 -3.602 -2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -2.599 -4.101 -0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -5.505 -5.315 -2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -1.967 -6.338 -0.626 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -5.800 -7.668 -3.409 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -2.260 -8.691 -1.264 1.00 0.00 H new ATOM 0 HH TYR A 63 -3.485 -10.174 -2.348 1.00 0.00 H new ATOM 888 N VAL A 64 -4.049 -1.336 -0.053 1.00 0.00 N ATOM 889 CA VAL A 64 -3.570 -0.191 0.711 1.00 0.00 C ATOM 890 C VAL A 64 -4.667 0.854 0.881 1.00 0.00 C ATOM 891 O VAL A 64 -5.346 1.216 -0.079 1.00 0.00 O ATOM 892 CB VAL A 64 -2.351 0.465 0.036 1.00 0.00 C ATOM 893 CG1 VAL A 64 -1.394 -0.596 -0.486 1.00 0.00 C ATOM 894 CG2 VAL A 64 -2.798 1.390 -1.086 1.00 0.00 C ATOM 0 H VAL A 64 -4.280 -1.127 -1.024 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.274 -0.566 1.691 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.823 1.062 0.780 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.539 -0.113 -0.960 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.049 -1.214 0.343 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.908 -1.222 -1.216 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.924 1.845 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.350 0.817 -1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.441 2.171 -0.679 1.00 0.00 H new ATOM 904 N GLU A 65 -4.834 1.335 2.109 1.00 0.00 N ATOM 905 CA GLU A 65 -5.850 2.339 2.404 1.00 0.00 C ATOM 906 C GLU A 65 -5.227 3.729 2.507 1.00 0.00 C ATOM 907 O GLU A 65 -4.568 4.053 3.495 1.00 0.00 O ATOM 908 CB GLU A 65 -6.575 1.995 3.707 1.00 0.00 C ATOM 909 CG GLU A 65 -7.506 3.093 4.193 1.00 0.00 C ATOM 910 CD GLU A 65 -6.814 4.080 5.113 1.00 0.00 C ATOM 911 OE1 GLU A 65 -5.786 3.708 5.715 1.00 0.00 O ATOM 912 OE2 GLU A 65 -7.301 5.224 5.230 1.00 0.00 O ATOM 0 H GLU A 65 -4.280 1.046 2.915 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.570 2.342 1.586 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -7.150 1.080 3.563 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.836 1.788 4.481 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -7.912 3.626 3.334 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.349 2.643 4.717 1.00 0.00 H new ATOM 919 N ILE A 66 -5.441 4.544 1.480 1.00 0.00 N ATOM 920 CA ILE A 66 -4.902 5.898 1.454 1.00 0.00 C ATOM 921 C ILE A 66 -5.281 6.664 2.718 1.00 0.00 C ATOM 922 O ILE A 66 -6.450 6.710 3.102 1.00 0.00 O ATOM 923 CB ILE A 66 -5.401 6.680 0.225 1.00 0.00 C ATOM 924 CG1 ILE A 66 -5.019 5.946 -1.063 1.00 0.00 C ATOM 925 CG2 ILE A 66 -4.831 8.090 0.227 1.00 0.00 C ATOM 926 CD1 ILE A 66 -5.334 6.727 -2.319 1.00 0.00 C ATOM 0 H ILE A 66 -5.984 4.290 0.655 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.817 5.805 1.399 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.488 6.749 0.273 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.952 5.723 -1.042 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.544 4.991 -1.097 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.193 8.630 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.149 8.610 1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.742 8.042 0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -5.037 6.147 -3.192 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.404 6.928 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.788 7.670 -2.307 1.00 0.00 H new ATOM 938 N LEU A 67 -4.285 7.265 3.359 1.00 0.00 N ATOM 939 CA LEU A 67 -4.513 8.032 4.579 1.00 0.00 C ATOM 940 C LEU A 67 -4.927 9.463 4.253 1.00 0.00 C ATOM 941 O LEU A 67 -4.455 10.068 3.289 1.00 0.00 O ATOM 942 CB LEU A 67 -3.252 8.038 5.444 1.00 0.00 C ATOM 943 CG LEU A 67 -2.557 6.688 5.628 1.00 0.00 C ATOM 944 CD1 LEU A 67 -1.214 6.868 6.317 1.00 0.00 C ATOM 945 CD2 LEU A 67 -3.442 5.737 6.421 1.00 0.00 C ATOM 0 H LEU A 67 -3.312 7.236 3.055 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.323 7.556 5.132 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.538 8.735 5.005 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.513 8.427 6.428 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.381 6.254 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.735 5.897 6.439 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.578 7.513 5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -1.365 7.324 7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.932 4.781 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.649 6.165 7.402 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.380 5.582 5.887 1.00 0.00 H new ATOM 957 N PRO A 68 -5.828 10.021 5.075 1.00 0.00 N ATOM 958 CA PRO A 68 -6.322 11.389 4.896 1.00 0.00 C ATOM 959 C PRO A 68 -5.255 12.436 5.197 1.00 0.00 C ATOM 960 O PRO A 68 -4.274 12.155 5.884 1.00 0.00 O ATOM 961 CB PRO A 68 -7.467 11.487 5.908 1.00 0.00 C ATOM 962 CG PRO A 68 -7.134 10.482 6.955 1.00 0.00 C ATOM 963 CD PRO A 68 -6.432 9.359 6.244 1.00 0.00 C ATOM 0 HA PRO A 68 -6.625 11.581 3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.538 12.490 6.330 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.428 11.269 5.441 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -6.495 10.917 7.724 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.035 10.125 7.454 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -5.677 8.893 6.877 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.128 8.574 5.947 1.00 0.00 H new