USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 618 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 76 LYS NZ :NH3+ -177:sc= 0.0905 (180deg=0) USER MOD Set 1.2: A 77 HIS : no HD1:sc= -12.6! C(o=-13!,f=-13!) USER MOD Set 2.1: A 69 THR OG1 : rot 140:sc= -0.465 USER MOD Set 2.2: A 72 ASN : amide:sc= 0.887 K(o=0.42,f=-1.2) USER MOD Single : A 9 SER OG : rot 43:sc= 1.1 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 14:sc= 0.282 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 53:sc= 0.305 USER MOD Single : A 19 SER OG : rot 150:sc= -0.937 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 177:sc= -4.04! (180deg=-4.07!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -170:sc= -0.432 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc=-0.00673 USER MOD Single : A 54 SER OG : rot 106:sc= 0.661 USER MOD Single : A 58 THR OG1 : rot 150:sc= 0.443 USER MOD Single : A 59 ASN : amide:sc= -0.0674 X(o=-0.067,f=0.098) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 GLN : amide:sc= -2.26 X(o=-2.3,f=-2.4) USER MOD Single : A 79 SER OG : rot 180:sc= -0.0784 USER MOD ----------------------------------------------------------------- ATOM 92 N SER A 9 -12.063 -15.249 3.004 1.00 0.00 N ATOM 93 CA SER A 9 -11.072 -14.555 3.808 1.00 0.00 C ATOM 94 C SER A 9 -10.286 -13.573 2.938 1.00 0.00 C ATOM 95 O SER A 9 -9.300 -13.951 2.305 1.00 0.00 O ATOM 96 CB SER A 9 -10.121 -15.544 4.484 1.00 0.00 C ATOM 97 OG SER A 9 -9.341 -16.269 3.537 1.00 0.00 O ATOM 0 HA SER A 9 -11.593 -14.001 4.589 1.00 0.00 H new ATOM 0 HB2 SER A 9 -9.459 -15.005 5.161 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.697 -16.243 5.090 1.00 0.00 H new ATOM 0 HG SER A 9 -9.016 -15.657 2.844 1.00 0.00 H new ATOM 103 N LYS A 10 -10.750 -12.333 2.933 1.00 0.00 N ATOM 104 CA LYS A 10 -10.103 -11.294 2.150 1.00 0.00 C ATOM 105 C LYS A 10 -9.787 -10.101 3.055 1.00 0.00 C ATOM 106 O LYS A 10 -10.286 -10.019 4.177 1.00 0.00 O ATOM 107 CB LYS A 10 -10.953 -10.932 0.931 1.00 0.00 C ATOM 108 CG LYS A 10 -10.733 -11.931 -0.207 1.00 0.00 C ATOM 109 CD LYS A 10 -10.619 -11.213 -1.553 1.00 0.00 C ATOM 110 CE LYS A 10 -11.503 -11.881 -2.607 1.00 0.00 C ATOM 111 NZ LYS A 10 -12.533 -10.936 -3.096 1.00 0.00 N ATOM 0 H LYS A 10 -11.567 -12.024 3.459 1.00 0.00 H new ATOM 0 HA LYS A 10 -9.154 -11.654 1.752 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -12.007 -10.918 1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -10.700 -9.927 0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.826 -12.507 -0.020 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.560 -12.640 -0.238 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.910 -10.169 -1.438 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.581 -11.220 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.890 -12.223 -3.441 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -11.983 -12.763 -2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -13.124 -11.406 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -13.129 -10.630 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.070 -10.107 -3.520 1.00 0.00 H new ATOM 125 N VAL A 11 -8.960 -9.206 2.535 1.00 0.00 N ATOM 126 CA VAL A 11 -8.572 -8.022 3.282 1.00 0.00 C ATOM 127 C VAL A 11 -8.722 -6.789 2.388 1.00 0.00 C ATOM 128 O VAL A 11 -8.580 -6.880 1.170 1.00 0.00 O ATOM 129 CB VAL A 11 -7.155 -8.192 3.834 1.00 0.00 C ATOM 130 CG1 VAL A 11 -7.035 -9.484 4.646 1.00 0.00 C ATOM 131 CG2 VAL A 11 -6.120 -8.154 2.708 1.00 0.00 C ATOM 0 H VAL A 11 -8.548 -9.277 1.605 1.00 0.00 H new ATOM 0 HA VAL A 11 -9.226 -7.882 4.142 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.953 -7.355 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -6.018 -9.581 5.027 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -7.735 -9.455 5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.267 -10.337 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.121 -8.277 3.127 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -6.319 -8.961 2.003 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.181 -7.197 2.190 1.00 0.00 H new ATOM 141 N SER A 12 -9.006 -5.664 3.029 1.00 0.00 N ATOM 142 CA SER A 12 -9.176 -4.415 2.307 1.00 0.00 C ATOM 143 C SER A 12 -8.092 -3.418 2.724 1.00 0.00 C ATOM 144 O SER A 12 -7.915 -3.148 3.911 1.00 0.00 O ATOM 145 CB SER A 12 -10.565 -3.822 2.553 1.00 0.00 C ATOM 146 OG SER A 12 -10.710 -3.336 3.885 1.00 0.00 O ATOM 0 H SER A 12 -9.122 -5.592 4.040 1.00 0.00 H new ATOM 0 HA SER A 12 -9.081 -4.620 1.241 1.00 0.00 H new ATOM 0 HB2 SER A 12 -10.742 -3.009 1.849 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.323 -4.581 2.360 1.00 0.00 H new ATOM 0 HG SER A 12 -9.829 -3.278 4.310 1.00 0.00 H new ATOM 152 N PHE A 13 -7.394 -2.900 1.724 1.00 0.00 N ATOM 153 CA PHE A 13 -6.332 -1.939 1.972 1.00 0.00 C ATOM 154 C PHE A 13 -6.800 -0.515 1.669 1.00 0.00 C ATOM 155 O PHE A 13 -7.213 -0.217 0.549 1.00 0.00 O ATOM 156 CB PHE A 13 -5.179 -2.295 1.031 1.00 0.00 C ATOM 157 CG PHE A 13 -4.872 -3.792 0.962 1.00 0.00 C ATOM 158 CD1 PHE A 13 -4.090 -4.371 1.913 1.00 0.00 C ATOM 159 CD2 PHE A 13 -5.380 -4.545 -0.050 1.00 0.00 C ATOM 160 CE1 PHE A 13 -3.805 -5.760 1.848 1.00 0.00 C ATOM 161 CE2 PHE A 13 -5.095 -5.934 -0.115 1.00 0.00 C ATOM 162 CZ PHE A 13 -4.314 -6.513 0.836 1.00 0.00 C ATOM 0 H PHE A 13 -7.543 -3.127 0.741 1.00 0.00 H new ATOM 0 HA PHE A 13 -6.031 -1.979 3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.417 -1.937 0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.283 -1.765 1.354 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.686 -3.774 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.001 -4.086 -0.805 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.184 -6.219 2.603 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.498 -6.531 -0.920 1.00 0.00 H new ATOM 0 HZ PHE A 13 -4.098 -7.570 0.788 1.00 0.00 H new ATOM 172 N LYS A 14 -6.721 0.329 2.688 1.00 0.00 N ATOM 173 CA LYS A 14 -7.131 1.716 2.545 1.00 0.00 C ATOM 174 C LYS A 14 -5.892 2.593 2.358 1.00 0.00 C ATOM 175 O LYS A 14 -5.261 2.998 3.334 1.00 0.00 O ATOM 176 CB LYS A 14 -8.012 2.138 3.723 1.00 0.00 C ATOM 177 CG LYS A 14 -9.431 2.467 3.256 1.00 0.00 C ATOM 178 CD LYS A 14 -10.395 2.540 4.441 1.00 0.00 C ATOM 179 CE LYS A 14 -11.846 2.393 3.978 1.00 0.00 C ATOM 180 NZ LYS A 14 -12.474 1.211 4.609 1.00 0.00 N ATOM 0 H LYS A 14 -6.379 0.079 3.616 1.00 0.00 H new ATOM 0 HA LYS A 14 -7.747 1.842 1.655 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -8.045 1.338 4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.576 3.008 4.214 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -9.431 3.418 2.723 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -9.771 1.708 2.552 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -10.157 1.754 5.157 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.269 3.491 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.408 3.291 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -11.880 2.294 2.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.458 1.126 4.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -11.947 0.355 4.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.459 1.321 5.643 1.00 0.00 H new ATOM 194 N ILE A 15 -5.580 2.861 1.099 1.00 0.00 N ATOM 195 CA ILE A 15 -4.427 3.683 0.772 1.00 0.00 C ATOM 196 C ILE A 15 -4.886 4.899 -0.035 1.00 0.00 C ATOM 197 O ILE A 15 -5.817 4.804 -0.832 1.00 0.00 O ATOM 198 CB ILE A 15 -3.355 2.847 0.069 1.00 0.00 C ATOM 199 CG1 ILE A 15 -3.074 1.555 0.839 1.00 0.00 C ATOM 200 CG2 ILE A 15 -2.083 3.667 -0.158 1.00 0.00 C ATOM 201 CD1 ILE A 15 -2.934 0.368 -0.115 1.00 0.00 C ATOM 0 H ILE A 15 -6.106 2.524 0.293 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.958 4.061 1.681 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.734 2.561 -0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.160 1.667 1.423 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.882 1.365 1.545 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.337 3.050 -0.659 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.314 4.533 -0.779 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.691 4.003 0.802 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -2.735 -0.538 0.458 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.858 0.244 -0.680 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.109 0.550 -0.804 1.00 0.00 H new ATOM 213 N THR A 16 -4.210 6.014 0.200 1.00 0.00 N ATOM 214 CA THR A 16 -4.537 7.248 -0.495 1.00 0.00 C ATOM 215 C THR A 16 -3.305 7.793 -1.221 1.00 0.00 C ATOM 216 O THR A 16 -2.227 7.886 -0.637 1.00 0.00 O ATOM 217 CB THR A 16 -5.122 8.225 0.526 1.00 0.00 C ATOM 218 OG1 THR A 16 -6.115 7.462 1.207 1.00 0.00 O ATOM 219 CG2 THR A 16 -5.911 9.359 -0.133 1.00 0.00 C ATOM 0 H THR A 16 -3.437 6.089 0.862 1.00 0.00 H new ATOM 0 HA THR A 16 -5.285 7.079 -1.270 1.00 0.00 H new ATOM 0 HB THR A 16 -4.317 8.646 1.128 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.545 8.019 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 16 -6.304 10.023 0.636 1.00 0.00 H new ATOM 0 HG22 THR A 16 -5.254 9.921 -0.797 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.737 8.941 -0.708 1.00 0.00 H new ATOM 227 N LEU A 17 -3.508 8.140 -2.484 1.00 0.00 N ATOM 228 CA LEU A 17 -2.427 8.673 -3.295 1.00 0.00 C ATOM 229 C LEU A 17 -1.976 10.016 -2.717 1.00 0.00 C ATOM 230 O LEU A 17 -2.794 10.906 -2.492 1.00 0.00 O ATOM 231 CB LEU A 17 -2.847 8.747 -4.765 1.00 0.00 C ATOM 232 CG LEU A 17 -2.079 9.745 -5.633 1.00 0.00 C ATOM 233 CD1 LEU A 17 -0.711 9.188 -6.030 1.00 0.00 C ATOM 234 CD2 LEU A 17 -2.905 10.161 -6.852 1.00 0.00 C ATOM 0 H LEU A 17 -4.404 8.062 -2.965 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.565 8.007 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.738 7.755 -5.204 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.907 8.999 -4.807 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.901 10.644 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.186 9.918 -6.647 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.127 8.984 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.844 8.265 -6.594 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.336 10.871 -7.452 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.136 9.281 -7.453 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -3.833 10.628 -6.521 1.00 0.00 H new ATOM 246 N THR A 18 -0.674 10.120 -2.493 1.00 0.00 N ATOM 247 CA THR A 18 -0.104 11.339 -1.945 1.00 0.00 C ATOM 248 C THR A 18 0.744 12.052 -3.000 1.00 0.00 C ATOM 249 O THR A 18 1.930 11.762 -3.148 1.00 0.00 O ATOM 250 CB THR A 18 0.680 10.969 -0.684 1.00 0.00 C ATOM 251 OG1 THR A 18 1.464 9.847 -1.079 1.00 0.00 O ATOM 252 CG2 THR A 18 -0.221 10.423 0.426 1.00 0.00 C ATOM 0 H THR A 18 0.002 9.380 -2.681 1.00 0.00 H new ATOM 0 HA THR A 18 -0.882 12.049 -1.665 1.00 0.00 H new ATOM 0 HB THR A 18 1.215 11.846 -0.319 1.00 0.00 H new ATOM 0 HG1 THR A 18 1.972 10.071 -1.887 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.385 10.176 1.298 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.959 11.177 0.699 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.731 9.527 0.073 1.00 0.00 H new ATOM 260 N SER A 19 0.102 12.971 -3.706 1.00 0.00 N ATOM 261 CA SER A 19 0.783 13.728 -4.743 1.00 0.00 C ATOM 262 C SER A 19 -0.113 14.867 -5.233 1.00 0.00 C ATOM 263 O SER A 19 0.217 16.040 -5.060 1.00 0.00 O ATOM 264 CB SER A 19 1.181 12.826 -5.913 1.00 0.00 C ATOM 265 OG SER A 19 0.060 12.139 -6.463 1.00 0.00 O ATOM 0 H SER A 19 -0.882 13.209 -3.581 1.00 0.00 H new ATOM 0 HA SER A 19 1.694 14.148 -4.317 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.654 13.427 -6.689 1.00 0.00 H new ATOM 0 HB3 SER A 19 1.921 12.100 -5.576 1.00 0.00 H new ATOM 0 HG SER A 19 0.210 11.980 -7.418 1.00 0.00 H new ATOM 271 N ASP A 20 -1.230 14.483 -5.835 1.00 0.00 N ATOM 272 CA ASP A 20 -2.176 15.457 -6.351 1.00 0.00 C ATOM 273 C ASP A 20 -3.034 15.986 -5.200 1.00 0.00 C ATOM 274 O ASP A 20 -3.232 15.298 -4.200 1.00 0.00 O ATOM 275 CB ASP A 20 -3.109 14.825 -7.385 1.00 0.00 C ATOM 276 CG ASP A 20 -3.022 15.428 -8.788 1.00 0.00 C ATOM 277 OD1 ASP A 20 -1.881 15.558 -9.281 1.00 0.00 O ATOM 278 OD2 ASP A 20 -4.099 15.747 -9.336 1.00 0.00 O ATOM 0 H ASP A 20 -1.501 13.510 -5.977 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.610 16.261 -6.821 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.887 13.760 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.135 14.916 -7.030 1.00 0.00 H new ATOM 283 N PRO A 21 -3.535 17.237 -5.385 1.00 0.00 N ATOM 284 CA PRO A 21 -4.368 17.867 -4.375 1.00 0.00 C ATOM 285 C PRO A 21 -5.776 17.266 -4.373 1.00 0.00 C ATOM 286 O PRO A 21 -6.737 17.928 -4.761 1.00 0.00 O ATOM 287 CB PRO A 21 -4.355 19.347 -4.720 1.00 0.00 C ATOM 288 CG PRO A 21 -3.901 19.433 -6.168 1.00 0.00 C ATOM 289 CD PRO A 21 -3.322 18.082 -6.557 1.00 0.00 C ATOM 0 HA PRO A 21 -3.997 17.705 -3.363 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -5.345 19.786 -4.594 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -3.678 19.895 -4.065 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -4.739 19.690 -6.816 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -3.153 20.217 -6.288 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.823 17.675 -7.435 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -2.263 18.161 -6.802 1.00 0.00 H new ATOM 297 N ARG A 22 -5.852 16.020 -3.931 1.00 0.00 N ATOM 298 CA ARG A 22 -7.125 15.322 -3.873 1.00 0.00 C ATOM 299 C ARG A 22 -7.071 14.203 -2.831 1.00 0.00 C ATOM 300 O ARG A 22 -7.999 14.040 -2.040 1.00 0.00 O ATOM 301 CB ARG A 22 -7.489 14.726 -5.234 1.00 0.00 C ATOM 302 CG ARG A 22 -8.271 15.731 -6.082 1.00 0.00 C ATOM 303 CD ARG A 22 -9.159 15.015 -7.102 1.00 0.00 C ATOM 304 NE ARG A 22 -10.579 15.353 -6.862 1.00 0.00 N ATOM 305 CZ ARG A 22 -11.560 15.152 -7.752 1.00 0.00 C ATOM 306 NH1 ARG A 22 -11.280 14.614 -8.947 1.00 0.00 N ATOM 307 NH2 ARG A 22 -12.821 15.489 -7.448 1.00 0.00 N ATOM 0 H ARG A 22 -5.052 15.475 -3.609 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.888 16.048 -3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -6.581 14.430 -5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -8.084 13.824 -5.092 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.886 16.357 -5.435 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.577 16.393 -6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -8.873 15.306 -8.113 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.016 13.937 -7.028 1.00 0.00 H new ATOM 0 HE ARG A 22 -10.827 15.765 -5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -10.320 14.358 -9.179 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.027 14.461 -9.625 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -13.034 15.899 -6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.567 15.336 -8.126 1.00 0.00 H new ATOM 321 N LEU A 23 -5.974 13.460 -2.865 1.00 0.00 N ATOM 322 CA LEU A 23 -5.786 12.360 -1.933 1.00 0.00 C ATOM 323 C LEU A 23 -6.924 11.352 -2.105 1.00 0.00 C ATOM 324 O LEU A 23 -7.720 11.147 -1.190 1.00 0.00 O ATOM 325 CB LEU A 23 -5.642 12.887 -0.504 1.00 0.00 C ATOM 326 CG LEU A 23 -4.238 13.333 -0.092 1.00 0.00 C ATOM 327 CD1 LEU A 23 -3.358 12.129 0.249 1.00 0.00 C ATOM 328 CD2 LEU A 23 -3.606 14.218 -1.168 1.00 0.00 C ATOM 0 H LEU A 23 -5.207 13.598 -3.523 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.857 11.833 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -6.321 13.730 -0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.971 12.108 0.184 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.323 13.936 0.812 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.365 12.474 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.804 11.574 1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.276 11.480 -0.623 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.608 14.521 -0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.535 13.661 -2.102 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.223 15.103 -1.320 1.00 0.00 H new ATOM 340 N PRO A 24 -6.967 10.734 -3.316 1.00 0.00 N ATOM 341 CA PRO A 24 -7.994 9.753 -3.619 1.00 0.00 C ATOM 342 C PRO A 24 -7.710 8.425 -2.913 1.00 0.00 C ATOM 343 O PRO A 24 -6.680 7.798 -3.154 1.00 0.00 O ATOM 344 CB PRO A 24 -7.988 9.632 -5.135 1.00 0.00 C ATOM 345 CG PRO A 24 -6.653 10.197 -5.592 1.00 0.00 C ATOM 346 CD PRO A 24 -6.042 10.953 -4.424 1.00 0.00 C ATOM 0 HA PRO A 24 -8.979 10.051 -3.260 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.099 8.593 -5.444 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.818 10.186 -5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -5.990 9.395 -5.916 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.792 10.861 -6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.046 10.579 -4.188 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.939 12.014 -4.650 1.00 0.00 H new ATOM 354 N TYR A 25 -8.642 8.037 -2.055 1.00 0.00 N ATOM 355 CA TYR A 25 -8.505 6.796 -1.312 1.00 0.00 C ATOM 356 C TYR A 25 -8.696 5.585 -2.228 1.00 0.00 C ATOM 357 O TYR A 25 -9.370 5.677 -3.252 1.00 0.00 O ATOM 358 CB TYR A 25 -9.619 6.807 -0.263 1.00 0.00 C ATOM 359 CG TYR A 25 -10.959 6.272 -0.772 1.00 0.00 C ATOM 360 CD1 TYR A 25 -11.696 7.006 -1.678 1.00 0.00 C ATOM 361 CD2 TYR A 25 -11.430 5.054 -0.325 1.00 0.00 C ATOM 362 CE1 TYR A 25 -12.957 6.502 -2.158 1.00 0.00 C ATOM 363 CE2 TYR A 25 -12.691 4.550 -0.804 1.00 0.00 C ATOM 364 CZ TYR A 25 -13.392 5.299 -1.697 1.00 0.00 C ATOM 365 OH TYR A 25 -14.583 4.822 -2.149 1.00 0.00 O ATOM 0 H TYR A 25 -9.495 8.560 -1.858 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.513 6.723 -0.867 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.303 6.211 0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.759 7.828 0.093 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -11.327 7.959 -2.028 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -10.853 4.479 0.384 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -13.544 7.067 -2.868 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -13.071 3.599 -0.462 1.00 0.00 H new ATOM 0 HH TYR A 25 -14.766 3.953 -1.735 1.00 0.00 H new ATOM 375 N LYS A 26 -8.089 4.478 -1.825 1.00 0.00 N ATOM 376 CA LYS A 26 -8.183 3.250 -2.597 1.00 0.00 C ATOM 377 C LYS A 26 -8.572 2.098 -1.668 1.00 0.00 C ATOM 378 O LYS A 26 -8.205 2.091 -0.494 1.00 0.00 O ATOM 379 CB LYS A 26 -6.888 3.004 -3.373 1.00 0.00 C ATOM 380 CG LYS A 26 -7.172 2.789 -4.860 1.00 0.00 C ATOM 381 CD LYS A 26 -7.437 1.312 -5.160 1.00 0.00 C ATOM 382 CE LYS A 26 -6.150 0.598 -5.577 1.00 0.00 C ATOM 383 NZ LYS A 26 -5.555 -0.115 -4.425 1.00 0.00 N ATOM 0 H LYS A 26 -7.531 4.406 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.967 3.332 -3.350 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.217 3.854 -3.246 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -6.377 2.131 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.034 3.385 -5.159 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -6.324 3.137 -5.450 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.856 0.828 -4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -8.179 1.226 -5.954 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -6.363 -0.109 -6.379 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -5.437 1.322 -5.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.710 -0.635 -4.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -5.287 0.572 -3.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.249 -0.784 -4.035 1.00 0.00 H new ATOM 397 N VAL A 27 -9.310 1.152 -2.229 1.00 0.00 N ATOM 398 CA VAL A 27 -9.753 -0.003 -1.466 1.00 0.00 C ATOM 399 C VAL A 27 -9.599 -1.263 -2.320 1.00 0.00 C ATOM 400 O VAL A 27 -10.474 -1.585 -3.121 1.00 0.00 O ATOM 401 CB VAL A 27 -11.185 0.214 -0.973 1.00 0.00 C ATOM 402 CG1 VAL A 27 -11.808 -1.102 -0.502 1.00 0.00 C ATOM 403 CG2 VAL A 27 -11.231 1.269 0.134 1.00 0.00 C ATOM 0 H VAL A 27 -9.613 1.161 -3.203 1.00 0.00 H new ATOM 0 HA VAL A 27 -9.134 -0.135 -0.578 1.00 0.00 H new ATOM 0 HB VAL A 27 -11.775 0.583 -1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.826 -0.920 -0.157 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.827 -1.812 -1.329 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -11.216 -1.513 0.316 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.260 1.403 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.619 0.942 0.974 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -10.847 2.215 -0.248 1.00 0.00 H new ATOM 413 N LEU A 28 -8.478 -1.941 -2.119 1.00 0.00 N ATOM 414 CA LEU A 28 -8.198 -3.159 -2.860 1.00 0.00 C ATOM 415 C LEU A 28 -8.665 -4.367 -2.045 1.00 0.00 C ATOM 416 O LEU A 28 -8.450 -4.425 -0.836 1.00 0.00 O ATOM 417 CB LEU A 28 -6.721 -3.218 -3.255 1.00 0.00 C ATOM 418 CG LEU A 28 -6.429 -3.272 -4.756 1.00 0.00 C ATOM 419 CD1 LEU A 28 -4.928 -3.148 -5.027 1.00 0.00 C ATOM 420 CD2 LEU A 28 -7.023 -4.533 -5.385 1.00 0.00 C ATOM 0 H LEU A 28 -7.754 -1.670 -1.454 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.756 -3.171 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -6.219 -2.345 -2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -6.275 -4.095 -2.787 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.913 -2.418 -5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.748 -3.189 -6.101 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.565 -2.198 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -4.401 -3.968 -4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.801 -4.547 -6.452 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.589 -5.414 -4.913 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.103 -4.538 -5.239 1.00 0.00 H new ATOM 432 N SER A 29 -9.297 -5.301 -2.741 1.00 0.00 N ATOM 433 CA SER A 29 -9.797 -6.504 -2.097 1.00 0.00 C ATOM 434 C SER A 29 -9.015 -7.724 -2.588 1.00 0.00 C ATOM 435 O SER A 29 -9.076 -8.071 -3.767 1.00 0.00 O ATOM 436 CB SER A 29 -11.292 -6.689 -2.361 1.00 0.00 C ATOM 437 OG SER A 29 -11.936 -7.404 -1.310 1.00 0.00 O ATOM 0 H SER A 29 -9.474 -5.249 -3.744 1.00 0.00 H new ATOM 0 HA SER A 29 -9.656 -6.400 -1.021 1.00 0.00 H new ATOM 0 HB2 SER A 29 -11.763 -5.713 -2.477 1.00 0.00 H new ATOM 0 HB3 SER A 29 -11.431 -7.223 -3.301 1.00 0.00 H new ATOM 0 HG SER A 29 -12.889 -7.500 -1.516 1.00 0.00 H new ATOM 443 N VAL A 30 -8.299 -8.341 -1.660 1.00 0.00 N ATOM 444 CA VAL A 30 -7.507 -9.515 -1.984 1.00 0.00 C ATOM 445 C VAL A 30 -7.514 -10.475 -0.792 1.00 0.00 C ATOM 446 O VAL A 30 -7.819 -10.074 0.330 1.00 0.00 O ATOM 447 CB VAL A 30 -6.097 -9.095 -2.404 1.00 0.00 C ATOM 448 CG1 VAL A 30 -6.133 -7.814 -3.240 1.00 0.00 C ATOM 449 CG2 VAL A 30 -5.188 -8.929 -1.185 1.00 0.00 C ATOM 0 H VAL A 30 -8.251 -8.050 -0.684 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.940 -10.046 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.682 -9.889 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.118 -7.537 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.729 -7.981 -4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.577 -7.009 -2.654 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.192 -8.630 -1.512 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -5.599 -8.164 -0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -5.125 -9.875 -0.647 1.00 0.00 H new ATOM 459 N PRO A 31 -7.166 -11.757 -1.085 1.00 0.00 N ATOM 460 CA PRO A 31 -7.130 -12.777 -0.051 1.00 0.00 C ATOM 461 C PRO A 31 -5.898 -12.609 0.842 1.00 0.00 C ATOM 462 O PRO A 31 -4.864 -12.117 0.393 1.00 0.00 O ATOM 463 CB PRO A 31 -7.145 -14.098 -0.801 1.00 0.00 C ATOM 464 CG PRO A 31 -6.720 -13.774 -2.224 1.00 0.00 C ATOM 465 CD PRO A 31 -6.800 -12.267 -2.403 1.00 0.00 C ATOM 0 HA PRO A 31 -7.976 -12.713 0.633 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -6.463 -14.815 -0.343 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -8.138 -14.546 -0.783 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -5.705 -14.127 -2.409 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.369 -14.278 -2.940 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.847 -11.856 -2.736 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.543 -11.996 -3.153 1.00 0.00 H new ATOM 473 N GLU A 32 -6.050 -13.029 2.089 1.00 0.00 N ATOM 474 CA GLU A 32 -4.963 -12.932 3.048 1.00 0.00 C ATOM 475 C GLU A 32 -3.714 -13.632 2.508 1.00 0.00 C ATOM 476 O GLU A 32 -2.659 -13.013 2.379 1.00 0.00 O ATOM 477 CB GLU A 32 -5.374 -13.512 4.403 1.00 0.00 C ATOM 478 CG GLU A 32 -6.505 -12.694 5.030 1.00 0.00 C ATOM 479 CD GLU A 32 -6.919 -13.277 6.382 1.00 0.00 C ATOM 480 OE1 GLU A 32 -6.236 -12.948 7.376 1.00 0.00 O ATOM 481 OE2 GLU A 32 -7.910 -14.039 6.392 1.00 0.00 O ATOM 0 H GLU A 32 -6.909 -13.437 2.457 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.729 -11.878 3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.695 -14.546 4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -4.514 -13.524 5.073 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -6.183 -11.661 5.159 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.363 -12.679 4.358 1.00 0.00 H new ATOM 488 N SER A 33 -3.876 -14.912 2.208 1.00 0.00 N ATOM 489 CA SER A 33 -2.774 -15.702 1.684 1.00 0.00 C ATOM 490 C SER A 33 -1.933 -14.858 0.726 1.00 0.00 C ATOM 491 O SER A 33 -0.738 -14.667 0.946 1.00 0.00 O ATOM 492 CB SER A 33 -3.286 -16.958 0.976 1.00 0.00 C ATOM 493 OG SER A 33 -3.145 -18.123 1.785 1.00 0.00 O ATOM 0 H SER A 33 -4.753 -15.422 2.317 1.00 0.00 H new ATOM 0 HA SER A 33 -2.151 -16.017 2.521 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.335 -16.824 0.714 1.00 0.00 H new ATOM 0 HB3 SER A 33 -2.740 -17.096 0.043 1.00 0.00 H new ATOM 0 HG SER A 33 -3.485 -18.903 1.298 1.00 0.00 H new ATOM 499 N THR A 34 -2.590 -14.374 -0.318 1.00 0.00 N ATOM 500 CA THR A 34 -1.917 -13.554 -1.312 1.00 0.00 C ATOM 501 C THR A 34 -0.926 -12.605 -0.636 1.00 0.00 C ATOM 502 O THR A 34 -1.181 -12.112 0.461 1.00 0.00 O ATOM 503 CB THR A 34 -2.988 -12.831 -2.132 1.00 0.00 C ATOM 504 OG1 THR A 34 -3.462 -13.825 -3.036 1.00 0.00 O ATOM 505 CG2 THR A 34 -2.399 -11.751 -3.041 1.00 0.00 C ATOM 0 H THR A 34 -3.581 -14.534 -0.497 1.00 0.00 H new ATOM 0 HA THR A 34 -1.323 -14.164 -1.993 1.00 0.00 H new ATOM 0 HB THR A 34 -3.718 -12.381 -1.459 1.00 0.00 H new ATOM 0 HG1 THR A 34 -4.041 -13.407 -3.707 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.201 -11.269 -3.600 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.882 -11.007 -2.435 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.694 -12.206 -3.737 1.00 0.00 H new ATOM 513 N PRO A 35 0.215 -12.370 -1.339 1.00 0.00 N ATOM 514 CA PRO A 35 1.247 -11.489 -0.819 1.00 0.00 C ATOM 515 C PRO A 35 0.828 -10.022 -0.943 1.00 0.00 C ATOM 516 O PRO A 35 -0.021 -9.683 -1.766 1.00 0.00 O ATOM 517 CB PRO A 35 2.491 -11.821 -1.625 1.00 0.00 C ATOM 518 CG PRO A 35 2.001 -12.539 -2.872 1.00 0.00 C ATOM 519 CD PRO A 35 0.552 -12.936 -2.642 1.00 0.00 C ATOM 0 HA PRO A 35 1.428 -11.636 0.246 1.00 0.00 H new ATOM 0 HB2 PRO A 35 3.040 -10.916 -1.886 1.00 0.00 H new ATOM 0 HB3 PRO A 35 3.170 -12.452 -1.052 1.00 0.00 H new ATOM 0 HG2 PRO A 35 2.085 -11.890 -3.744 1.00 0.00 H new ATOM 0 HG3 PRO A 35 2.611 -13.420 -3.070 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -0.096 -12.541 -3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.433 -14.019 -2.646 1.00 0.00 H new ATOM 527 N PHE A 36 1.443 -9.192 -0.113 1.00 0.00 N ATOM 528 CA PHE A 36 1.145 -7.770 -0.119 1.00 0.00 C ATOM 529 C PHE A 36 1.946 -7.047 -1.204 1.00 0.00 C ATOM 530 O PHE A 36 1.432 -6.143 -1.861 1.00 0.00 O ATOM 531 CB PHE A 36 1.552 -7.222 1.250 1.00 0.00 C ATOM 532 CG PHE A 36 0.790 -5.962 1.667 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.102 -4.762 1.108 1.00 0.00 C ATOM 534 CD2 PHE A 36 -0.199 -6.042 2.597 1.00 0.00 C ATOM 535 CE1 PHE A 36 0.396 -3.593 1.496 1.00 0.00 C ATOM 536 CE2 PHE A 36 -0.906 -4.873 2.984 1.00 0.00 C ATOM 537 CZ PHE A 36 -0.594 -3.673 2.426 1.00 0.00 C ATOM 0 H PHE A 36 2.146 -9.477 0.568 1.00 0.00 H new ATOM 0 HA PHE A 36 0.086 -7.612 -0.321 1.00 0.00 H new ATOM 0 HB2 PHE A 36 1.394 -7.996 2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.619 -7.002 1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.887 -4.698 0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.447 -6.995 3.041 1.00 0.00 H new ATOM 0 HE1 PHE A 36 0.645 -2.640 1.053 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.692 -4.937 3.722 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.132 -2.784 2.721 1.00 0.00 H new ATOM 547 N THR A 37 3.192 -7.471 -1.357 1.00 0.00 N ATOM 548 CA THR A 37 4.069 -6.875 -2.350 1.00 0.00 C ATOM 549 C THR A 37 3.318 -6.664 -3.666 1.00 0.00 C ATOM 550 O THR A 37 3.571 -5.695 -4.381 1.00 0.00 O ATOM 551 CB THR A 37 5.301 -7.771 -2.491 1.00 0.00 C ATOM 552 OG1 THR A 37 6.279 -6.924 -3.089 1.00 0.00 O ATOM 553 CG2 THR A 37 5.099 -8.889 -3.515 1.00 0.00 C ATOM 0 H THR A 37 3.615 -8.221 -0.810 1.00 0.00 H new ATOM 0 HA THR A 37 4.403 -5.885 -2.040 1.00 0.00 H new ATOM 0 HB THR A 37 5.545 -8.207 -1.522 1.00 0.00 H new ATOM 0 HG1 THR A 37 7.112 -7.425 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.003 -9.495 -3.576 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.262 -9.516 -3.208 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.888 -8.454 -4.492 1.00 0.00 H new ATOM 561 N ALA A 38 2.409 -7.586 -3.946 1.00 0.00 N ATOM 562 CA ALA A 38 1.619 -7.513 -5.164 1.00 0.00 C ATOM 563 C ALA A 38 0.662 -6.323 -5.075 1.00 0.00 C ATOM 564 O ALA A 38 0.564 -5.528 -6.009 1.00 0.00 O ATOM 565 CB ALA A 38 0.884 -8.838 -5.377 1.00 0.00 C ATOM 0 H ALA A 38 2.202 -8.388 -3.351 1.00 0.00 H new ATOM 0 HA ALA A 38 2.262 -7.355 -6.030 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.292 -8.783 -6.290 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.610 -9.647 -5.463 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.226 -9.030 -4.529 1.00 0.00 H new ATOM 571 N VAL A 39 -0.021 -6.237 -3.943 1.00 0.00 N ATOM 572 CA VAL A 39 -0.968 -5.157 -3.720 1.00 0.00 C ATOM 573 C VAL A 39 -0.379 -3.850 -4.254 1.00 0.00 C ATOM 574 O VAL A 39 -1.097 -3.029 -4.823 1.00 0.00 O ATOM 575 CB VAL A 39 -1.338 -5.084 -2.237 1.00 0.00 C ATOM 576 CG1 VAL A 39 -2.234 -3.876 -1.955 1.00 0.00 C ATOM 577 CG2 VAL A 39 -2.003 -6.381 -1.773 1.00 0.00 C ATOM 0 H VAL A 39 0.062 -6.897 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.894 -5.342 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.417 -4.958 -1.667 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.483 -3.847 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.709 -2.961 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.150 -3.958 -2.540 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.256 -6.302 -0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.911 -6.551 -2.351 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -1.317 -7.215 -1.921 1.00 0.00 H new ATOM 587 N LEU A 40 0.921 -3.698 -4.053 1.00 0.00 N ATOM 588 CA LEU A 40 1.615 -2.505 -4.507 1.00 0.00 C ATOM 589 C LEU A 40 1.375 -2.321 -6.007 1.00 0.00 C ATOM 590 O LEU A 40 0.793 -1.323 -6.429 1.00 0.00 O ATOM 591 CB LEU A 40 3.094 -2.566 -4.124 1.00 0.00 C ATOM 592 CG LEU A 40 3.920 -1.316 -4.435 1.00 0.00 C ATOM 593 CD1 LEU A 40 3.878 -0.989 -5.929 1.00 0.00 C ATOM 594 CD2 LEU A 40 3.469 -0.133 -3.577 1.00 0.00 C ATOM 0 H LEU A 40 1.513 -4.382 -3.581 1.00 0.00 H new ATOM 0 HA LEU A 40 1.218 -1.621 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.164 -2.767 -3.055 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.547 -3.414 -4.638 1.00 0.00 H new ATOM 0 HG LEU A 40 4.959 -1.521 -4.179 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.473 -0.096 -6.123 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.284 -1.826 -6.496 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.847 -0.811 -6.234 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.072 0.742 -3.818 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.420 0.083 -3.778 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.593 -0.380 -2.523 1.00 0.00 H new ATOM 606 N LYS A 41 1.836 -3.300 -6.772 1.00 0.00 N ATOM 607 CA LYS A 41 1.679 -3.259 -8.216 1.00 0.00 C ATOM 608 C LYS A 41 0.204 -3.039 -8.558 1.00 0.00 C ATOM 609 O LYS A 41 -0.142 -2.074 -9.239 1.00 0.00 O ATOM 610 CB LYS A 41 2.278 -4.513 -8.856 1.00 0.00 C ATOM 611 CG LYS A 41 1.476 -4.936 -10.088 1.00 0.00 C ATOM 612 CD LYS A 41 2.062 -6.203 -10.716 1.00 0.00 C ATOM 613 CE LYS A 41 2.124 -6.082 -12.240 1.00 0.00 C ATOM 614 NZ LYS A 41 1.400 -7.204 -12.878 1.00 0.00 N ATOM 0 H LYS A 41 2.318 -4.126 -6.419 1.00 0.00 H new ATOM 0 HA LYS A 41 2.233 -2.419 -8.636 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.313 -4.322 -9.139 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.291 -5.326 -8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.438 -5.112 -9.807 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.476 -4.129 -10.821 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.062 -6.380 -10.321 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.454 -7.064 -10.441 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.687 -5.134 -12.554 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.163 -6.078 -12.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.452 -7.107 -13.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.835 -8.105 -12.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.404 -7.190 -12.578 1.00 0.00 H new ATOM 628 N PHE A 42 -0.626 -3.949 -8.070 1.00 0.00 N ATOM 629 CA PHE A 42 -2.056 -3.866 -8.316 1.00 0.00 C ATOM 630 C PHE A 42 -2.586 -2.466 -8.001 1.00 0.00 C ATOM 631 O PHE A 42 -3.334 -1.889 -8.789 1.00 0.00 O ATOM 632 CB PHE A 42 -2.729 -4.875 -7.384 1.00 0.00 C ATOM 633 CG PHE A 42 -4.131 -5.295 -7.830 1.00 0.00 C ATOM 634 CD1 PHE A 42 -5.077 -4.351 -8.079 1.00 0.00 C ATOM 635 CD2 PHE A 42 -4.431 -6.614 -7.977 1.00 0.00 C ATOM 636 CE1 PHE A 42 -6.378 -4.741 -8.493 1.00 0.00 C ATOM 637 CE2 PHE A 42 -5.732 -7.004 -8.391 1.00 0.00 C ATOM 638 CZ PHE A 42 -6.678 -6.059 -8.641 1.00 0.00 C ATOM 0 H PHE A 42 -0.336 -4.747 -7.506 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.266 -4.077 -9.364 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -2.101 -5.763 -7.312 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -2.790 -4.446 -6.384 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -4.839 -3.304 -7.962 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -3.680 -7.364 -7.779 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -7.129 -3.991 -8.690 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.970 -8.051 -8.507 1.00 0.00 H new ATOM 0 HZ PHE A 42 -7.667 -6.356 -8.957 1.00 0.00 H new ATOM 648 N ALA A 43 -2.178 -1.959 -6.847 1.00 0.00 N ATOM 649 CA ALA A 43 -2.603 -0.637 -6.418 1.00 0.00 C ATOM 650 C ALA A 43 -2.210 0.390 -7.481 1.00 0.00 C ATOM 651 O ALA A 43 -3.065 1.094 -8.015 1.00 0.00 O ATOM 652 CB ALA A 43 -1.992 -0.324 -5.050 1.00 0.00 C ATOM 0 H ALA A 43 -1.558 -2.440 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.687 -0.599 -6.308 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.310 0.667 -4.728 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.325 -1.066 -4.324 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.905 -0.350 -5.123 1.00 0.00 H new ATOM 658 N ALA A 44 -0.915 0.443 -7.757 1.00 0.00 N ATOM 659 CA ALA A 44 -0.398 1.373 -8.747 1.00 0.00 C ATOM 660 C ALA A 44 -1.247 1.282 -10.017 1.00 0.00 C ATOM 661 O ALA A 44 -1.772 2.289 -10.490 1.00 0.00 O ATOM 662 CB ALA A 44 1.078 1.070 -9.010 1.00 0.00 C ATOM 0 H ALA A 44 -0.208 -0.143 -7.312 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.460 2.398 -8.381 1.00 0.00 H new ATOM 0 HB1 ALA A 44 1.466 1.767 -9.752 1.00 0.00 H new ATOM 0 HB2 ALA A 44 1.642 1.176 -8.083 1.00 0.00 H new ATOM 0 HB3 ALA A 44 1.179 0.050 -9.382 1.00 0.00 H new ATOM 668 N GLU A 45 -1.356 0.067 -10.533 1.00 0.00 N ATOM 669 CA GLU A 45 -2.132 -0.168 -11.738 1.00 0.00 C ATOM 670 C GLU A 45 -3.544 0.400 -11.580 1.00 0.00 C ATOM 671 O GLU A 45 -4.211 0.699 -12.569 1.00 0.00 O ATOM 672 CB GLU A 45 -2.176 -1.659 -12.080 1.00 0.00 C ATOM 673 CG GLU A 45 -1.249 -1.979 -13.255 1.00 0.00 C ATOM 674 CD GLU A 45 -1.849 -3.070 -14.145 1.00 0.00 C ATOM 675 OE1 GLU A 45 -2.252 -4.108 -13.577 1.00 0.00 O ATOM 676 OE2 GLU A 45 -1.892 -2.841 -15.373 1.00 0.00 O ATOM 0 H GLU A 45 -0.919 -0.766 -10.138 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.645 0.347 -12.566 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -1.881 -2.244 -11.209 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.197 -1.949 -12.328 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -1.078 -1.078 -13.844 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.279 -2.304 -12.879 1.00 0.00 H new ATOM 683 N GLU A 46 -3.957 0.531 -10.328 1.00 0.00 N ATOM 684 CA GLU A 46 -5.278 1.058 -10.027 1.00 0.00 C ATOM 685 C GLU A 46 -5.281 2.583 -10.148 1.00 0.00 C ATOM 686 O GLU A 46 -6.239 3.168 -10.650 1.00 0.00 O ATOM 687 CB GLU A 46 -5.741 0.616 -8.637 1.00 0.00 C ATOM 688 CG GLU A 46 -7.058 -0.157 -8.718 1.00 0.00 C ATOM 689 CD GLU A 46 -8.241 0.733 -8.332 1.00 0.00 C ATOM 690 OE1 GLU A 46 -8.194 1.928 -8.695 1.00 0.00 O ATOM 691 OE2 GLU A 46 -9.166 0.198 -7.684 1.00 0.00 O ATOM 0 H GLU A 46 -3.401 0.282 -9.510 1.00 0.00 H new ATOM 0 HA GLU A 46 -5.983 0.655 -10.753 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.976 -0.009 -8.177 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.867 1.489 -7.997 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.199 -0.537 -9.730 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -7.018 -1.022 -8.056 1.00 0.00 H new ATOM 698 N PHE A 47 -4.197 3.184 -9.678 1.00 0.00 N ATOM 699 CA PHE A 47 -4.063 4.630 -9.727 1.00 0.00 C ATOM 700 C PHE A 47 -3.402 5.075 -11.033 1.00 0.00 C ATOM 701 O PHE A 47 -2.936 6.209 -11.142 1.00 0.00 O ATOM 702 CB PHE A 47 -3.170 5.036 -8.553 1.00 0.00 C ATOM 703 CG PHE A 47 -3.923 5.230 -7.236 1.00 0.00 C ATOM 704 CD1 PHE A 47 -4.744 6.301 -7.073 1.00 0.00 C ATOM 705 CD2 PHE A 47 -3.772 4.330 -6.227 1.00 0.00 C ATOM 706 CE1 PHE A 47 -5.444 6.481 -5.851 1.00 0.00 C ATOM 707 CE2 PHE A 47 -4.471 4.510 -5.004 1.00 0.00 C ATOM 708 CZ PHE A 47 -5.293 5.582 -4.842 1.00 0.00 C ATOM 0 H PHE A 47 -3.404 2.696 -9.262 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.046 5.097 -9.671 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.404 4.274 -8.412 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -2.655 5.963 -8.805 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.864 7.016 -7.874 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.120 3.478 -6.356 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.096 7.332 -5.723 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.350 3.796 -4.203 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.825 5.719 -3.912 1.00 0.00 H new ATOM 718 N LYS A 48 -3.383 4.160 -11.991 1.00 0.00 N ATOM 719 CA LYS A 48 -2.787 4.445 -13.286 1.00 0.00 C ATOM 720 C LYS A 48 -1.395 5.045 -13.080 1.00 0.00 C ATOM 721 O LYS A 48 -1.140 6.181 -13.478 1.00 0.00 O ATOM 722 CB LYS A 48 -3.718 5.324 -14.123 1.00 0.00 C ATOM 723 CG LYS A 48 -4.639 4.470 -14.997 1.00 0.00 C ATOM 724 CD LYS A 48 -5.934 4.127 -14.259 1.00 0.00 C ATOM 725 CE LYS A 48 -7.089 5.007 -14.741 1.00 0.00 C ATOM 726 NZ LYS A 48 -8.004 5.322 -13.621 1.00 0.00 N ATOM 0 H LYS A 48 -3.770 3.221 -11.897 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.657 3.525 -13.857 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -4.316 5.955 -13.466 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.127 5.989 -14.753 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.872 5.006 -15.917 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.126 3.552 -15.284 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.181 3.077 -14.419 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.792 4.262 -13.187 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.697 5.930 -15.168 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.637 4.496 -15.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.782 5.920 -13.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.392 4.439 -13.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.482 5.828 -12.878 1.00 0.00 H new ATOM 740 N VAL A 49 -0.530 4.256 -12.459 1.00 0.00 N ATOM 741 CA VAL A 49 0.830 4.696 -12.197 1.00 0.00 C ATOM 742 C VAL A 49 1.791 3.526 -12.418 1.00 0.00 C ATOM 743 O VAL A 49 1.368 2.372 -12.471 1.00 0.00 O ATOM 744 CB VAL A 49 0.925 5.289 -10.790 1.00 0.00 C ATOM 745 CG1 VAL A 49 0.678 6.799 -10.814 1.00 0.00 C ATOM 746 CG2 VAL A 49 -0.043 4.591 -9.833 1.00 0.00 C ATOM 0 H VAL A 49 -0.745 3.315 -12.130 1.00 0.00 H new ATOM 0 HA VAL A 49 1.116 5.487 -12.890 1.00 0.00 H new ATOM 0 HB VAL A 49 1.938 5.120 -10.424 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.751 7.196 -9.801 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.424 7.280 -11.447 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -0.317 6.999 -11.211 1.00 0.00 H new ATOM 0 HG21 VAL A 49 0.045 5.032 -8.840 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.064 4.713 -10.195 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.199 3.529 -9.781 1.00 0.00 H new ATOM 756 N PRO A 50 3.099 3.874 -12.545 1.00 0.00 N ATOM 757 CA PRO A 50 4.124 2.866 -12.760 1.00 0.00 C ATOM 758 C PRO A 50 4.417 2.099 -11.469 1.00 0.00 C ATOM 759 O PRO A 50 4.532 2.696 -10.400 1.00 0.00 O ATOM 760 CB PRO A 50 5.328 3.634 -13.281 1.00 0.00 C ATOM 761 CG PRO A 50 5.092 5.087 -12.900 1.00 0.00 C ATOM 762 CD PRO A 50 3.636 5.230 -12.488 1.00 0.00 C ATOM 0 HA PRO A 50 3.818 2.100 -13.473 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.251 3.259 -12.839 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.424 3.524 -14.361 1.00 0.00 H new ATOM 0 HG2 PRO A 50 5.751 5.379 -12.082 1.00 0.00 H new ATOM 0 HG3 PRO A 50 5.317 5.743 -13.740 1.00 0.00 H new ATOM 0 HD2 PRO A 50 3.548 5.649 -11.486 1.00 0.00 H new ATOM 0 HD3 PRO A 50 3.098 5.897 -13.161 1.00 0.00 H new ATOM 770 N ALA A 51 4.530 0.786 -11.611 1.00 0.00 N ATOM 771 CA ALA A 51 4.807 -0.069 -10.470 1.00 0.00 C ATOM 772 C ALA A 51 6.321 -0.183 -10.280 1.00 0.00 C ATOM 773 O ALA A 51 6.861 -1.286 -10.211 1.00 0.00 O ATOM 774 CB ALA A 51 4.142 -1.431 -10.679 1.00 0.00 C ATOM 0 H ALA A 51 4.435 0.294 -12.499 1.00 0.00 H new ATOM 0 HA ALA A 51 4.391 0.360 -9.559 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.350 -2.073 -9.823 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.065 -1.298 -10.780 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.537 -1.894 -11.583 1.00 0.00 H new ATOM 780 N ALA A 52 6.964 0.973 -10.200 1.00 0.00 N ATOM 781 CA ALA A 52 8.405 1.017 -10.019 1.00 0.00 C ATOM 782 C ALA A 52 8.756 2.123 -9.022 1.00 0.00 C ATOM 783 O ALA A 52 9.429 1.873 -8.023 1.00 0.00 O ATOM 784 CB ALA A 52 9.084 1.218 -11.375 1.00 0.00 C ATOM 0 H ALA A 52 6.513 1.886 -10.257 1.00 0.00 H new ATOM 0 HA ALA A 52 8.769 0.075 -9.608 1.00 0.00 H new ATOM 0 HB1 ALA A 52 10.165 1.251 -11.239 1.00 0.00 H new ATOM 0 HB2 ALA A 52 8.826 0.391 -12.037 1.00 0.00 H new ATOM 0 HB3 ALA A 52 8.745 2.155 -11.816 1.00 0.00 H new ATOM 790 N THR A 53 8.284 3.323 -9.328 1.00 0.00 N ATOM 791 CA THR A 53 8.539 4.468 -8.471 1.00 0.00 C ATOM 792 C THR A 53 7.430 4.612 -7.427 1.00 0.00 C ATOM 793 O THR A 53 6.994 5.722 -7.127 1.00 0.00 O ATOM 794 CB THR A 53 8.696 5.701 -9.364 1.00 0.00 C ATOM 795 OG1 THR A 53 7.371 5.981 -9.806 1.00 0.00 O ATOM 796 CG2 THR A 53 9.463 5.397 -10.653 1.00 0.00 C ATOM 0 H THR A 53 7.727 3.527 -10.158 1.00 0.00 H new ATOM 0 HA THR A 53 9.461 4.339 -7.904 1.00 0.00 H new ATOM 0 HB THR A 53 9.212 6.486 -8.811 1.00 0.00 H new ATOM 0 HG1 THR A 53 7.380 6.768 -10.390 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.546 6.305 -11.250 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.460 5.033 -10.406 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.930 4.636 -11.223 1.00 0.00 H new ATOM 804 N SER A 54 7.004 3.472 -6.903 1.00 0.00 N ATOM 805 CA SER A 54 5.954 3.456 -5.899 1.00 0.00 C ATOM 806 C SER A 54 6.265 2.404 -4.833 1.00 0.00 C ATOM 807 O SER A 54 6.918 1.401 -5.117 1.00 0.00 O ATOM 808 CB SER A 54 4.589 3.181 -6.534 1.00 0.00 C ATOM 809 OG SER A 54 4.440 3.843 -7.787 1.00 0.00 O ATOM 0 H SER A 54 7.367 2.553 -7.155 1.00 0.00 H new ATOM 0 HA SER A 54 5.915 4.439 -5.429 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.464 2.107 -6.674 1.00 0.00 H new ATOM 0 HB3 SER A 54 3.801 3.508 -5.855 1.00 0.00 H new ATOM 0 HG SER A 54 4.504 3.188 -8.513 1.00 0.00 H new ATOM 815 N ALA A 55 5.782 2.668 -3.628 1.00 0.00 N ATOM 816 CA ALA A 55 6.000 1.757 -2.517 1.00 0.00 C ATOM 817 C ALA A 55 4.988 2.058 -1.410 1.00 0.00 C ATOM 818 O ALA A 55 4.338 3.102 -1.425 1.00 0.00 O ATOM 819 CB ALA A 55 7.447 1.877 -2.034 1.00 0.00 C ATOM 0 H ALA A 55 5.240 3.500 -3.396 1.00 0.00 H new ATOM 0 HA ALA A 55 5.847 0.725 -2.831 1.00 0.00 H new ATOM 0 HB1 ALA A 55 7.610 1.194 -1.201 1.00 0.00 H new ATOM 0 HB2 ALA A 55 8.125 1.624 -2.849 1.00 0.00 H new ATOM 0 HB3 ALA A 55 7.638 2.899 -1.708 1.00 0.00 H new ATOM 825 N ILE A 56 4.887 1.124 -0.475 1.00 0.00 N ATOM 826 CA ILE A 56 3.966 1.277 0.638 1.00 0.00 C ATOM 827 C ILE A 56 4.758 1.340 1.945 1.00 0.00 C ATOM 828 O ILE A 56 5.732 0.609 2.121 1.00 0.00 O ATOM 829 CB ILE A 56 2.908 0.171 0.613 1.00 0.00 C ATOM 830 CG1 ILE A 56 1.983 0.325 -0.596 1.00 0.00 C ATOM 831 CG2 ILE A 56 2.129 0.128 1.930 1.00 0.00 C ATOM 832 CD1 ILE A 56 1.404 -1.027 -1.018 1.00 0.00 C ATOM 0 H ILE A 56 5.428 0.259 -0.466 1.00 0.00 H new ATOM 0 HA ILE A 56 3.417 2.215 0.552 1.00 0.00 H new ATOM 0 HB ILE A 56 3.417 -0.787 0.509 1.00 0.00 H new ATOM 0 HG12 ILE A 56 1.172 1.012 -0.353 1.00 0.00 H new ATOM 0 HG13 ILE A 56 2.535 0.764 -1.427 1.00 0.00 H new ATOM 0 HG21 ILE A 56 1.384 -0.666 1.886 1.00 0.00 H new ATOM 0 HG22 ILE A 56 2.817 -0.065 2.753 1.00 0.00 H new ATOM 0 HG23 ILE A 56 1.631 1.084 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.750 -0.890 -1.879 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.216 -1.704 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 56 0.833 -1.452 -0.193 1.00 0.00 H new ATOM 844 N ILE A 57 4.311 2.220 2.829 1.00 0.00 N ATOM 845 CA ILE A 57 4.966 2.388 4.115 1.00 0.00 C ATOM 846 C ILE A 57 3.906 2.504 5.212 1.00 0.00 C ATOM 847 O ILE A 57 2.736 2.752 4.925 1.00 0.00 O ATOM 848 CB ILE A 57 5.937 3.570 4.071 1.00 0.00 C ATOM 849 CG1 ILE A 57 5.191 4.884 3.825 1.00 0.00 C ATOM 850 CG2 ILE A 57 7.041 3.335 3.038 1.00 0.00 C ATOM 851 CD1 ILE A 57 5.981 6.074 4.373 1.00 0.00 C ATOM 0 H ILE A 57 3.503 2.824 2.680 1.00 0.00 H new ATOM 0 HA ILE A 57 5.573 1.514 4.350 1.00 0.00 H new ATOM 0 HB ILE A 57 6.420 3.652 5.045 1.00 0.00 H new ATOM 0 HG12 ILE A 57 5.022 5.016 2.756 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.211 4.844 4.300 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.717 4.190 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 57 7.598 2.435 3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 57 6.595 3.212 2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 57 5.429 6.995 4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 57 6.127 5.951 5.446 1.00 0.00 H new ATOM 0 HD13 ILE A 57 6.951 6.125 3.879 1.00 0.00 H new ATOM 863 N THR A 58 4.353 2.319 6.445 1.00 0.00 N ATOM 864 CA THR A 58 3.457 2.399 7.586 1.00 0.00 C ATOM 865 C THR A 58 3.228 3.859 7.983 1.00 0.00 C ATOM 866 O THR A 58 3.977 4.743 7.569 1.00 0.00 O ATOM 867 CB THR A 58 4.049 1.549 8.713 1.00 0.00 C ATOM 868 OG1 THR A 58 5.277 2.199 9.029 1.00 0.00 O ATOM 869 CG2 THR A 58 4.474 0.159 8.236 1.00 0.00 C ATOM 0 H THR A 58 5.324 2.114 6.679 1.00 0.00 H new ATOM 0 HA THR A 58 2.471 2.002 7.343 1.00 0.00 H new ATOM 0 HB THR A 58 3.318 1.449 9.515 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.486 2.061 9.977 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.887 -0.403 9.074 1.00 0.00 H new ATOM 0 HG22 THR A 58 3.608 -0.369 7.837 1.00 0.00 H new ATOM 0 HG23 THR A 58 5.230 0.257 7.457 1.00 0.00 H new ATOM 877 N ASN A 59 2.190 4.066 8.780 1.00 0.00 N ATOM 878 CA ASN A 59 1.853 5.404 9.237 1.00 0.00 C ATOM 879 C ASN A 59 3.038 5.989 10.008 1.00 0.00 C ATOM 880 O ASN A 59 3.377 7.159 9.838 1.00 0.00 O ATOM 881 CB ASN A 59 0.646 5.377 10.175 1.00 0.00 C ATOM 882 CG ASN A 59 -0.654 5.181 9.392 1.00 0.00 C ATOM 883 OD1 ASN A 59 -0.982 4.094 8.946 1.00 0.00 O ATOM 884 ND2 ASN A 59 -1.372 6.291 9.249 1.00 0.00 N ATOM 0 H ASN A 59 1.571 3.330 9.121 1.00 0.00 H new ATOM 0 HA ASN A 59 1.617 6.010 8.362 1.00 0.00 H new ATOM 0 HB2 ASN A 59 0.763 4.572 10.900 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.598 6.309 10.738 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.256 6.265 8.740 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.039 7.169 9.648 1.00 0.00 H new ATOM 891 N ASP A 60 3.636 5.147 10.838 1.00 0.00 N ATOM 892 CA ASP A 60 4.776 5.566 11.636 1.00 0.00 C ATOM 893 C ASP A 60 5.889 6.057 10.708 1.00 0.00 C ATOM 894 O ASP A 60 6.783 6.785 11.137 1.00 0.00 O ATOM 895 CB ASP A 60 5.328 4.402 12.461 1.00 0.00 C ATOM 896 CG ASP A 60 5.487 4.687 13.956 1.00 0.00 C ATOM 897 OD1 ASP A 60 6.297 5.582 14.280 1.00 0.00 O ATOM 898 OD2 ASP A 60 4.794 4.003 14.741 1.00 0.00 O ATOM 0 H ASP A 60 3.353 4.177 10.975 1.00 0.00 H new ATOM 0 HA ASP A 60 4.445 6.359 12.307 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.667 3.544 12.338 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.299 4.117 12.055 1.00 0.00 H new ATOM 903 N GLY A 61 5.798 5.639 9.454 1.00 0.00 N ATOM 904 CA GLY A 61 6.786 6.028 8.462 1.00 0.00 C ATOM 905 C GLY A 61 7.907 4.991 8.370 1.00 0.00 C ATOM 906 O GLY A 61 9.084 5.332 8.479 1.00 0.00 O ATOM 0 H GLY A 61 5.055 5.035 9.102 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.306 6.138 7.489 1.00 0.00 H new ATOM 0 HA3 GLY A 61 7.205 7.000 8.722 1.00 0.00 H new ATOM 910 N ILE A 62 7.503 3.745 8.169 1.00 0.00 N ATOM 911 CA ILE A 62 8.458 2.656 8.060 1.00 0.00 C ATOM 912 C ILE A 62 8.025 1.714 6.935 1.00 0.00 C ATOM 913 O ILE A 62 6.840 1.418 6.791 1.00 0.00 O ATOM 914 CB ILE A 62 8.635 1.961 9.411 1.00 0.00 C ATOM 915 CG1 ILE A 62 9.061 2.960 10.490 1.00 0.00 C ATOM 916 CG2 ILE A 62 9.609 0.786 9.301 1.00 0.00 C ATOM 917 CD1 ILE A 62 9.157 2.281 11.858 1.00 0.00 C ATOM 0 H ILE A 62 6.526 3.466 8.079 1.00 0.00 H new ATOM 0 HA ILE A 62 9.443 3.039 7.794 1.00 0.00 H new ATOM 0 HB ILE A 62 7.671 1.552 9.713 1.00 0.00 H new ATOM 0 HG12 ILE A 62 10.025 3.395 10.227 1.00 0.00 H new ATOM 0 HG13 ILE A 62 8.343 3.779 10.536 1.00 0.00 H new ATOM 0 HG21 ILE A 62 9.716 0.310 10.276 1.00 0.00 H new ATOM 0 HG22 ILE A 62 9.225 0.061 8.583 1.00 0.00 H new ATOM 0 HG23 ILE A 62 10.581 1.149 8.965 1.00 0.00 H new ATOM 0 HD11 ILE A 62 9.461 3.012 12.607 1.00 0.00 H new ATOM 0 HD12 ILE A 62 8.185 1.868 12.128 1.00 0.00 H new ATOM 0 HD13 ILE A 62 9.893 1.478 11.815 1.00 0.00 H new ATOM 929 N GLY A 63 9.009 1.268 6.168 1.00 0.00 N ATOM 930 CA GLY A 63 8.744 0.364 5.061 1.00 0.00 C ATOM 931 C GLY A 63 8.040 -0.905 5.545 1.00 0.00 C ATOM 932 O GLY A 63 7.937 -1.141 6.748 1.00 0.00 O ATOM 0 H GLY A 63 9.991 1.516 6.291 1.00 0.00 H new ATOM 0 HA2 GLY A 63 8.125 0.866 4.317 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.681 0.100 4.571 1.00 0.00 H new ATOM 936 N ILE A 64 7.575 -1.689 4.584 1.00 0.00 N ATOM 937 CA ILE A 64 6.885 -2.928 4.897 1.00 0.00 C ATOM 938 C ILE A 64 7.649 -4.103 4.282 1.00 0.00 C ATOM 939 O ILE A 64 8.190 -3.988 3.183 1.00 0.00 O ATOM 940 CB ILE A 64 5.421 -2.851 4.460 1.00 0.00 C ATOM 941 CG1 ILE A 64 4.712 -1.670 5.126 1.00 0.00 C ATOM 942 CG2 ILE A 64 4.699 -4.174 4.724 1.00 0.00 C ATOM 943 CD1 ILE A 64 3.240 -1.609 4.711 1.00 0.00 C ATOM 0 H ILE A 64 7.663 -1.490 3.587 1.00 0.00 H new ATOM 0 HA ILE A 64 6.864 -3.090 5.975 1.00 0.00 H new ATOM 0 HB ILE A 64 5.395 -2.679 3.384 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.784 -1.762 6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.210 -0.740 4.851 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.660 -4.092 4.404 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.188 -4.973 4.167 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.734 -4.401 5.790 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.759 -0.761 5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.171 -1.493 3.629 1.00 0.00 H new ATOM 0 HD13 ILE A 64 2.739 -2.530 5.009 1.00 0.00 H new ATOM 955 N ASN A 65 7.669 -5.204 5.018 1.00 0.00 N ATOM 956 CA ASN A 65 8.358 -6.398 4.558 1.00 0.00 C ATOM 957 C ASN A 65 7.327 -7.468 4.192 1.00 0.00 C ATOM 958 O ASN A 65 6.746 -8.102 5.072 1.00 0.00 O ATOM 959 CB ASN A 65 9.262 -6.968 5.653 1.00 0.00 C ATOM 960 CG ASN A 65 10.708 -7.082 5.166 1.00 0.00 C ATOM 961 OD1 ASN A 65 11.544 -6.230 5.418 1.00 0.00 O ATOM 962 ND2 ASN A 65 10.955 -8.179 4.455 1.00 0.00 N ATOM 0 H ASN A 65 7.220 -5.295 5.929 1.00 0.00 H new ATOM 0 HA ASN A 65 8.965 -6.126 3.694 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.221 -6.327 6.534 1.00 0.00 H new ATOM 0 HB3 ASN A 65 8.898 -7.950 5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.890 -8.347 4.084 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.209 -8.852 4.281 1.00 0.00 H new ATOM 969 N PRO A 66 7.125 -7.640 2.858 1.00 0.00 N ATOM 970 CA PRO A 66 6.175 -8.622 2.365 1.00 0.00 C ATOM 971 C PRO A 66 6.732 -10.040 2.499 1.00 0.00 C ATOM 972 O PRO A 66 6.736 -10.803 1.534 1.00 0.00 O ATOM 973 CB PRO A 66 5.908 -8.222 0.923 1.00 0.00 C ATOM 974 CG PRO A 66 7.062 -7.318 0.522 1.00 0.00 C ATOM 975 CD PRO A 66 7.795 -6.907 1.788 1.00 0.00 C ATOM 0 HA PRO A 66 5.248 -8.635 2.939 1.00 0.00 H new ATOM 0 HB2 PRO A 66 5.856 -9.099 0.278 1.00 0.00 H new ATOM 0 HB3 PRO A 66 4.954 -7.702 0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.737 -7.839 -0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.693 -6.440 -0.007 1.00 0.00 H new ATOM 0 HD2 PRO A 66 8.853 -7.164 1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.736 -5.830 1.948 1.00 0.00 H new ATOM 983 N ALA A 67 7.189 -10.351 3.704 1.00 0.00 N ATOM 984 CA ALA A 67 7.747 -11.664 3.976 1.00 0.00 C ATOM 985 C ALA A 67 6.612 -12.641 4.289 1.00 0.00 C ATOM 986 O ALA A 67 6.775 -13.853 4.150 1.00 0.00 O ATOM 987 CB ALA A 67 8.760 -11.562 5.118 1.00 0.00 C ATOM 0 H ALA A 67 7.184 -9.716 4.502 1.00 0.00 H new ATOM 0 HA ALA A 67 8.277 -12.044 3.103 1.00 0.00 H new ATOM 0 HB1 ALA A 67 9.179 -12.547 5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.561 -10.879 4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.263 -11.187 6.013 1.00 0.00 H new ATOM 993 N GLN A 68 5.488 -12.078 4.706 1.00 0.00 N ATOM 994 CA GLN A 68 4.326 -12.885 5.040 1.00 0.00 C ATOM 995 C GLN A 68 3.171 -12.573 4.085 1.00 0.00 C ATOM 996 O GLN A 68 3.299 -11.720 3.209 1.00 0.00 O ATOM 997 CB GLN A 68 3.907 -12.667 6.495 1.00 0.00 C ATOM 998 CG GLN A 68 4.047 -11.196 6.892 1.00 0.00 C ATOM 999 CD GLN A 68 5.473 -10.886 7.352 1.00 0.00 C ATOM 1000 OE1 GLN A 68 6.132 -11.682 8.000 1.00 0.00 O ATOM 1001 NE2 GLN A 68 5.912 -9.686 6.980 1.00 0.00 N ATOM 0 H GLN A 68 5.357 -11.073 4.820 1.00 0.00 H new ATOM 0 HA GLN A 68 4.593 -13.936 4.926 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.874 -12.987 6.632 1.00 0.00 H new ATOM 0 HB3 GLN A 68 4.521 -13.284 7.150 1.00 0.00 H new ATOM 0 HG2 GLN A 68 3.788 -10.561 6.045 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.344 -10.963 7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 68 5.308 -9.068 6.438 1.00 0.00 H new ATOM 0 HE22 GLN A 68 6.852 -9.385 7.237 1.00 0.00 H new ATOM 1010 N THR A 69 2.071 -13.283 4.287 1.00 0.00 N ATOM 1011 CA THR A 69 0.895 -13.093 3.455 1.00 0.00 C ATOM 1012 C THR A 69 0.316 -11.692 3.662 1.00 0.00 C ATOM 1013 O THR A 69 0.451 -11.113 4.739 1.00 0.00 O ATOM 1014 CB THR A 69 -0.096 -14.214 3.775 1.00 0.00 C ATOM 1015 OG1 THR A 69 -0.434 -13.999 5.142 1.00 0.00 O ATOM 1016 CG2 THR A 69 0.560 -15.596 3.766 1.00 0.00 C ATOM 0 H THR A 69 1.969 -13.991 5.015 1.00 0.00 H new ATOM 0 HA THR A 69 1.145 -13.153 2.396 1.00 0.00 H new ATOM 0 HB THR A 69 -0.911 -14.195 3.052 1.00 0.00 H new ATOM 0 HG1 THR A 69 -1.392 -14.159 5.271 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.187 -16.355 3.999 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.981 -15.792 2.780 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.354 -15.627 4.513 1.00 0.00 H new ATOM 1024 N ALA A 70 -0.318 -11.188 2.614 1.00 0.00 N ATOM 1025 CA ALA A 70 -0.918 -9.866 2.667 1.00 0.00 C ATOM 1026 C ALA A 70 -1.725 -9.728 3.959 1.00 0.00 C ATOM 1027 O ALA A 70 -1.558 -8.761 4.700 1.00 0.00 O ATOM 1028 CB ALA A 70 -1.774 -9.643 1.418 1.00 0.00 C ATOM 0 H ALA A 70 -0.429 -11.671 1.723 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.147 -9.095 2.676 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.224 -8.651 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.148 -9.722 0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -2.560 -10.397 1.376 1.00 0.00 H new ATOM 1034 N GLY A 71 -2.583 -10.711 4.191 1.00 0.00 N ATOM 1035 CA GLY A 71 -3.416 -10.712 5.381 1.00 0.00 C ATOM 1036 C GLY A 71 -2.562 -10.645 6.649 1.00 0.00 C ATOM 1037 O GLY A 71 -3.040 -10.228 7.702 1.00 0.00 O ATOM 0 H GLY A 71 -2.719 -11.512 3.575 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -4.098 -9.862 5.352 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.030 -11.613 5.399 1.00 0.00 H new ATOM 1041 N ASN A 72 -1.313 -11.062 6.505 1.00 0.00 N ATOM 1042 CA ASN A 72 -0.388 -11.055 7.625 1.00 0.00 C ATOM 1043 C ASN A 72 0.444 -9.771 7.585 1.00 0.00 C ATOM 1044 O ASN A 72 1.087 -9.414 8.571 1.00 0.00 O ATOM 1045 CB ASN A 72 0.574 -12.243 7.553 1.00 0.00 C ATOM 1046 CG ASN A 72 0.170 -13.335 8.546 1.00 0.00 C ATOM 1047 OD1 ASN A 72 0.367 -13.223 9.745 1.00 0.00 O ATOM 1048 ND2 ASN A 72 -0.402 -14.395 7.982 1.00 0.00 N ATOM 0 H ASN A 72 -0.920 -11.407 5.629 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.971 -11.118 8.544 1.00 0.00 H new ATOM 0 HB2 ASN A 72 0.580 -12.650 6.542 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.589 -11.908 7.768 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -0.706 -15.179 8.560 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -0.537 -14.424 6.971 1.00 0.00 H new ATOM 1055 N VAL A 73 0.404 -9.113 6.436 1.00 0.00 N ATOM 1056 CA VAL A 73 1.146 -7.877 6.255 1.00 0.00 C ATOM 1057 C VAL A 73 0.238 -6.690 6.585 1.00 0.00 C ATOM 1058 O VAL A 73 0.638 -5.782 7.312 1.00 0.00 O ATOM 1059 CB VAL A 73 1.721 -7.814 4.839 1.00 0.00 C ATOM 1060 CG1 VAL A 73 2.306 -6.431 4.545 1.00 0.00 C ATOM 1061 CG2 VAL A 73 2.767 -8.909 4.623 1.00 0.00 C ATOM 0 H VAL A 73 -0.131 -9.413 5.621 1.00 0.00 H new ATOM 0 HA VAL A 73 1.995 -7.837 6.938 1.00 0.00 H new ATOM 0 HB VAL A 73 0.904 -7.988 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.708 -6.414 3.532 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.524 -5.678 4.638 1.00 0.00 H new ATOM 0 HG13 VAL A 73 3.104 -6.215 5.256 1.00 0.00 H new ATOM 0 HG21 VAL A 73 3.160 -8.842 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.581 -8.781 5.337 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.307 -9.886 4.770 1.00 0.00 H new ATOM 1071 N PHE A 74 -0.966 -6.736 6.035 1.00 0.00 N ATOM 1072 CA PHE A 74 -1.933 -5.676 6.262 1.00 0.00 C ATOM 1073 C PHE A 74 -2.402 -5.663 7.718 1.00 0.00 C ATOM 1074 O PHE A 74 -3.030 -4.704 8.164 1.00 0.00 O ATOM 1075 CB PHE A 74 -3.132 -5.962 5.355 1.00 0.00 C ATOM 1076 CG PHE A 74 -4.307 -6.633 6.071 1.00 0.00 C ATOM 1077 CD1 PHE A 74 -4.123 -7.814 6.720 1.00 0.00 C ATOM 1078 CD2 PHE A 74 -5.535 -6.049 6.058 1.00 0.00 C ATOM 1079 CE1 PHE A 74 -5.213 -8.436 7.384 1.00 0.00 C ATOM 1080 CE2 PHE A 74 -6.624 -6.671 6.721 1.00 0.00 C ATOM 1081 CZ PHE A 74 -6.440 -7.852 7.371 1.00 0.00 C ATOM 0 H PHE A 74 -1.294 -7.491 5.433 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.481 -4.708 6.046 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.474 -5.025 4.916 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.809 -6.600 4.532 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.148 -8.279 6.730 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -5.681 -5.111 5.543 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.067 -9.374 7.900 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.599 -6.207 6.710 1.00 0.00 H new ATOM 0 HZ PHE A 74 -7.269 -8.325 7.876 1.00 0.00 H new ATOM 1091 N LEU A 75 -2.078 -6.739 8.420 1.00 0.00 N ATOM 1092 CA LEU A 75 -2.458 -6.864 9.817 1.00 0.00 C ATOM 1093 C LEU A 75 -1.343 -6.294 10.697 1.00 0.00 C ATOM 1094 O LEU A 75 -1.568 -5.356 11.460 1.00 0.00 O ATOM 1095 CB LEU A 75 -2.821 -8.313 10.146 1.00 0.00 C ATOM 1096 CG LEU A 75 -3.706 -8.520 11.376 1.00 0.00 C ATOM 1097 CD1 LEU A 75 -5.006 -9.235 11.002 1.00 0.00 C ATOM 1098 CD2 LEU A 75 -2.946 -9.255 12.482 1.00 0.00 C ATOM 0 H LEU A 75 -1.556 -7.532 8.047 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.356 -6.281 10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.327 -8.745 9.282 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.898 -8.875 10.289 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.978 -7.540 11.769 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.617 -9.370 11.895 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.554 -8.637 10.274 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -4.774 -10.209 10.570 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.599 -9.389 13.345 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -2.624 -10.230 12.116 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.074 -8.671 12.774 1.00 0.00 H new ATOM 1110 N LYS A 76 -0.165 -6.884 10.560 1.00 0.00 N ATOM 1111 CA LYS A 76 0.985 -6.447 11.333 1.00 0.00 C ATOM 1112 C LYS A 76 1.252 -4.967 11.050 1.00 0.00 C ATOM 1113 O LYS A 76 1.269 -4.149 11.968 1.00 0.00 O ATOM 1114 CB LYS A 76 2.189 -7.352 11.062 1.00 0.00 C ATOM 1115 CG LYS A 76 3.400 -6.533 10.611 1.00 0.00 C ATOM 1116 CD LYS A 76 4.670 -7.386 10.615 1.00 0.00 C ATOM 1117 CE LYS A 76 5.870 -6.579 11.115 1.00 0.00 C ATOM 1118 NZ LYS A 76 7.013 -6.720 10.185 1.00 0.00 N ATOM 0 H LYS A 76 0.018 -7.661 9.925 1.00 0.00 H new ATOM 0 HA LYS A 76 0.782 -6.537 12.400 1.00 0.00 H new ATOM 0 HB2 LYS A 76 2.439 -7.911 11.964 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.934 -8.083 10.295 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.225 -6.139 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.531 -5.676 11.272 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.524 -8.259 11.251 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.869 -7.754 9.608 1.00 0.00 H new ATOM 0 HE2 LYS A 76 5.596 -5.528 11.207 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.158 -6.922 12.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.835 -6.208 10.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 7.251 -7.727 10.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.757 -6.325 9.258 1.00 0.00 H new ATOM 1132 N HIS A 77 1.454 -4.669 9.774 1.00 0.00 N ATOM 1133 CA HIS A 77 1.720 -3.303 9.358 1.00 0.00 C ATOM 1134 C HIS A 77 0.440 -2.473 9.476 1.00 0.00 C ATOM 1135 O HIS A 77 0.458 -1.373 10.026 1.00 0.00 O ATOM 1136 CB HIS A 77 2.320 -3.270 7.952 1.00 0.00 C ATOM 1137 CG HIS A 77 3.683 -3.912 7.850 1.00 0.00 C ATOM 1138 ND1 HIS A 77 4.861 -3.200 8.000 1.00 0.00 N ATOM 1139 CD2 HIS A 77 4.043 -5.207 7.615 1.00 0.00 C ATOM 1140 CE1 HIS A 77 5.877 -4.038 7.857 1.00 0.00 C ATOM 1141 NE2 HIS A 77 5.369 -5.281 7.618 1.00 0.00 N ATOM 0 H HIS A 77 1.439 -5.351 9.015 1.00 0.00 H new ATOM 0 HA HIS A 77 2.464 -2.856 10.018 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.640 -3.775 7.266 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.393 -2.233 7.623 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.365 -6.032 7.454 1.00 0.00 H new ATOM 0 HE1 HIS A 77 6.924 -3.782 7.919 1.00 0.00 H new ATOM 0 HE2 HIS A 77 5.917 -6.128 7.467 1.00 0.00 H new ATOM 1149 N GLY A 78 -0.640 -3.032 8.950 1.00 0.00 N ATOM 1150 CA GLY A 78 -1.926 -2.357 8.990 1.00 0.00 C ATOM 1151 C GLY A 78 -2.494 -2.176 7.580 1.00 0.00 C ATOM 1152 O GLY A 78 -1.747 -2.170 6.603 1.00 0.00 O ATOM 0 H GLY A 78 -0.651 -3.944 8.494 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.625 -2.933 9.596 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.816 -1.384 9.469 1.00 0.00 H new ATOM 1156 N SER A 79 -3.810 -2.034 7.521 1.00 0.00 N ATOM 1157 CA SER A 79 -4.486 -1.853 6.247 1.00 0.00 C ATOM 1158 C SER A 79 -4.319 -0.411 5.766 1.00 0.00 C ATOM 1159 O SER A 79 -3.988 -0.175 4.605 1.00 0.00 O ATOM 1160 CB SER A 79 -5.970 -2.208 6.357 1.00 0.00 C ATOM 1161 OG SER A 79 -6.669 -1.319 7.226 1.00 0.00 O ATOM 0 H SER A 79 -4.426 -2.041 8.334 1.00 0.00 H new ATOM 0 HA SER A 79 -4.032 -2.526 5.520 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.424 -2.179 5.367 1.00 0.00 H new ATOM 0 HB3 SER A 79 -6.072 -3.229 6.724 1.00 0.00 H new ATOM 0 HG SER A 79 -7.613 -1.578 7.268 1.00 0.00 H new ATOM 1167 N GLU A 80 -4.556 0.517 6.682 1.00 0.00 N ATOM 1168 CA GLU A 80 -4.436 1.930 6.365 1.00 0.00 C ATOM 1169 C GLU A 80 -2.963 2.319 6.226 1.00 0.00 C ATOM 1170 O GLU A 80 -2.247 2.419 7.221 1.00 0.00 O ATOM 1171 CB GLU A 80 -5.133 2.789 7.421 1.00 0.00 C ATOM 1172 CG GLU A 80 -6.627 2.469 7.490 1.00 0.00 C ATOM 1173 CD GLU A 80 -7.105 2.392 8.941 1.00 0.00 C ATOM 1174 OE1 GLU A 80 -6.777 1.377 9.594 1.00 0.00 O ATOM 1175 OE2 GLU A 80 -7.788 3.349 9.366 1.00 0.00 O ATOM 0 H GLU A 80 -4.831 0.318 7.644 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.931 2.112 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -4.675 2.616 8.395 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.994 3.844 7.186 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.191 3.235 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.823 1.522 6.988 1.00 0.00 H new ATOM 1182 N LEU A 81 -2.554 2.528 4.983 1.00 0.00 N ATOM 1183 CA LEU A 81 -1.179 2.905 4.701 1.00 0.00 C ATOM 1184 C LEU A 81 -1.162 3.978 3.611 1.00 0.00 C ATOM 1185 O LEU A 81 -2.209 4.345 3.080 1.00 0.00 O ATOM 1186 CB LEU A 81 -0.345 1.668 4.359 1.00 0.00 C ATOM 1187 CG LEU A 81 -0.685 0.394 5.136 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -0.470 -0.849 4.270 1.00 0.00 C ATOM 1189 CD2 LEU A 81 0.103 0.324 6.446 1.00 0.00 C ATOM 0 H LEU A 81 -3.151 2.443 4.160 1.00 0.00 H new ATOM 0 HA LEU A 81 -0.714 3.341 5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.457 1.462 3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 81 0.705 1.904 4.529 1.00 0.00 H new ATOM 0 HG LEU A 81 -1.743 0.425 5.398 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.719 -1.741 4.845 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.111 -0.795 3.390 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.573 -0.898 3.957 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.157 -0.591 6.979 1.00 0.00 H new ATOM 0 HD22 LEU A 81 1.171 0.326 6.229 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.143 1.187 7.065 1.00 0.00 H new ATOM 1201 N ARG A 82 0.038 4.451 3.309 1.00 0.00 N ATOM 1202 CA ARG A 82 0.205 5.475 2.292 1.00 0.00 C ATOM 1203 C ARG A 82 1.179 4.998 1.213 1.00 0.00 C ATOM 1204 O ARG A 82 2.140 4.290 1.509 1.00 0.00 O ATOM 1205 CB ARG A 82 0.729 6.777 2.902 1.00 0.00 C ATOM 1206 CG ARG A 82 -0.365 7.486 3.703 1.00 0.00 C ATOM 1207 CD ARG A 82 0.120 7.822 5.115 1.00 0.00 C ATOM 1208 NE ARG A 82 -1.023 8.244 5.955 1.00 0.00 N ATOM 1209 CZ ARG A 82 -1.545 9.478 5.948 1.00 0.00 C ATOM 1210 NH1 ARG A 82 -1.029 10.419 5.145 1.00 0.00 N ATOM 1211 NH2 ARG A 82 -2.582 9.772 6.744 1.00 0.00 N ATOM 0 H ARG A 82 0.904 4.144 3.751 1.00 0.00 H new ATOM 0 HA ARG A 82 -0.772 5.663 1.847 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.579 6.563 3.550 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.089 7.434 2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -0.662 8.400 3.189 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -1.249 6.851 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 82 0.606 6.953 5.558 1.00 0.00 H new ATOM 0 HD3 ARG A 82 0.865 8.617 5.073 1.00 0.00 H new ATOM 0 HE ARG A 82 -1.439 7.552 6.578 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -0.239 10.196 4.539 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -1.426 11.358 5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -2.974 9.056 7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -2.979 10.712 6.738 1.00 0.00 H new ATOM 1225 N ILE A 83 0.896 5.404 -0.016 1.00 0.00 N ATOM 1226 CA ILE A 83 1.735 5.026 -1.141 1.00 0.00 C ATOM 1227 C ILE A 83 2.726 6.154 -1.434 1.00 0.00 C ATOM 1228 O ILE A 83 2.331 7.233 -1.875 1.00 0.00 O ATOM 1229 CB ILE A 83 0.874 4.636 -2.344 1.00 0.00 C ATOM 1230 CG1 ILE A 83 1.688 3.838 -3.365 1.00 0.00 C ATOM 1231 CG2 ILE A 83 0.217 5.867 -2.971 1.00 0.00 C ATOM 1232 CD1 ILE A 83 0.770 3.061 -4.311 1.00 0.00 C ATOM 0 H ILE A 83 0.098 5.991 -0.258 1.00 0.00 H new ATOM 0 HA ILE A 83 2.322 4.140 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 83 0.072 3.987 -1.993 1.00 0.00 H new ATOM 0 HG12 ILE A 83 2.320 4.514 -3.940 1.00 0.00 H new ATOM 0 HG13 ILE A 83 2.351 3.146 -2.846 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.389 5.561 -3.824 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.417 6.357 -2.232 1.00 0.00 H new ATOM 0 HG23 ILE A 83 0.988 6.561 -3.304 1.00 0.00 H new ATOM 0 HD11 ILE A 83 1.374 2.503 -5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.156 2.368 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.125 3.758 -4.846 1.00 0.00 H new ATOM 1244 N ILE A 84 3.993 5.867 -1.176 1.00 0.00 N ATOM 1245 CA ILE A 84 5.044 6.844 -1.407 1.00 0.00 C ATOM 1246 C ILE A 84 5.894 6.401 -2.599 1.00 0.00 C ATOM 1247 O ILE A 84 5.938 5.217 -2.928 1.00 0.00 O ATOM 1248 CB ILE A 84 5.851 7.075 -0.128 1.00 0.00 C ATOM 1249 CG1 ILE A 84 6.688 5.843 0.223 1.00 0.00 C ATOM 1250 CG2 ILE A 84 4.940 7.496 1.027 1.00 0.00 C ATOM 1251 CD1 ILE A 84 8.149 6.039 -0.186 1.00 0.00 C ATOM 0 H ILE A 84 4.316 4.972 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 84 4.614 7.812 -1.664 1.00 0.00 H new ATOM 0 HB ILE A 84 6.545 7.896 -0.307 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.629 5.652 1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.280 4.966 -0.280 1.00 0.00 H new ATOM 0 HG21 ILE A 84 5.539 7.654 1.924 1.00 0.00 H new ATOM 0 HG22 ILE A 84 4.426 8.421 0.766 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.205 6.713 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.722 5.149 0.074 1.00 0.00 H new ATOM 0 HD12 ILE A 84 8.206 6.206 -1.262 1.00 0.00 H new ATOM 0 HD13 ILE A 84 8.561 6.902 0.337 1.00 0.00 H new ATOM 1263 N PRO A 85 6.565 7.401 -3.230 1.00 0.00 N ATOM 1264 CA PRO A 85 7.412 7.126 -4.378 1.00 0.00 C ATOM 1265 C PRO A 85 8.725 6.470 -3.947 1.00 0.00 C ATOM 1266 O PRO A 85 9.389 6.947 -3.027 1.00 0.00 O ATOM 1267 CB PRO A 85 7.614 8.475 -5.050 1.00 0.00 C ATOM 1268 CG PRO A 85 7.264 9.519 -4.002 1.00 0.00 C ATOM 1269 CD PRO A 85 6.537 8.816 -2.868 1.00 0.00 C ATOM 0 HA PRO A 85 6.963 6.414 -5.071 1.00 0.00 H new ATOM 0 HB2 PRO A 85 8.643 8.592 -5.389 1.00 0.00 H new ATOM 0 HB3 PRO A 85 6.976 8.574 -5.928 1.00 0.00 H new ATOM 0 HG2 PRO A 85 8.166 10.006 -3.633 1.00 0.00 H new ATOM 0 HG3 PRO A 85 6.635 10.297 -4.434 1.00 0.00 H new ATOM 0 HD2 PRO A 85 7.032 8.990 -1.912 1.00 0.00 H new ATOM 0 HD3 PRO A 85 5.514 9.179 -2.768 1.00 0.00 H new ATOM 1277 N ARG A 86 9.061 5.386 -4.631 1.00 0.00 N ATOM 1278 CA ARG A 86 10.283 4.660 -4.330 1.00 0.00 C ATOM 1279 C ARG A 86 11.491 5.384 -4.927 1.00 0.00 C ATOM 1280 O ARG A 86 11.451 5.824 -6.075 1.00 0.00 O ATOM 1281 CB ARG A 86 10.226 3.235 -4.883 1.00 0.00 C ATOM 1282 CG ARG A 86 10.275 2.205 -3.752 1.00 0.00 C ATOM 1283 CD ARG A 86 11.654 1.550 -3.665 1.00 0.00 C ATOM 1284 NE ARG A 86 11.654 0.506 -2.616 1.00 0.00 N ATOM 1285 CZ ARG A 86 11.820 0.754 -1.310 1.00 0.00 C ATOM 1286 NH1 ARG A 86 12.001 2.012 -0.884 1.00 0.00 N ATOM 1287 NH2 ARG A 86 11.806 -0.256 -0.429 1.00 0.00 N ATOM 0 H ARG A 86 8.508 4.993 -5.393 1.00 0.00 H new ATOM 0 HA ARG A 86 10.383 4.613 -3.246 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.312 3.102 -5.461 1.00 0.00 H new ATOM 0 HB3 ARG A 86 11.061 3.072 -5.565 1.00 0.00 H new ATOM 0 HG2 ARG A 86 10.038 2.689 -2.804 1.00 0.00 H new ATOM 0 HG3 ARG A 86 9.516 1.441 -3.918 1.00 0.00 H new ATOM 0 HD2 ARG A 86 11.918 1.110 -4.627 1.00 0.00 H new ATOM 0 HD3 ARG A 86 12.410 2.303 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 86 11.519 -0.463 -2.905 1.00 0.00 H new ATOM 0 HH11 ARG A 86 12.012 2.781 -1.554 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.127 2.200 0.110 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.669 -1.213 -0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 86 11.932 -0.067 0.565 1.00 0.00 H new