USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 825 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 72 HIS : no HD1:sc= 0.416 K(o=1.8,f=-6.2!) USER MOD Set 1.2: B 3 THR OG1 : rot 21:sc= 1.42 USER MOD Single : A 15 CYS SG : rot -87:sc= 1 USER MOD Single : A 16 CYS SG : rot 180:sc= 0.159 USER MOD Single : A 19 LYS NZ :NH3+ -119:sc= 1.24 (180deg=0.0884) USER MOD Single : A 22 ASN : amide:sc= -0.546 K(o=-0.55,f=-3.7!) USER MOD Single : A 24 TYR OH : rot -155:sc= -1.2! USER MOD Single : A 27 HIS : no HD1:sc= -0.0472 X(o=-0.047,f=-0.0075) USER MOD Single : A 29 HIS : no HD1:sc= 1.09 K(o=1.1,f=-5.1!) USER MOD Single : A 32 LYS NZ :NH3+ -166:sc= -0.125 (180deg=-0.466) USER MOD Single : A 34 LYS NZ :NH3+ 163:sc= -0.0536 (180deg=-0.327) USER MOD Single : A 37 GLN : amide:sc= -0.532 K(o=-0.53,f=-3.2!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -88:sc= 1.13 USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= 1.12 (180deg=1.03) USER MOD Single : A 63 ASN : amide:sc= 0.919 K(o=0.92,f=-4.8!) USER MOD Single : A 66 ASN : amide:sc= 1.09 K(o=1.1,f=-0.93) USER MOD Single : A 69 LYS NZ :NH3+ 173:sc= 0.821 (180deg=0.594) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.45 USER MOD Single : A 73 GLN : amide:sc= -0.0362 X(o=-0.036,f=-0.11) USER MOD Single : A 74 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.43) USER MOD Single : A 77 SER OG : rot 73:sc= 1.26 USER MOD Single : A 84 ASN : amide:sc= -0.0127 X(o=-0.013,f=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.073 X(o=-0.073,f=-0.46) USER MOD Single : A 100 GLN :FLIP amide:sc= -0.109 F(o=-1.3,f=-0.11) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= -0.597 X(o=-0.6,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 106 N LEU A 11 -11.732 -5.965 -3.710 1.00 0.00 N ATOM 107 CA LEU A 11 -10.445 -5.380 -4.054 1.00 0.00 C ATOM 108 C LEU A 11 -10.460 -3.881 -3.800 1.00 0.00 C ATOM 109 O LEU A 11 -10.823 -3.098 -4.677 1.00 0.00 O ATOM 110 CB LEU A 11 -10.059 -5.650 -5.516 1.00 0.00 C ATOM 111 CG LEU A 11 -9.582 -7.074 -5.850 1.00 0.00 C ATOM 112 CD1 LEU A 11 -8.515 -7.533 -4.868 1.00 0.00 C ATOM 113 CD2 LEU A 11 -10.748 -8.051 -5.884 1.00 0.00 C ATOM 0 HA LEU A 11 -9.698 -5.854 -3.417 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.921 -5.423 -6.144 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.270 -4.952 -5.795 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.138 -7.052 -6.845 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -8.194 -8.542 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.661 -6.857 -4.916 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.924 -7.529 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.380 -9.049 -6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.237 -8.068 -4.910 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.464 -7.737 -6.644 1.00 0.00 H new ATOM 125 N PRO A 12 -10.085 -3.463 -2.586 1.00 0.00 N ATOM 126 CA PRO A 12 -9.933 -2.052 -2.263 1.00 0.00 C ATOM 127 C PRO A 12 -8.634 -1.513 -2.849 1.00 0.00 C ATOM 128 O PRO A 12 -7.548 -2.009 -2.543 1.00 0.00 O ATOM 129 CB PRO A 12 -9.902 -2.039 -0.737 1.00 0.00 C ATOM 130 CG PRO A 12 -9.345 -3.369 -0.357 1.00 0.00 C ATOM 131 CD PRO A 12 -9.766 -4.333 -1.437 1.00 0.00 C ATOM 0 HA PRO A 12 -10.727 -1.425 -2.669 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -9.280 -1.227 -0.361 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -10.900 -1.895 -0.322 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -8.259 -3.326 -0.277 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.724 -3.685 0.615 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.969 -5.036 -1.678 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -10.630 -4.923 -1.131 1.00 0.00 H new ATOM 139 N ARG A 13 -8.742 -0.515 -3.705 1.00 0.00 N ATOM 140 CA ARG A 13 -7.583 -0.034 -4.430 1.00 0.00 C ATOM 141 C ARG A 13 -6.829 1.013 -3.628 1.00 0.00 C ATOM 142 O ARG A 13 -7.417 1.975 -3.117 1.00 0.00 O ATOM 143 CB ARG A 13 -7.992 0.524 -5.795 1.00 0.00 C ATOM 144 CG ARG A 13 -9.025 1.640 -5.728 1.00 0.00 C ATOM 145 CD ARG A 13 -9.362 2.162 -7.114 1.00 0.00 C ATOM 146 NE ARG A 13 -8.178 2.667 -7.810 1.00 0.00 N ATOM 147 CZ ARG A 13 -7.716 2.161 -8.951 1.00 0.00 C ATOM 148 NH1 ARG A 13 -8.356 1.161 -9.548 1.00 0.00 N ATOM 149 NH2 ARG A 13 -6.619 2.665 -9.506 1.00 0.00 N ATOM 0 H ARG A 13 -9.612 -0.026 -3.914 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.914 -0.880 -4.590 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -7.103 0.897 -6.304 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.390 -0.289 -6.403 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -9.930 1.272 -5.245 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.644 2.455 -5.113 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.816 1.364 -7.702 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.102 2.958 -7.032 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.677 3.453 -7.396 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -9.205 0.778 -9.132 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.998 0.776 -10.422 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -6.131 3.440 -9.058 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -6.265 2.277 -10.380 1.00 0.00 H new ATOM 163 N LEU A 14 -5.528 0.812 -3.507 1.00 0.00 N ATOM 164 CA LEU A 14 -4.671 1.765 -2.833 1.00 0.00 C ATOM 165 C LEU A 14 -4.161 2.776 -3.846 1.00 0.00 C ATOM 166 O LEU A 14 -3.287 2.475 -4.663 1.00 0.00 O ATOM 167 CB LEU A 14 -3.500 1.055 -2.150 1.00 0.00 C ATOM 168 CG LEU A 14 -2.660 1.929 -1.216 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.508 2.436 -0.058 1.00 0.00 C ATOM 170 CD2 LEU A 14 -1.461 1.148 -0.700 1.00 0.00 C ATOM 0 H LEU A 14 -5.042 -0.008 -3.870 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.244 2.279 -2.061 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.890 0.213 -1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.847 0.643 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.296 2.790 -1.777 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.896 3.056 0.597 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.338 3.027 -0.446 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.899 1.589 0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.872 1.782 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.806 0.271 -0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.844 0.831 -1.541 1.00 0.00 H new ATOM 182 N CYS A 15 -4.722 3.965 -3.802 1.00 0.00 N ATOM 183 CA CYS A 15 -4.398 4.996 -4.765 1.00 0.00 C ATOM 184 C CYS A 15 -3.302 5.907 -4.234 1.00 0.00 C ATOM 185 O CYS A 15 -3.500 6.637 -3.266 1.00 0.00 O ATOM 186 CB CYS A 15 -5.658 5.803 -5.088 1.00 0.00 C ATOM 187 SG CYS A 15 -6.962 4.834 -5.880 1.00 0.00 S ATOM 0 H CYS A 15 -5.411 4.243 -3.103 1.00 0.00 H new ATOM 0 HA CYS A 15 -4.028 4.526 -5.676 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -6.048 6.235 -4.166 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -5.389 6.634 -5.740 1.00 0.00 H new ATOM 0 HG CYS A 15 -6.775 4.825 -7.167 1.00 0.00 H new ATOM 193 N CYS A 16 -2.137 5.839 -4.855 1.00 0.00 N ATOM 194 CA CYS A 16 -1.029 6.701 -4.485 1.00 0.00 C ATOM 195 C CYS A 16 -1.091 8.012 -5.256 1.00 0.00 C ATOM 196 O CYS A 16 -0.911 8.035 -6.473 1.00 0.00 O ATOM 197 CB CYS A 16 0.303 5.989 -4.731 1.00 0.00 C ATOM 198 SG CYS A 16 0.376 5.082 -6.294 1.00 0.00 S ATOM 0 H CYS A 16 -1.934 5.194 -5.619 1.00 0.00 H new ATOM 0 HA CYS A 16 -1.106 6.929 -3.422 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.106 6.726 -4.713 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.489 5.295 -3.911 1.00 0.00 H new ATOM 0 HG CYS A 16 1.540 4.516 -6.413 1.00 0.00 H new ATOM 204 N LEU A 17 -1.378 9.090 -4.544 1.00 0.00 N ATOM 205 CA LEU A 17 -1.446 10.411 -5.145 1.00 0.00 C ATOM 206 C LEU A 17 -0.164 11.179 -4.856 1.00 0.00 C ATOM 207 O LEU A 17 0.227 11.334 -3.695 1.00 0.00 O ATOM 208 CB LEU A 17 -2.651 11.200 -4.611 1.00 0.00 C ATOM 209 CG LEU A 17 -4.035 10.685 -5.028 1.00 0.00 C ATOM 210 CD1 LEU A 17 -4.429 9.451 -4.240 1.00 0.00 C ATOM 211 CD2 LEU A 17 -5.077 11.773 -4.853 1.00 0.00 C ATOM 0 H LEU A 17 -1.569 9.074 -3.542 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.564 10.288 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -2.601 11.206 -3.522 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.557 12.235 -4.940 1.00 0.00 H new ATOM 0 HG LEU A 17 -3.983 10.407 -6.081 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.414 9.113 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -3.700 8.660 -4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -4.456 9.691 -3.177 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.054 11.393 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.112 12.079 -3.807 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -4.815 12.630 -5.473 1.00 0.00 H new ATOM 223 N GLU A 18 0.501 11.631 -5.905 1.00 0.00 N ATOM 224 CA GLU A 18 1.723 12.412 -5.748 1.00 0.00 C ATOM 225 C GLU A 18 1.385 13.847 -5.363 1.00 0.00 C ATOM 226 O GLU A 18 0.380 14.399 -5.812 1.00 0.00 O ATOM 227 CB GLU A 18 2.550 12.429 -7.039 1.00 0.00 C ATOM 228 CG GLU A 18 2.587 11.109 -7.786 1.00 0.00 C ATOM 229 CD GLU A 18 1.488 11.010 -8.823 1.00 0.00 C ATOM 230 OE1 GLU A 18 1.718 11.437 -9.974 1.00 0.00 O ATOM 231 OE2 GLU A 18 0.392 10.527 -8.488 1.00 0.00 O ATOM 0 H GLU A 18 0.220 11.473 -6.873 1.00 0.00 H new ATOM 0 HA GLU A 18 2.311 11.940 -4.961 1.00 0.00 H new ATOM 0 HB2 GLU A 18 2.148 13.195 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 18 3.571 12.722 -6.796 1.00 0.00 H new ATOM 0 HG2 GLU A 18 3.556 10.996 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 18 2.489 10.288 -7.076 1.00 0.00 H new ATOM 238 N LYS A 19 2.222 14.450 -4.526 1.00 0.00 N ATOM 239 CA LYS A 19 2.054 15.849 -4.176 1.00 0.00 C ATOM 240 C LYS A 19 2.464 16.724 -5.353 1.00 0.00 C ATOM 241 O LYS A 19 3.635 16.758 -5.737 1.00 0.00 O ATOM 242 CB LYS A 19 2.879 16.205 -2.933 1.00 0.00 C ATOM 243 CG LYS A 19 2.839 17.687 -2.573 1.00 0.00 C ATOM 244 CD LYS A 19 1.429 18.163 -2.266 1.00 0.00 C ATOM 245 CE LYS A 19 0.861 17.486 -1.034 1.00 0.00 C ATOM 246 NZ LYS A 19 1.559 17.906 0.211 1.00 0.00 N ATOM 0 H LYS A 19 3.018 13.992 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 19 1.004 16.028 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.512 15.625 -2.086 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.915 15.908 -3.098 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.478 17.867 -1.709 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.247 18.271 -3.398 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.434 19.243 -2.117 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.784 17.962 -3.121 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.200 17.720 -0.950 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.941 16.405 -1.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.997 17.077 0.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.295 18.603 -0.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.873 18.333 0.866 1.00 0.00 H new ATOM 260 N GLY A 20 1.489 17.406 -5.929 1.00 0.00 N ATOM 261 CA GLY A 20 1.753 18.289 -7.043 1.00 0.00 C ATOM 262 C GLY A 20 2.025 19.708 -6.588 1.00 0.00 C ATOM 263 O GLY A 20 2.749 19.915 -5.612 1.00 0.00 O ATOM 0 H GLY A 20 0.511 17.363 -5.642 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.610 17.918 -7.605 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.900 18.283 -7.721 1.00 0.00 H new ATOM 267 N PRO A 21 1.434 20.707 -7.262 1.00 0.00 N ATOM 268 CA PRO A 21 1.657 22.127 -6.957 1.00 0.00 C ATOM 269 C PRO A 21 1.326 22.484 -5.508 1.00 0.00 C ATOM 270 O PRO A 21 2.188 22.953 -4.763 1.00 0.00 O ATOM 271 CB PRO A 21 0.706 22.859 -7.912 1.00 0.00 C ATOM 272 CG PRO A 21 0.449 21.892 -9.016 1.00 0.00 C ATOM 273 CD PRO A 21 0.498 20.530 -8.388 1.00 0.00 C ATOM 0 HA PRO A 21 2.705 22.398 -7.082 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -0.220 23.139 -7.409 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.155 23.778 -8.289 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -0.521 22.075 -9.478 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.199 21.987 -9.801 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.486 20.209 -8.046 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.853 19.776 -9.091 1.00 0.00 H new ATOM 281 N ASN A 22 0.081 22.253 -5.110 1.00 0.00 N ATOM 282 CA ASN A 22 -0.363 22.597 -3.763 1.00 0.00 C ATOM 283 C ASN A 22 -1.269 21.515 -3.190 1.00 0.00 C ATOM 284 O ASN A 22 -2.073 21.780 -2.297 1.00 0.00 O ATOM 285 CB ASN A 22 -1.088 23.953 -3.755 1.00 0.00 C ATOM 286 CG ASN A 22 -2.317 24.006 -4.660 1.00 0.00 C ATOM 287 OD1 ASN A 22 -3.010 23.010 -4.874 1.00 0.00 O ATOM 288 ND2 ASN A 22 -2.595 25.180 -5.195 1.00 0.00 N ATOM 0 H ASN A 22 -0.638 21.830 -5.698 1.00 0.00 H new ATOM 0 HA ASN A 22 0.523 22.672 -3.133 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.391 24.185 -2.734 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.388 24.729 -4.064 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.405 25.283 -5.807 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -2.000 25.984 -4.997 1.00 0.00 H new ATOM 295 N GLY A 23 -1.127 20.296 -3.689 1.00 0.00 N ATOM 296 CA GLY A 23 -1.992 19.224 -3.248 1.00 0.00 C ATOM 297 C GLY A 23 -2.052 18.078 -4.230 1.00 0.00 C ATOM 298 O GLY A 23 -1.040 17.716 -4.830 1.00 0.00 O ATOM 0 H GLY A 23 -0.432 20.032 -4.387 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.641 18.853 -2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.997 19.615 -3.092 1.00 0.00 H new ATOM 302 N TYR A 24 -3.238 17.510 -4.395 1.00 0.00 N ATOM 303 CA TYR A 24 -3.415 16.327 -5.226 1.00 0.00 C ATOM 304 C TYR A 24 -4.475 16.567 -6.290 1.00 0.00 C ATOM 305 O TYR A 24 -4.492 15.897 -7.321 1.00 0.00 O ATOM 306 CB TYR A 24 -3.791 15.134 -4.349 1.00 0.00 C ATOM 307 CG TYR A 24 -2.859 14.973 -3.177 1.00 0.00 C ATOM 308 CD1 TYR A 24 -1.602 14.412 -3.341 1.00 0.00 C ATOM 309 CD2 TYR A 24 -3.220 15.422 -1.914 1.00 0.00 C ATOM 310 CE1 TYR A 24 -0.731 14.297 -2.279 1.00 0.00 C ATOM 311 CE2 TYR A 24 -2.357 15.305 -0.846 1.00 0.00 C ATOM 312 CZ TYR A 24 -1.114 14.744 -1.035 1.00 0.00 C ATOM 313 OH TYR A 24 -0.246 14.643 0.023 1.00 0.00 O ATOM 0 H TYR A 24 -4.096 17.851 -3.962 1.00 0.00 H new ATOM 0 HA TYR A 24 -2.476 16.111 -5.735 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.811 15.260 -3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -3.777 14.225 -4.950 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -1.300 14.059 -4.316 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.192 15.870 -1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 24 0.246 13.859 -2.422 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -2.654 15.651 0.133 1.00 0.00 H new ATOM 0 HH TYR A 24 -0.753 14.615 0.861 1.00 0.00 H new ATOM 323 N GLY A 25 -5.363 17.512 -6.029 1.00 0.00 N ATOM 324 CA GLY A 25 -6.299 17.940 -7.045 1.00 0.00 C ATOM 325 C GLY A 25 -7.679 17.326 -6.911 1.00 0.00 C ATOM 326 O GLY A 25 -8.387 17.171 -7.906 1.00 0.00 O ATOM 0 H GLY A 25 -5.452 17.990 -5.132 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.390 19.025 -7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.895 17.689 -8.026 1.00 0.00 H new ATOM 330 N PHE A 26 -8.081 16.983 -5.696 1.00 0.00 N ATOM 331 CA PHE A 26 -9.430 16.480 -5.478 1.00 0.00 C ATOM 332 C PHE A 26 -10.058 17.171 -4.279 1.00 0.00 C ATOM 333 O PHE A 26 -9.358 17.670 -3.401 1.00 0.00 O ATOM 334 CB PHE A 26 -9.442 14.954 -5.299 1.00 0.00 C ATOM 335 CG PHE A 26 -8.839 14.455 -4.015 1.00 0.00 C ATOM 336 CD1 PHE A 26 -7.465 14.357 -3.869 1.00 0.00 C ATOM 337 CD2 PHE A 26 -9.650 14.069 -2.959 1.00 0.00 C ATOM 338 CE1 PHE A 26 -6.914 13.886 -2.694 1.00 0.00 C ATOM 339 CE2 PHE A 26 -9.103 13.595 -1.784 1.00 0.00 C ATOM 340 CZ PHE A 26 -7.733 13.503 -1.651 1.00 0.00 C ATOM 0 H PHE A 26 -7.503 17.042 -4.858 1.00 0.00 H new ATOM 0 HA PHE A 26 -10.023 16.706 -6.364 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -10.473 14.606 -5.357 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.906 14.502 -6.133 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -6.818 14.652 -4.682 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -10.723 14.140 -3.057 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.841 13.817 -2.591 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -9.747 13.296 -0.970 1.00 0.00 H new ATOM 0 HZ PHE A 26 -7.302 13.132 -0.733 1.00 0.00 H new ATOM 350 N HIS A 27 -11.377 17.228 -4.260 1.00 0.00 N ATOM 351 CA HIS A 27 -12.089 17.881 -3.171 1.00 0.00 C ATOM 352 C HIS A 27 -12.732 16.835 -2.274 1.00 0.00 C ATOM 353 O HIS A 27 -13.482 15.983 -2.745 1.00 0.00 O ATOM 354 CB HIS A 27 -13.150 18.850 -3.712 1.00 0.00 C ATOM 355 CG HIS A 27 -12.581 20.031 -4.443 1.00 0.00 C ATOM 356 ND1 HIS A 27 -12.776 21.335 -4.043 1.00 0.00 N ATOM 357 CD2 HIS A 27 -11.826 20.095 -5.568 1.00 0.00 C ATOM 358 CE1 HIS A 27 -12.166 22.149 -4.888 1.00 0.00 C ATOM 359 NE2 HIS A 27 -11.582 21.420 -5.822 1.00 0.00 N ATOM 0 H HIS A 27 -11.978 16.832 -4.983 1.00 0.00 H new ATOM 0 HA HIS A 27 -11.374 18.460 -2.587 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -13.816 18.307 -4.383 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -13.758 19.208 -2.881 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -11.481 19.257 -6.155 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.148 23.227 -4.825 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.038 21.784 -6.605 1.00 0.00 H new ATOM 368 N LEU A 28 -12.430 16.901 -0.990 1.00 0.00 N ATOM 369 CA LEU A 28 -12.926 15.926 -0.037 1.00 0.00 C ATOM 370 C LEU A 28 -14.121 16.496 0.716 1.00 0.00 C ATOM 371 O LEU A 28 -14.051 17.590 1.284 1.00 0.00 O ATOM 372 CB LEU A 28 -11.800 15.530 0.935 1.00 0.00 C ATOM 373 CG LEU A 28 -11.995 14.231 1.735 1.00 0.00 C ATOM 374 CD1 LEU A 28 -13.009 14.407 2.853 1.00 0.00 C ATOM 375 CD2 LEU A 28 -12.412 13.095 0.816 1.00 0.00 C ATOM 0 H LEU A 28 -11.839 17.625 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 28 -13.253 15.032 -0.568 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.875 15.441 0.365 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.661 16.347 1.643 1.00 0.00 H new ATOM 0 HG LEU A 28 -11.038 13.981 2.192 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.119 13.468 3.395 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.665 15.183 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -13.971 14.697 2.430 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -12.545 12.184 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -13.350 13.351 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -11.640 12.934 0.064 1.00 0.00 H new ATOM 387 N HIS A 29 -15.215 15.757 0.707 1.00 0.00 N ATOM 388 CA HIS A 29 -16.403 16.129 1.453 1.00 0.00 C ATOM 389 C HIS A 29 -16.568 15.200 2.643 1.00 0.00 C ATOM 390 O HIS A 29 -16.476 13.981 2.503 1.00 0.00 O ATOM 391 CB HIS A 29 -17.648 16.069 0.553 1.00 0.00 C ATOM 392 CG HIS A 29 -18.950 16.073 1.303 1.00 0.00 C ATOM 393 ND1 HIS A 29 -19.598 17.222 1.696 1.00 0.00 N ATOM 394 CD2 HIS A 29 -19.714 15.044 1.741 1.00 0.00 C ATOM 395 CE1 HIS A 29 -20.699 16.898 2.353 1.00 0.00 C ATOM 396 NE2 HIS A 29 -20.790 15.581 2.392 1.00 0.00 N ATOM 0 H HIS A 29 -15.305 14.886 0.185 1.00 0.00 H new ATOM 0 HA HIS A 29 -16.290 17.153 1.810 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -17.631 16.920 -0.128 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -17.597 15.169 -0.059 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -19.511 13.992 1.602 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -21.404 17.593 2.785 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -21.540 15.051 2.835 1.00 0.00 H new ATOM 405 N GLY A 30 -16.814 15.776 3.805 1.00 0.00 N ATOM 406 CA GLY A 30 -17.030 14.978 4.986 1.00 0.00 C ATOM 407 C GLY A 30 -18.404 15.205 5.568 1.00 0.00 C ATOM 408 O GLY A 30 -18.971 16.292 5.429 1.00 0.00 O ATOM 0 H GLY A 30 -16.868 16.784 3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -16.909 13.923 4.740 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -16.274 15.220 5.733 1.00 0.00 H new ATOM 412 N GLU A 31 -18.949 14.180 6.195 1.00 0.00 N ATOM 413 CA GLU A 31 -20.227 14.292 6.872 1.00 0.00 C ATOM 414 C GLU A 31 -20.037 14.891 8.258 1.00 0.00 C ATOM 415 O GLU A 31 -18.933 14.880 8.808 1.00 0.00 O ATOM 416 CB GLU A 31 -20.907 12.927 6.964 1.00 0.00 C ATOM 417 CG GLU A 31 -21.431 12.426 5.629 1.00 0.00 C ATOM 418 CD GLU A 31 -22.407 13.396 4.996 1.00 0.00 C ATOM 419 OE1 GLU A 31 -23.476 13.647 5.590 1.00 0.00 O ATOM 420 OE2 GLU A 31 -22.105 13.936 3.913 1.00 0.00 O ATOM 0 H GLU A 31 -18.523 13.255 6.250 1.00 0.00 H new ATOM 0 HA GLU A 31 -20.871 14.954 6.293 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -20.198 12.202 7.364 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -21.734 12.988 7.672 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -20.594 12.261 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -21.920 11.462 5.771 1.00 0.00 H new ATOM 427 N LYS A 32 -21.115 15.420 8.815 1.00 0.00 N ATOM 428 CA LYS A 32 -21.059 16.114 10.092 1.00 0.00 C ATOM 429 C LYS A 32 -21.111 15.127 11.252 1.00 0.00 C ATOM 430 O LYS A 32 -21.984 15.205 12.118 1.00 0.00 O ATOM 431 CB LYS A 32 -22.195 17.139 10.196 1.00 0.00 C ATOM 432 CG LYS A 32 -21.906 18.456 9.487 1.00 0.00 C ATOM 433 CD LYS A 32 -21.752 18.299 7.977 1.00 0.00 C ATOM 434 CE LYS A 32 -23.054 18.566 7.231 1.00 0.00 C ATOM 435 NZ LYS A 32 -24.114 17.564 7.532 1.00 0.00 N ATOM 0 H LYS A 32 -22.046 15.381 8.399 1.00 0.00 H new ATOM 0 HA LYS A 32 -20.110 16.647 10.149 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -23.103 16.704 9.778 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -22.394 17.341 11.249 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -22.714 19.158 9.693 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -20.994 18.890 9.896 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -20.984 18.985 7.619 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -21.408 17.289 7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -23.418 19.560 7.491 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -22.858 18.568 6.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -24.880 17.649 6.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -23.710 16.607 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -24.493 17.735 8.485 1.00 0.00 H new ATOM 449 N GLY A 33 -20.166 14.203 11.252 1.00 0.00 N ATOM 450 CA GLY A 33 -20.064 13.220 12.308 1.00 0.00 C ATOM 451 C GLY A 33 -18.717 12.530 12.286 1.00 0.00 C ATOM 452 O GLY A 33 -17.708 13.116 12.678 1.00 0.00 O ATOM 0 H GLY A 33 -19.455 14.116 10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -20.212 13.703 13.274 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -20.856 12.480 12.197 1.00 0.00 H new ATOM 456 N LYS A 34 -18.699 11.289 11.816 1.00 0.00 N ATOM 457 CA LYS A 34 -17.454 10.545 11.661 1.00 0.00 C ATOM 458 C LYS A 34 -17.418 9.878 10.294 1.00 0.00 C ATOM 459 O LYS A 34 -16.622 10.236 9.426 1.00 0.00 O ATOM 460 CB LYS A 34 -17.310 9.469 12.742 1.00 0.00 C ATOM 461 CG LYS A 34 -17.505 9.970 14.162 1.00 0.00 C ATOM 462 CD LYS A 34 -17.227 8.865 15.166 1.00 0.00 C ATOM 463 CE LYS A 34 -17.635 9.259 16.576 1.00 0.00 C ATOM 464 NZ LYS A 34 -19.103 9.457 16.692 1.00 0.00 N ATOM 0 H LYS A 34 -19.534 10.775 11.535 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.630 11.251 11.758 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -18.034 8.678 12.547 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -16.319 9.022 12.661 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -16.841 10.814 14.349 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.525 10.334 14.287 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.765 7.964 14.872 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.165 8.621 15.151 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -17.316 8.486 17.276 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.121 10.177 16.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -19.378 9.438 17.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.363 10.375 16.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -19.597 8.696 16.184 1.00 0.00 H new ATOM 478 N LEU A 35 -18.309 8.910 10.113 1.00 0.00 N ATOM 479 CA LEU A 35 -18.382 8.153 8.877 1.00 0.00 C ATOM 480 C LEU A 35 -18.918 9.021 7.756 1.00 0.00 C ATOM 481 O LEU A 35 -20.018 9.565 7.857 1.00 0.00 O ATOM 482 CB LEU A 35 -19.298 6.938 9.034 1.00 0.00 C ATOM 483 CG LEU A 35 -18.952 5.983 10.175 1.00 0.00 C ATOM 484 CD1 LEU A 35 -19.936 4.825 10.194 1.00 0.00 C ATOM 485 CD2 LEU A 35 -17.528 5.468 10.035 1.00 0.00 C ATOM 0 H LEU A 35 -18.995 8.632 10.815 1.00 0.00 H new ATOM 0 HA LEU A 35 -17.373 7.817 8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -20.318 7.293 9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -19.287 6.376 8.100 1.00 0.00 H new ATOM 0 HG LEU A 35 -19.023 6.525 11.118 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -19.684 4.147 11.010 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -20.946 5.208 10.339 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -19.884 4.288 9.247 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -17.304 4.790 10.858 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -17.425 4.937 9.089 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -16.834 6.308 10.057 1.00 0.00 H new ATOM 497 N GLY A 36 -18.144 9.155 6.699 1.00 0.00 N ATOM 498 CA GLY A 36 -18.630 9.853 5.534 1.00 0.00 C ATOM 499 C GLY A 36 -17.596 10.760 4.911 1.00 0.00 C ATOM 500 O GLY A 36 -17.761 11.976 4.900 1.00 0.00 O ATOM 0 H GLY A 36 -17.192 8.796 6.625 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -18.959 9.125 4.793 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -19.503 10.444 5.810 1.00 0.00 H new ATOM 504 N GLN A 37 -16.525 10.173 4.399 1.00 0.00 N ATOM 505 CA GLN A 37 -15.546 10.930 3.640 1.00 0.00 C ATOM 506 C GLN A 37 -15.663 10.531 2.174 1.00 0.00 C ATOM 507 O GLN A 37 -15.411 9.378 1.815 1.00 0.00 O ATOM 508 CB GLN A 37 -14.128 10.657 4.156 1.00 0.00 C ATOM 509 CG GLN A 37 -14.001 10.704 5.674 1.00 0.00 C ATOM 510 CD GLN A 37 -14.442 12.027 6.283 1.00 0.00 C ATOM 511 OE1 GLN A 37 -14.319 13.093 5.671 1.00 0.00 O ATOM 512 NE2 GLN A 37 -14.962 11.965 7.501 1.00 0.00 N ATOM 0 H GLN A 37 -16.314 9.180 4.495 1.00 0.00 H new ATOM 0 HA GLN A 37 -15.739 11.997 3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -13.807 9.676 3.805 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.447 11.389 3.722 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -14.597 9.899 6.105 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.963 10.515 5.949 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -15.047 11.065 7.974 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -15.277 12.817 7.965 1.00 0.00 H new ATOM 521 N TYR A 38 -16.052 11.476 1.331 1.00 0.00 N ATOM 522 CA TYR A 38 -16.318 11.183 -0.072 1.00 0.00 C ATOM 523 C TYR A 38 -15.670 12.214 -0.978 1.00 0.00 C ATOM 524 O TYR A 38 -15.504 13.375 -0.601 1.00 0.00 O ATOM 525 CB TYR A 38 -17.825 11.145 -0.339 1.00 0.00 C ATOM 526 CG TYR A 38 -18.545 10.023 0.373 1.00 0.00 C ATOM 527 CD1 TYR A 38 -18.591 8.745 -0.172 1.00 0.00 C ATOM 528 CD2 TYR A 38 -19.181 10.242 1.587 1.00 0.00 C ATOM 529 CE1 TYR A 38 -19.249 7.718 0.475 1.00 0.00 C ATOM 530 CE2 TYR A 38 -19.840 9.220 2.242 1.00 0.00 C ATOM 531 CZ TYR A 38 -19.871 7.961 1.681 1.00 0.00 C ATOM 532 OH TYR A 38 -20.529 6.941 2.330 1.00 0.00 O ATOM 0 H TYR A 38 -16.191 12.452 1.593 1.00 0.00 H new ATOM 0 HA TYR A 38 -15.889 10.205 -0.291 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -18.262 12.096 -0.034 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -17.992 11.047 -1.412 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -18.104 8.552 -1.117 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -19.160 11.228 2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -19.276 6.730 0.039 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -20.328 9.406 3.187 1.00 0.00 H new ATOM 0 HH TYR A 38 -20.912 7.279 3.167 1.00 0.00 H new ATOM 542 N ILE A 39 -15.308 11.780 -2.172 1.00 0.00 N ATOM 543 CA ILE A 39 -14.675 12.652 -3.143 1.00 0.00 C ATOM 544 C ILE A 39 -15.733 13.442 -3.904 1.00 0.00 C ATOM 545 O ILE A 39 -16.711 12.878 -4.394 1.00 0.00 O ATOM 546 CB ILE A 39 -13.824 11.845 -4.147 1.00 0.00 C ATOM 547 CG1 ILE A 39 -12.955 10.814 -3.416 1.00 0.00 C ATOM 548 CG2 ILE A 39 -12.954 12.774 -4.984 1.00 0.00 C ATOM 549 CD1 ILE A 39 -12.024 11.407 -2.381 1.00 0.00 C ATOM 0 H ILE A 39 -15.443 10.821 -2.493 1.00 0.00 H new ATOM 0 HA ILE A 39 -14.021 13.335 -2.601 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.502 11.313 -4.814 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.606 10.088 -2.929 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -12.363 10.269 -4.151 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -12.362 12.185 -5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -13.589 13.467 -5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -12.288 13.336 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.447 10.610 -1.912 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -11.346 12.111 -2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -12.608 11.927 -1.622 1.00 0.00 H new ATOM 561 N ARG A 40 -15.539 14.751 -3.972 1.00 0.00 N ATOM 562 CA ARG A 40 -16.452 15.629 -4.687 1.00 0.00 C ATOM 563 C ARG A 40 -16.120 15.697 -6.168 1.00 0.00 C ATOM 564 O ARG A 40 -16.978 15.475 -7.019 1.00 0.00 O ATOM 565 CB ARG A 40 -16.401 17.040 -4.103 1.00 0.00 C ATOM 566 CG ARG A 40 -17.211 17.212 -2.838 1.00 0.00 C ATOM 567 CD ARG A 40 -18.666 16.868 -3.079 1.00 0.00 C ATOM 568 NE ARG A 40 -19.542 17.444 -2.066 1.00 0.00 N ATOM 569 CZ ARG A 40 -20.763 16.993 -1.799 1.00 0.00 C ATOM 570 NH1 ARG A 40 -21.195 15.877 -2.372 1.00 0.00 N ATOM 571 NH2 ARG A 40 -21.535 17.643 -0.936 1.00 0.00 N ATOM 0 H ARG A 40 -14.751 15.231 -3.537 1.00 0.00 H new ATOM 0 HA ARG A 40 -17.453 15.214 -4.572 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -15.363 17.299 -3.895 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -16.762 17.745 -4.852 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.807 16.573 -2.053 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.129 18.240 -2.486 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.965 17.229 -4.063 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -18.785 15.785 -3.087 1.00 0.00 H new ATOM 0 HE ARG A 40 -19.197 18.241 -1.530 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -20.590 15.367 -3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.132 15.529 -2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -21.190 18.487 -0.479 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -22.473 17.298 -0.730 1.00 0.00 H new ATOM 585 N LEU A 41 -14.872 16.011 -6.470 1.00 0.00 N ATOM 586 CA LEU A 41 -14.460 16.230 -7.844 1.00 0.00 C ATOM 587 C LEU A 41 -12.969 15.984 -7.989 1.00 0.00 C ATOM 588 O LEU A 41 -12.198 16.249 -7.063 1.00 0.00 O ATOM 589 CB LEU A 41 -14.798 17.664 -8.268 1.00 0.00 C ATOM 590 CG LEU A 41 -14.505 18.008 -9.731 1.00 0.00 C ATOM 591 CD1 LEU A 41 -15.372 17.172 -10.662 1.00 0.00 C ATOM 592 CD2 LEU A 41 -14.728 19.492 -9.982 1.00 0.00 C ATOM 0 H LEU A 41 -14.127 16.120 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 41 -14.995 15.533 -8.488 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.857 17.840 -8.077 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -14.241 18.352 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 41 -13.460 17.776 -9.937 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -15.149 17.431 -11.697 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -15.165 16.114 -10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -16.424 17.371 -10.457 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -14.515 19.720 -11.026 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -15.764 19.747 -9.758 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -14.065 20.073 -9.341 1.00 0.00 H new ATOM 604 N VAL A 42 -12.578 15.470 -9.144 1.00 0.00 N ATOM 605 CA VAL A 42 -11.178 15.229 -9.450 1.00 0.00 C ATOM 606 C VAL A 42 -10.745 16.128 -10.602 1.00 0.00 C ATOM 607 O VAL A 42 -11.401 16.173 -11.642 1.00 0.00 O ATOM 608 CB VAL A 42 -10.932 13.749 -9.828 1.00 0.00 C ATOM 609 CG1 VAL A 42 -9.468 13.511 -10.165 1.00 0.00 C ATOM 610 CG2 VAL A 42 -11.383 12.822 -8.706 1.00 0.00 C ATOM 0 H VAL A 42 -13.220 15.209 -9.893 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.591 15.455 -8.560 1.00 0.00 H new ATOM 0 HB VAL A 42 -11.525 13.525 -10.715 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -9.321 12.463 -10.427 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.182 14.140 -11.008 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.851 13.759 -9.301 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.200 11.787 -8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.824 13.050 -7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -12.448 12.965 -8.522 1.00 0.00 H new ATOM 620 N GLU A 43 -9.656 16.857 -10.400 1.00 0.00 N ATOM 621 CA GLU A 43 -9.140 17.769 -11.404 1.00 0.00 C ATOM 622 C GLU A 43 -8.585 16.979 -12.591 1.00 0.00 C ATOM 623 O GLU A 43 -7.812 16.037 -12.414 1.00 0.00 O ATOM 624 CB GLU A 43 -8.058 18.639 -10.764 1.00 0.00 C ATOM 625 CG GLU A 43 -7.676 19.858 -11.576 1.00 0.00 C ATOM 626 CD GLU A 43 -6.870 20.849 -10.767 1.00 0.00 C ATOM 627 OE1 GLU A 43 -7.485 21.668 -10.050 1.00 0.00 O ATOM 628 OE2 GLU A 43 -5.623 20.815 -10.829 1.00 0.00 O ATOM 0 H GLU A 43 -9.110 16.831 -9.539 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.938 18.411 -11.777 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.404 18.965 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.168 18.031 -10.603 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.099 19.547 -12.447 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.579 20.343 -11.948 1.00 0.00 H new ATOM 635 N PRO A 44 -8.995 17.356 -13.817 1.00 0.00 N ATOM 636 CA PRO A 44 -8.677 16.615 -15.051 1.00 0.00 C ATOM 637 C PRO A 44 -7.185 16.371 -15.254 1.00 0.00 C ATOM 638 O PRO A 44 -6.793 15.387 -15.885 1.00 0.00 O ATOM 639 CB PRO A 44 -9.225 17.511 -16.170 1.00 0.00 C ATOM 640 CG PRO A 44 -9.464 18.835 -15.532 1.00 0.00 C ATOM 641 CD PRO A 44 -9.809 18.544 -14.106 1.00 0.00 C ATOM 0 HA PRO A 44 -9.114 15.617 -15.024 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -8.514 17.593 -16.992 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -10.146 17.103 -16.585 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -8.578 19.467 -15.599 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -10.274 19.368 -16.029 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -9.558 19.377 -13.450 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.873 18.347 -13.978 1.00 0.00 H new ATOM 649 N GLY A 45 -6.361 17.270 -14.741 1.00 0.00 N ATOM 650 CA GLY A 45 -4.926 17.098 -14.836 1.00 0.00 C ATOM 651 C GLY A 45 -4.273 17.010 -13.475 1.00 0.00 C ATOM 652 O GLY A 45 -3.376 17.788 -13.159 1.00 0.00 O ATOM 0 H GLY A 45 -6.660 18.118 -14.259 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.706 16.193 -15.402 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.497 17.933 -15.390 1.00 0.00 H new ATOM 656 N SER A 46 -4.734 16.075 -12.655 1.00 0.00 N ATOM 657 CA SER A 46 -4.182 15.898 -11.320 1.00 0.00 C ATOM 658 C SER A 46 -3.615 14.489 -11.147 1.00 0.00 C ATOM 659 O SER A 46 -3.934 13.585 -11.919 1.00 0.00 O ATOM 660 CB SER A 46 -5.268 16.152 -10.274 1.00 0.00 C ATOM 661 OG SER A 46 -6.330 15.220 -10.407 1.00 0.00 O ATOM 0 H SER A 46 -5.487 15.429 -12.891 1.00 0.00 H new ATOM 0 HA SER A 46 -3.371 16.614 -11.185 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.839 16.080 -9.274 1.00 0.00 H new ATOM 0 HB3 SER A 46 -5.653 17.166 -10.383 1.00 0.00 H new ATOM 0 HG SER A 46 -6.987 15.562 -11.048 1.00 0.00 H new ATOM 667 N PRO A 47 -2.742 14.292 -10.142 1.00 0.00 N ATOM 668 CA PRO A 47 -2.247 12.962 -9.764 1.00 0.00 C ATOM 669 C PRO A 47 -3.374 12.044 -9.280 1.00 0.00 C ATOM 670 O PRO A 47 -3.236 10.821 -9.275 1.00 0.00 O ATOM 671 CB PRO A 47 -1.270 13.247 -8.619 1.00 0.00 C ATOM 672 CG PRO A 47 -0.915 14.686 -8.760 1.00 0.00 C ATOM 673 CD PRO A 47 -2.138 15.352 -9.317 1.00 0.00 C ATOM 0 HA PRO A 47 -1.791 12.446 -10.609 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.729 13.047 -7.651 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.385 12.614 -8.689 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.638 15.117 -7.798 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.061 14.815 -9.425 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.813 15.684 -8.528 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.885 16.231 -9.910 1.00 0.00 H new ATOM 681 N ALA A 48 -4.494 12.649 -8.888 1.00 0.00 N ATOM 682 CA ALA A 48 -5.642 11.904 -8.389 1.00 0.00 C ATOM 683 C ALA A 48 -6.196 10.956 -9.449 1.00 0.00 C ATOM 684 O ALA A 48 -6.465 9.786 -9.167 1.00 0.00 O ATOM 685 CB ALA A 48 -6.726 12.861 -7.920 1.00 0.00 C ATOM 0 H ALA A 48 -4.628 13.660 -8.908 1.00 0.00 H new ATOM 0 HA ALA A 48 -5.308 11.301 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.578 12.292 -7.549 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.335 13.490 -7.121 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -7.043 13.488 -8.753 1.00 0.00 H new ATOM 691 N GLU A 49 -6.350 11.455 -10.672 1.00 0.00 N ATOM 692 CA GLU A 49 -6.886 10.641 -11.754 1.00 0.00 C ATOM 693 C GLU A 49 -5.885 9.561 -12.157 1.00 0.00 C ATOM 694 O GLU A 49 -6.271 8.486 -12.617 1.00 0.00 O ATOM 695 CB GLU A 49 -7.309 11.514 -12.949 1.00 0.00 C ATOM 696 CG GLU A 49 -6.176 12.230 -13.674 1.00 0.00 C ATOM 697 CD GLU A 49 -5.564 11.395 -14.783 1.00 0.00 C ATOM 698 OE1 GLU A 49 -6.317 10.915 -15.653 1.00 0.00 O ATOM 699 OE2 GLU A 49 -4.329 11.230 -14.803 1.00 0.00 O ATOM 0 H GLU A 49 -6.113 12.411 -10.936 1.00 0.00 H new ATOM 0 HA GLU A 49 -7.785 10.138 -11.397 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.836 10.885 -13.667 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.020 12.261 -12.597 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.552 13.163 -14.094 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -5.401 12.494 -12.955 1.00 0.00 H new ATOM 706 N LYS A 50 -4.596 9.847 -11.971 1.00 0.00 N ATOM 707 CA LYS A 50 -3.550 8.857 -12.203 1.00 0.00 C ATOM 708 C LYS A 50 -3.703 7.693 -11.237 1.00 0.00 C ATOM 709 O LYS A 50 -3.604 6.527 -11.625 1.00 0.00 O ATOM 710 CB LYS A 50 -2.162 9.463 -12.006 1.00 0.00 C ATOM 711 CG LYS A 50 -1.733 10.454 -13.074 1.00 0.00 C ATOM 712 CD LYS A 50 -0.325 10.963 -12.805 1.00 0.00 C ATOM 713 CE LYS A 50 0.671 9.814 -12.731 1.00 0.00 C ATOM 714 NZ LYS A 50 2.013 10.260 -12.282 1.00 0.00 N ATOM 0 H LYS A 50 -4.254 10.756 -11.660 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.652 8.512 -13.232 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.135 9.962 -11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.432 8.655 -11.968 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.771 9.979 -14.054 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.429 11.292 -13.099 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.029 11.654 -13.594 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.310 11.522 -11.869 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.295 9.054 -12.046 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.755 9.346 -13.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 2.477 9.491 -11.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.590 10.512 -13.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 1.914 11.090 -11.664 1.00 0.00 H new ATOM 728 N ALA A 51 -3.951 8.028 -9.979 1.00 0.00 N ATOM 729 CA ALA A 51 -4.077 7.037 -8.926 1.00 0.00 C ATOM 730 C ALA A 51 -5.316 6.165 -9.132 1.00 0.00 C ATOM 731 O ALA A 51 -5.344 5.002 -8.732 1.00 0.00 O ATOM 732 CB ALA A 51 -4.112 7.723 -7.568 1.00 0.00 C ATOM 0 H ALA A 51 -4.070 8.990 -9.663 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.207 6.381 -8.963 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.207 6.972 -6.783 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -3.191 8.287 -7.421 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.964 8.402 -7.525 1.00 0.00 H new ATOM 738 N GLY A 52 -6.335 6.732 -9.768 1.00 0.00 N ATOM 739 CA GLY A 52 -7.550 5.982 -10.041 1.00 0.00 C ATOM 740 C GLY A 52 -8.710 6.456 -9.196 1.00 0.00 C ATOM 741 O GLY A 52 -9.801 5.892 -9.251 1.00 0.00 O ATOM 0 H GLY A 52 -6.343 7.697 -10.100 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.807 6.079 -11.096 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -7.373 4.923 -9.852 1.00 0.00 H new ATOM 745 N LEU A 53 -8.453 7.485 -8.405 1.00 0.00 N ATOM 746 CA LEU A 53 -9.465 8.103 -7.563 1.00 0.00 C ATOM 747 C LEU A 53 -10.607 8.668 -8.406 1.00 0.00 C ATOM 748 O LEU A 53 -10.371 9.382 -9.384 1.00 0.00 O ATOM 749 CB LEU A 53 -8.827 9.223 -6.752 1.00 0.00 C ATOM 750 CG LEU A 53 -9.660 9.742 -5.590 1.00 0.00 C ATOM 751 CD1 LEU A 53 -9.506 8.832 -4.385 1.00 0.00 C ATOM 752 CD2 LEU A 53 -9.259 11.163 -5.253 1.00 0.00 C ATOM 0 H LEU A 53 -7.532 7.917 -8.328 1.00 0.00 H new ATOM 0 HA LEU A 53 -9.875 7.344 -6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -7.872 8.869 -6.363 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -8.610 10.055 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 53 -10.711 9.745 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -10.107 9.215 -3.561 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -9.841 7.827 -4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -8.459 8.799 -4.085 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -9.862 11.523 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -8.205 11.188 -4.975 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -9.420 11.802 -6.121 1.00 0.00 H new ATOM 764 N LEU A 54 -11.835 8.347 -8.029 1.00 0.00 N ATOM 765 CA LEU A 54 -13.007 8.844 -8.733 1.00 0.00 C ATOM 766 C LEU A 54 -13.804 9.785 -7.836 1.00 0.00 C ATOM 767 O LEU A 54 -13.617 9.809 -6.620 1.00 0.00 O ATOM 768 CB LEU A 54 -13.886 7.678 -9.193 1.00 0.00 C ATOM 769 CG LEU A 54 -13.236 6.735 -10.208 1.00 0.00 C ATOM 770 CD1 LEU A 54 -14.182 5.601 -10.555 1.00 0.00 C ATOM 771 CD2 LEU A 54 -12.833 7.497 -11.462 1.00 0.00 C ATOM 0 H LEU A 54 -12.046 7.742 -7.236 1.00 0.00 H new ATOM 0 HA LEU A 54 -12.676 9.397 -9.612 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -14.180 7.098 -8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -14.799 8.082 -9.629 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.337 6.311 -9.761 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -13.706 4.938 -11.278 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -14.424 5.040 -9.652 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -15.097 6.009 -10.984 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.372 6.811 -12.173 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -13.717 7.948 -11.914 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.121 8.279 -11.199 1.00 0.00 H new ATOM 783 N ALA A 55 -14.701 10.555 -8.442 1.00 0.00 N ATOM 784 CA ALA A 55 -15.442 11.587 -7.725 1.00 0.00 C ATOM 785 C ALA A 55 -16.667 11.015 -7.019 1.00 0.00 C ATOM 786 O ALA A 55 -17.755 11.596 -7.066 1.00 0.00 O ATOM 787 CB ALA A 55 -15.848 12.696 -8.682 1.00 0.00 C ATOM 0 H ALA A 55 -14.933 10.484 -9.433 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.786 11.998 -6.958 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.401 13.462 -8.138 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -14.956 13.138 -9.126 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -16.479 12.284 -9.470 1.00 0.00 H new ATOM 793 N GLY A 56 -16.486 9.875 -6.370 1.00 0.00 N ATOM 794 CA GLY A 56 -17.560 9.267 -5.609 1.00 0.00 C ATOM 795 C GLY A 56 -17.078 8.113 -4.754 1.00 0.00 C ATOM 796 O GLY A 56 -17.871 7.273 -4.327 1.00 0.00 O ATOM 0 H GLY A 56 -15.608 9.356 -6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -18.022 10.021 -4.971 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -18.331 8.912 -6.293 1.00 0.00 H new ATOM 800 N ASP A 57 -15.777 8.080 -4.490 1.00 0.00 N ATOM 801 CA ASP A 57 -15.179 6.993 -3.725 1.00 0.00 C ATOM 802 C ASP A 57 -15.234 7.276 -2.236 1.00 0.00 C ATOM 803 O ASP A 57 -15.278 8.433 -1.807 1.00 0.00 O ATOM 804 CB ASP A 57 -13.721 6.770 -4.135 1.00 0.00 C ATOM 805 CG ASP A 57 -13.586 6.098 -5.481 1.00 0.00 C ATOM 806 OD1 ASP A 57 -14.258 5.072 -5.709 1.00 0.00 O ATOM 807 OD2 ASP A 57 -12.784 6.577 -6.305 1.00 0.00 O ATOM 0 H ASP A 57 -15.116 8.794 -4.795 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.757 6.094 -3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -13.205 7.730 -4.160 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.225 6.161 -3.379 1.00 0.00 H new ATOM 812 N ARG A 58 -15.237 6.208 -1.453 1.00 0.00 N ATOM 813 CA ARG A 58 -15.162 6.319 -0.008 1.00 0.00 C ATOM 814 C ARG A 58 -13.718 6.182 0.442 1.00 0.00 C ATOM 815 O ARG A 58 -13.106 5.127 0.272 1.00 0.00 O ATOM 816 CB ARG A 58 -16.023 5.241 0.667 1.00 0.00 C ATOM 817 CG ARG A 58 -15.894 5.207 2.187 1.00 0.00 C ATOM 818 CD ARG A 58 -16.604 3.998 2.776 1.00 0.00 C ATOM 819 NE ARG A 58 -16.556 3.979 4.243 1.00 0.00 N ATOM 820 CZ ARG A 58 -17.376 3.243 4.999 1.00 0.00 C ATOM 821 NH1 ARG A 58 -18.221 2.403 4.432 1.00 0.00 N ATOM 822 NH2 ARG A 58 -17.315 3.296 6.322 1.00 0.00 N ATOM 0 H ARG A 58 -15.291 5.250 -1.799 1.00 0.00 H new ATOM 0 HA ARG A 58 -15.543 7.297 0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -17.068 5.408 0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.746 4.266 0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -14.840 5.183 2.464 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -16.314 6.120 2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -17.644 3.996 2.449 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -16.147 3.087 2.389 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.859 4.559 4.711 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -18.248 2.315 3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -18.847 1.841 5.010 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -16.635 3.905 6.777 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -17.948 2.728 6.885 1.00 0.00 H new ATOM 836 N LEU A 59 -13.174 7.254 0.994 1.00 0.00 N ATOM 837 CA LEU A 59 -11.818 7.229 1.518 1.00 0.00 C ATOM 838 C LEU A 59 -11.802 6.494 2.852 1.00 0.00 C ATOM 839 O LEU A 59 -12.365 6.970 3.836 1.00 0.00 O ATOM 840 CB LEU A 59 -11.284 8.654 1.685 1.00 0.00 C ATOM 841 CG LEU A 59 -9.863 8.758 2.242 1.00 0.00 C ATOM 842 CD1 LEU A 59 -8.880 8.016 1.352 1.00 0.00 C ATOM 843 CD2 LEU A 59 -9.458 10.214 2.380 1.00 0.00 C ATOM 0 H LEU A 59 -13.649 8.151 1.091 1.00 0.00 H new ATOM 0 HA LEU A 59 -11.172 6.704 0.814 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -11.314 9.152 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -11.957 9.201 2.345 1.00 0.00 H new ATOM 0 HG LEU A 59 -9.846 8.295 3.229 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -7.876 8.103 1.767 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -9.160 6.964 1.298 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -8.898 8.448 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -8.445 10.274 2.777 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -9.494 10.696 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -10.144 10.720 3.059 1.00 0.00 H new ATOM 855 N VAL A 60 -11.176 5.326 2.870 1.00 0.00 N ATOM 856 CA VAL A 60 -11.172 4.488 4.058 1.00 0.00 C ATOM 857 C VAL A 60 -9.997 4.827 4.966 1.00 0.00 C ATOM 858 O VAL A 60 -10.180 5.163 6.139 1.00 0.00 O ATOM 859 CB VAL A 60 -11.111 2.991 3.684 1.00 0.00 C ATOM 860 CG1 VAL A 60 -11.130 2.122 4.930 1.00 0.00 C ATOM 861 CG2 VAL A 60 -12.259 2.621 2.759 1.00 0.00 C ATOM 0 H VAL A 60 -10.666 4.939 2.076 1.00 0.00 H new ATOM 0 HA VAL A 60 -12.102 4.684 4.591 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.174 2.812 3.157 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.086 1.072 4.642 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -10.270 2.363 5.555 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.047 2.307 5.489 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -12.197 1.562 2.508 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.207 2.821 3.258 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -12.197 3.214 1.847 1.00 0.00 H new ATOM 871 N GLU A 61 -8.793 4.769 4.422 1.00 0.00 N ATOM 872 CA GLU A 61 -7.608 5.042 5.213 1.00 0.00 C ATOM 873 C GLU A 61 -6.583 5.839 4.420 1.00 0.00 C ATOM 874 O GLU A 61 -6.603 5.855 3.186 1.00 0.00 O ATOM 875 CB GLU A 61 -6.979 3.744 5.730 1.00 0.00 C ATOM 876 CG GLU A 61 -6.465 2.819 4.645 1.00 0.00 C ATOM 877 CD GLU A 61 -5.578 1.727 5.203 1.00 0.00 C ATOM 878 OE1 GLU A 61 -6.113 0.740 5.749 1.00 0.00 O ATOM 879 OE2 GLU A 61 -4.339 1.861 5.109 1.00 0.00 O ATOM 0 H GLU A 61 -8.612 4.538 3.445 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.921 5.642 6.068 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.154 3.995 6.397 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.718 3.209 6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.309 2.369 4.123 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.907 3.398 3.909 1.00 0.00 H new ATOM 886 N VAL A 62 -5.687 6.492 5.145 1.00 0.00 N ATOM 887 CA VAL A 62 -4.647 7.309 4.543 1.00 0.00 C ATOM 888 C VAL A 62 -3.283 6.886 5.064 1.00 0.00 C ATOM 889 O VAL A 62 -2.983 7.046 6.249 1.00 0.00 O ATOM 890 CB VAL A 62 -4.864 8.815 4.834 1.00 0.00 C ATOM 891 CG1 VAL A 62 -3.673 9.642 4.366 1.00 0.00 C ATOM 892 CG2 VAL A 62 -6.141 9.303 4.170 1.00 0.00 C ATOM 0 H VAL A 62 -5.661 6.470 6.164 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.694 7.159 3.464 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.958 8.940 5.913 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.853 10.695 4.583 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -2.774 9.313 4.887 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.538 9.511 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.280 10.363 4.383 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.070 9.156 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -6.990 8.740 4.557 1.00 0.00 H new ATOM 902 N ASN A 63 -2.475 6.320 4.175 1.00 0.00 N ATOM 903 CA ASN A 63 -1.094 5.959 4.490 1.00 0.00 C ATOM 904 C ASN A 63 -0.996 4.978 5.657 1.00 0.00 C ATOM 905 O ASN A 63 -0.114 5.108 6.508 1.00 0.00 O ATOM 906 CB ASN A 63 -0.271 7.217 4.792 1.00 0.00 C ATOM 907 CG ASN A 63 0.648 7.610 3.651 1.00 0.00 C ATOM 908 OD1 ASN A 63 0.369 7.333 2.485 1.00 0.00 O ATOM 909 ND2 ASN A 63 1.749 8.271 3.978 1.00 0.00 N ATOM 0 H ASN A 63 -2.755 6.098 3.220 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.689 5.458 3.611 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -0.947 8.044 5.008 1.00 0.00 H new ATOM 0 HB3 ASN A 63 0.324 7.049 5.690 1.00 0.00 H new ATOM 0 HD21 ASN A 63 2.400 8.569 3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.946 8.482 4.956 1.00 0.00 H new ATOM 916 N GLY A 64 -1.901 4.011 5.706 1.00 0.00 N ATOM 917 CA GLY A 64 -1.774 2.942 6.676 1.00 0.00 C ATOM 918 C GLY A 64 -2.754 3.035 7.829 1.00 0.00 C ATOM 919 O GLY A 64 -2.998 2.038 8.512 1.00 0.00 O ATOM 0 H GLY A 64 -2.716 3.947 5.096 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -1.915 1.987 6.169 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -0.759 2.945 7.074 1.00 0.00 H new ATOM 923 N GLU A 65 -3.320 4.210 8.062 1.00 0.00 N ATOM 924 CA GLU A 65 -4.225 4.385 9.189 1.00 0.00 C ATOM 925 C GLU A 65 -5.613 4.800 8.719 1.00 0.00 C ATOM 926 O GLU A 65 -5.755 5.627 7.814 1.00 0.00 O ATOM 927 CB GLU A 65 -3.665 5.408 10.181 1.00 0.00 C ATOM 928 CG GLU A 65 -3.518 6.812 9.624 1.00 0.00 C ATOM 929 CD GLU A 65 -2.921 7.758 10.639 1.00 0.00 C ATOM 930 OE1 GLU A 65 -3.595 8.058 11.642 1.00 0.00 O ATOM 931 OE2 GLU A 65 -1.764 8.192 10.448 1.00 0.00 O ATOM 0 H GLU A 65 -3.172 5.045 7.495 1.00 0.00 H new ATOM 0 HA GLU A 65 -4.314 3.425 9.698 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.318 5.444 11.053 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.690 5.064 10.526 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.887 6.786 8.736 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -4.494 7.183 9.311 1.00 0.00 H new ATOM 938 N ASN A 66 -6.626 4.209 9.349 1.00 0.00 N ATOM 939 CA ASN A 66 -8.025 4.441 8.999 1.00 0.00 C ATOM 940 C ASN A 66 -8.415 5.884 9.300 1.00 0.00 C ATOM 941 O ASN A 66 -8.065 6.414 10.354 1.00 0.00 O ATOM 942 CB ASN A 66 -8.921 3.475 9.789 1.00 0.00 C ATOM 943 CG ASN A 66 -10.357 3.451 9.300 1.00 0.00 C ATOM 944 OD1 ASN A 66 -10.709 2.660 8.421 1.00 0.00 O ATOM 945 ND2 ASN A 66 -11.201 4.299 9.871 1.00 0.00 N ATOM 0 H ASN A 66 -6.499 3.553 10.120 1.00 0.00 H new ATOM 0 HA ASN A 66 -8.158 4.263 7.932 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -8.506 2.469 9.723 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -8.908 3.757 10.842 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.180 4.313 9.587 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -10.871 4.938 10.595 1.00 0.00 H new ATOM 952 N VAL A 67 -9.129 6.525 8.378 1.00 0.00 N ATOM 953 CA VAL A 67 -9.474 7.934 8.543 1.00 0.00 C ATOM 954 C VAL A 67 -10.967 8.202 8.373 1.00 0.00 C ATOM 955 O VAL A 67 -11.429 9.312 8.628 1.00 0.00 O ATOM 956 CB VAL A 67 -8.703 8.836 7.554 1.00 0.00 C ATOM 957 CG1 VAL A 67 -7.204 8.753 7.795 1.00 0.00 C ATOM 958 CG2 VAL A 67 -9.037 8.468 6.116 1.00 0.00 C ATOM 0 H VAL A 67 -9.476 6.098 7.519 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.187 8.177 9.566 1.00 0.00 H new ATOM 0 HB VAL A 67 -9.016 9.866 7.725 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.685 9.397 7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.980 9.078 8.811 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.870 7.724 7.662 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -8.483 9.116 5.437 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.761 7.429 5.933 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -10.106 8.595 5.947 1.00 0.00 H new ATOM 968 N GLU A 68 -11.730 7.202 7.966 1.00 0.00 N ATOM 969 CA GLU A 68 -13.145 7.419 7.685 1.00 0.00 C ATOM 970 C GLU A 68 -13.989 7.421 8.961 1.00 0.00 C ATOM 971 O GLU A 68 -15.209 7.561 8.905 1.00 0.00 O ATOM 972 CB GLU A 68 -13.670 6.409 6.659 1.00 0.00 C ATOM 973 CG GLU A 68 -13.355 4.956 6.962 1.00 0.00 C ATOM 974 CD GLU A 68 -14.250 4.368 8.025 1.00 0.00 C ATOM 975 OE1 GLU A 68 -15.473 4.313 7.807 1.00 0.00 O ATOM 976 OE2 GLU A 68 -13.731 3.965 9.083 1.00 0.00 O ATOM 0 H GLU A 68 -11.404 6.246 7.824 1.00 0.00 H new ATOM 0 HA GLU A 68 -13.238 8.412 7.245 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.752 6.521 6.583 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -13.254 6.658 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.453 4.370 6.048 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.317 4.874 7.283 1.00 0.00 H new ATOM 983 N LYS A 69 -13.330 7.274 10.104 1.00 0.00 N ATOM 984 CA LYS A 69 -13.987 7.413 11.398 1.00 0.00 C ATOM 985 C LYS A 69 -13.467 8.643 12.132 1.00 0.00 C ATOM 986 O LYS A 69 -13.766 8.857 13.308 1.00 0.00 O ATOM 987 CB LYS A 69 -13.785 6.171 12.238 1.00 0.00 C ATOM 988 CG LYS A 69 -14.588 5.000 11.727 1.00 0.00 C ATOM 989 CD LYS A 69 -14.452 3.814 12.636 1.00 0.00 C ATOM 990 CE LYS A 69 -15.162 2.594 12.069 1.00 0.00 C ATOM 991 NZ LYS A 69 -14.587 2.167 10.766 1.00 0.00 N ATOM 0 H LYS A 69 -12.335 7.057 10.161 1.00 0.00 H new ATOM 0 HA LYS A 69 -15.056 7.539 11.226 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -12.727 5.908 12.246 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -14.069 6.382 13.269 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -15.638 5.282 11.647 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -14.252 4.734 10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -13.396 3.586 12.784 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -14.866 4.055 13.615 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -15.094 1.772 12.781 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -16.221 2.818 11.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -15.019 1.267 10.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -14.780 2.893 10.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -13.559 2.042 10.864 1.00 0.00 H new ATOM 1005 N GLU A 70 -12.683 9.444 11.421 1.00 0.00 N ATOM 1006 CA GLU A 70 -12.088 10.649 11.983 1.00 0.00 C ATOM 1007 C GLU A 70 -12.959 11.865 11.695 1.00 0.00 C ATOM 1008 O GLU A 70 -14.006 11.756 11.060 1.00 0.00 O ATOM 1009 CB GLU A 70 -10.707 10.876 11.374 1.00 0.00 C ATOM 1010 CG GLU A 70 -9.768 9.694 11.515 1.00 0.00 C ATOM 1011 CD GLU A 70 -9.300 9.490 12.937 1.00 0.00 C ATOM 1012 OE1 GLU A 70 -8.619 10.392 13.472 1.00 0.00 O ATOM 1013 OE2 GLU A 70 -9.587 8.425 13.520 1.00 0.00 O ATOM 0 H GLU A 70 -12.443 9.278 10.444 1.00 0.00 H new ATOM 0 HA GLU A 70 -12.004 10.516 13.062 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -10.822 11.111 10.316 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.252 11.747 11.846 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.272 8.791 11.169 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -8.902 9.843 10.869 1.00 0.00 H new ATOM 1020 N THR A 71 -12.514 13.026 12.152 1.00 0.00 N ATOM 1021 CA THR A 71 -13.182 14.268 11.813 1.00 0.00 C ATOM 1022 C THR A 71 -12.794 14.672 10.396 1.00 0.00 C ATOM 1023 O THR A 71 -11.754 14.234 9.896 1.00 0.00 O ATOM 1024 CB THR A 71 -12.804 15.417 12.776 1.00 0.00 C ATOM 1025 OG1 THR A 71 -11.440 15.807 12.559 1.00 0.00 O ATOM 1026 CG2 THR A 71 -12.980 14.999 14.227 1.00 0.00 C ATOM 0 H THR A 71 -11.698 13.131 12.755 1.00 0.00 H new ATOM 0 HA THR A 71 -14.256 14.098 11.895 1.00 0.00 H new ATOM 0 HB THR A 71 -13.468 16.257 12.573 1.00 0.00 H new ATOM 0 HG1 THR A 71 -11.207 16.536 13.171 1.00 0.00 H new ATOM 0 HG21 THR A 71 -12.706 15.828 14.880 1.00 0.00 H new ATOM 0 HG22 THR A 71 -14.020 14.726 14.403 1.00 0.00 H new ATOM 0 HG23 THR A 71 -12.339 14.143 14.439 1.00 0.00 H new ATOM 1034 N HIS A 72 -13.600 15.503 9.752 1.00 0.00 N ATOM 1035 CA HIS A 72 -13.277 15.970 8.405 1.00 0.00 C ATOM 1036 C HIS A 72 -11.903 16.643 8.394 1.00 0.00 C ATOM 1037 O HIS A 72 -11.122 16.469 7.459 1.00 0.00 O ATOM 1038 CB HIS A 72 -14.360 16.934 7.898 1.00 0.00 C ATOM 1039 CG HIS A 72 -14.064 17.544 6.560 1.00 0.00 C ATOM 1040 ND1 HIS A 72 -14.078 16.828 5.382 1.00 0.00 N ATOM 1041 CD2 HIS A 72 -13.738 18.816 6.221 1.00 0.00 C ATOM 1042 CE1 HIS A 72 -13.773 17.633 4.379 1.00 0.00 C ATOM 1043 NE2 HIS A 72 -13.561 18.843 4.861 1.00 0.00 N ATOM 0 H HIS A 72 -14.474 15.867 10.132 1.00 0.00 H new ATOM 0 HA HIS A 72 -13.245 15.111 7.734 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -15.308 16.399 7.839 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -14.490 17.733 8.628 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.637 19.653 6.896 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.708 17.348 3.339 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.307 19.664 4.312 1.00 0.00 H new ATOM 1052 N GLN A 73 -11.619 17.392 9.453 1.00 0.00 N ATOM 1053 CA GLN A 73 -10.357 18.114 9.580 1.00 0.00 C ATOM 1054 C GLN A 73 -9.176 17.144 9.673 1.00 0.00 C ATOM 1055 O GLN A 73 -8.153 17.336 9.012 1.00 0.00 O ATOM 1056 CB GLN A 73 -10.396 19.008 10.822 1.00 0.00 C ATOM 1057 CG GLN A 73 -9.259 20.014 10.896 1.00 0.00 C ATOM 1058 CD GLN A 73 -9.352 21.085 9.825 1.00 0.00 C ATOM 1059 OE1 GLN A 73 -8.806 20.943 8.730 1.00 0.00 O ATOM 1060 NE2 GLN A 73 -10.057 22.164 10.131 1.00 0.00 N ATOM 0 H GLN A 73 -12.252 17.516 10.243 1.00 0.00 H new ATOM 0 HA GLN A 73 -10.222 18.730 8.691 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.344 19.545 10.841 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.369 18.378 11.711 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -9.262 20.487 11.878 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -8.309 19.489 10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -10.494 22.244 11.049 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -10.163 22.915 9.449 1.00 0.00 H new ATOM 1069 N GLN A 74 -9.330 16.093 10.480 1.00 0.00 N ATOM 1070 CA GLN A 74 -8.259 15.117 10.683 1.00 0.00 C ATOM 1071 C GLN A 74 -7.924 14.390 9.391 1.00 0.00 C ATOM 1072 O GLN A 74 -6.754 14.133 9.102 1.00 0.00 O ATOM 1073 CB GLN A 74 -8.632 14.093 11.760 1.00 0.00 C ATOM 1074 CG GLN A 74 -8.567 14.628 13.179 1.00 0.00 C ATOM 1075 CD GLN A 74 -7.258 15.334 13.479 1.00 0.00 C ATOM 1076 OE1 GLN A 74 -6.266 14.706 13.852 1.00 0.00 O ATOM 1077 NE2 GLN A 74 -7.258 16.649 13.354 1.00 0.00 N ATOM 0 H GLN A 74 -10.184 15.896 11.002 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.383 15.674 11.015 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -9.642 13.731 11.566 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -7.964 13.235 11.676 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.394 15.320 13.340 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.700 13.804 13.880 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.101 17.132 13.042 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -6.415 17.182 13.569 1.00 0.00 H new ATOM 1086 N VAL A 75 -8.952 14.062 8.619 1.00 0.00 N ATOM 1087 CA VAL A 75 -8.765 13.362 7.355 1.00 0.00 C ATOM 1088 C VAL A 75 -7.931 14.204 6.394 1.00 0.00 C ATOM 1089 O VAL A 75 -6.915 13.743 5.872 1.00 0.00 O ATOM 1090 CB VAL A 75 -10.113 13.015 6.689 1.00 0.00 C ATOM 1091 CG1 VAL A 75 -9.898 12.180 5.437 1.00 0.00 C ATOM 1092 CG2 VAL A 75 -11.024 12.286 7.663 1.00 0.00 C ATOM 0 H VAL A 75 -9.924 14.270 8.846 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.241 12.433 7.578 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.596 13.949 6.400 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -10.862 11.948 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.289 12.739 4.727 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -9.388 11.253 5.701 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -11.968 12.051 7.172 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.545 11.362 7.988 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -11.213 12.921 8.529 1.00 0.00 H new ATOM 1102 N VAL A 76 -8.349 15.452 6.201 1.00 0.00 N ATOM 1103 CA VAL A 76 -7.685 16.350 5.260 1.00 0.00 C ATOM 1104 C VAL A 76 -6.237 16.607 5.674 1.00 0.00 C ATOM 1105 O VAL A 76 -5.334 16.632 4.832 1.00 0.00 O ATOM 1106 CB VAL A 76 -8.438 17.697 5.144 1.00 0.00 C ATOM 1107 CG1 VAL A 76 -7.728 18.645 4.189 1.00 0.00 C ATOM 1108 CG2 VAL A 76 -9.871 17.471 4.690 1.00 0.00 C ATOM 0 H VAL A 76 -9.146 15.865 6.685 1.00 0.00 H new ATOM 0 HA VAL A 76 -7.693 15.859 4.287 1.00 0.00 H new ATOM 0 HB VAL A 76 -8.450 18.157 6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.281 19.582 4.129 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -6.720 18.841 4.554 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.674 18.191 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -10.384 18.430 4.614 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -9.871 16.981 3.716 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.387 16.840 5.414 1.00 0.00 H new ATOM 1118 N SER A 77 -6.022 16.772 6.974 1.00 0.00 N ATOM 1119 CA SER A 77 -4.691 17.043 7.506 1.00 0.00 C ATOM 1120 C SER A 77 -3.722 15.907 7.177 1.00 0.00 C ATOM 1121 O SER A 77 -2.594 16.147 6.748 1.00 0.00 O ATOM 1122 CB SER A 77 -4.769 17.256 9.021 1.00 0.00 C ATOM 1123 OG SER A 77 -5.634 18.337 9.340 1.00 0.00 O ATOM 0 H SER A 77 -6.755 16.723 7.682 1.00 0.00 H new ATOM 0 HA SER A 77 -4.312 17.951 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.127 16.345 9.502 1.00 0.00 H new ATOM 0 HB3 SER A 77 -3.773 17.454 9.416 1.00 0.00 H new ATOM 0 HG SER A 77 -6.564 18.065 9.196 1.00 0.00 H new ATOM 1129 N ARG A 78 -4.173 14.669 7.355 1.00 0.00 N ATOM 1130 CA ARG A 78 -3.331 13.506 7.105 1.00 0.00 C ATOM 1131 C ARG A 78 -2.992 13.359 5.626 1.00 0.00 C ATOM 1132 O ARG A 78 -1.880 12.959 5.279 1.00 0.00 O ATOM 1133 CB ARG A 78 -4.007 12.240 7.615 1.00 0.00 C ATOM 1134 CG ARG A 78 -4.155 12.222 9.122 1.00 0.00 C ATOM 1135 CD ARG A 78 -4.756 10.919 9.605 1.00 0.00 C ATOM 1136 NE ARG A 78 -4.702 10.801 11.061 1.00 0.00 N ATOM 1137 CZ ARG A 78 -5.771 10.846 11.852 1.00 0.00 C ATOM 1138 NH1 ARG A 78 -6.966 11.101 11.343 1.00 0.00 N ATOM 1139 NH2 ARG A 78 -5.647 10.661 13.158 1.00 0.00 N ATOM 0 H ARG A 78 -5.117 14.446 7.671 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.397 13.657 7.647 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -4.992 12.149 7.156 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -3.428 11.372 7.301 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.180 12.368 9.586 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.786 13.054 9.437 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.792 10.852 9.273 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -4.222 10.083 9.153 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.789 10.676 11.498 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.070 11.264 10.341 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.783 11.135 11.952 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.728 10.483 13.563 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.471 10.697 13.759 1.00 0.00 H new ATOM 1153 N ILE A 79 -3.950 13.667 4.758 1.00 0.00 N ATOM 1154 CA ILE A 79 -3.726 13.587 3.319 1.00 0.00 C ATOM 1155 C ILE A 79 -2.674 14.605 2.886 1.00 0.00 C ATOM 1156 O ILE A 79 -1.726 14.267 2.178 1.00 0.00 O ATOM 1157 CB ILE A 79 -5.025 13.834 2.522 1.00 0.00 C ATOM 1158 CG1 ILE A 79 -6.130 12.887 2.986 1.00 0.00 C ATOM 1159 CG2 ILE A 79 -4.772 13.653 1.032 1.00 0.00 C ATOM 1160 CD1 ILE A 79 -7.474 13.170 2.349 1.00 0.00 C ATOM 0 H ILE A 79 -4.886 13.973 5.024 1.00 0.00 H new ATOM 0 HA ILE A 79 -3.376 12.577 3.105 1.00 0.00 H new ATOM 0 HB ILE A 79 -5.349 14.859 2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -5.838 11.862 2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -6.228 12.958 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -5.696 13.830 0.482 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -4.012 14.362 0.703 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -4.426 12.637 0.842 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -8.211 12.460 2.724 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -7.788 14.184 2.597 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -7.392 13.070 1.267 1.00 0.00 H new ATOM 1172 N ARG A 80 -2.829 15.841 3.349 1.00 0.00 N ATOM 1173 CA ARG A 80 -1.920 16.924 2.980 1.00 0.00 C ATOM 1174 C ARG A 80 -0.521 16.699 3.544 1.00 0.00 C ATOM 1175 O ARG A 80 0.464 17.185 2.985 1.00 0.00 O ATOM 1176 CB ARG A 80 -2.451 18.271 3.476 1.00 0.00 C ATOM 1177 CG ARG A 80 -3.672 18.770 2.723 1.00 0.00 C ATOM 1178 CD ARG A 80 -4.111 20.133 3.228 1.00 0.00 C ATOM 1179 NE ARG A 80 -5.211 20.690 2.442 1.00 0.00 N ATOM 1180 CZ ARG A 80 -6.059 21.609 2.901 1.00 0.00 C ATOM 1181 NH1 ARG A 80 -5.957 22.050 4.148 1.00 0.00 N ATOM 1182 NH2 ARG A 80 -7.014 22.086 2.114 1.00 0.00 N ATOM 0 H ARG A 80 -3.578 16.120 3.983 1.00 0.00 H new ATOM 0 HA ARG A 80 -1.861 16.934 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -2.700 18.184 4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.658 19.014 3.395 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -3.446 18.829 1.658 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -4.489 18.057 2.837 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -4.418 20.050 4.270 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -3.264 20.818 3.199 1.00 0.00 H new ATOM 0 HE ARG A 80 -5.336 20.355 1.487 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -5.227 21.685 4.760 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -6.609 22.754 4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -7.100 21.749 1.155 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -7.662 22.790 2.468 1.00 0.00 H new ATOM 1196 N ALA A 81 -0.445 15.948 4.641 1.00 0.00 N ATOM 1197 CA ALA A 81 0.808 15.737 5.366 1.00 0.00 C ATOM 1198 C ALA A 81 1.852 14.987 4.539 1.00 0.00 C ATOM 1199 O ALA A 81 3.036 15.004 4.869 1.00 0.00 O ATOM 1200 CB ALA A 81 0.540 14.993 6.665 1.00 0.00 C ATOM 0 H ALA A 81 -1.247 15.470 5.052 1.00 0.00 H new ATOM 0 HA ALA A 81 1.221 16.723 5.581 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.479 14.841 7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.139 15.578 7.286 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.087 14.026 6.444 1.00 0.00 H new ATOM 1206 N ALA A 82 1.419 14.323 3.477 1.00 0.00 N ATOM 1207 CA ALA A 82 2.345 13.613 2.609 1.00 0.00 C ATOM 1208 C ALA A 82 3.213 14.603 1.842 1.00 0.00 C ATOM 1209 O ALA A 82 2.706 15.541 1.223 1.00 0.00 O ATOM 1210 CB ALA A 82 1.596 12.705 1.655 1.00 0.00 C ATOM 0 H ALA A 82 0.440 14.261 3.198 1.00 0.00 H new ATOM 0 HA ALA A 82 2.993 12.992 3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.308 12.183 1.015 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.018 11.977 2.224 1.00 0.00 H new ATOM 0 HB3 ALA A 82 0.923 13.301 1.039 1.00 0.00 H new ATOM 1216 N LEU A 83 4.518 14.393 1.889 1.00 0.00 N ATOM 1217 CA LEU A 83 5.462 15.340 1.321 1.00 0.00 C ATOM 1218 C LEU A 83 5.745 15.055 -0.152 1.00 0.00 C ATOM 1219 O LEU A 83 6.178 15.941 -0.889 1.00 0.00 O ATOM 1220 CB LEU A 83 6.763 15.309 2.123 1.00 0.00 C ATOM 1221 CG LEU A 83 6.624 15.703 3.595 1.00 0.00 C ATOM 1222 CD1 LEU A 83 7.932 15.479 4.331 1.00 0.00 C ATOM 1223 CD2 LEU A 83 6.190 17.154 3.725 1.00 0.00 C ATOM 0 H LEU A 83 4.948 13.573 2.316 1.00 0.00 H new ATOM 0 HA LEU A 83 5.015 16.333 1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.182 14.304 2.069 1.00 0.00 H new ATOM 0 HB3 LEU A 83 7.481 15.979 1.649 1.00 0.00 H new ATOM 0 HG LEU A 83 5.857 15.072 4.045 1.00 0.00 H new ATOM 0 HD11 LEU A 83 7.815 15.764 5.376 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.208 14.426 4.271 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.715 16.085 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.097 17.413 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.933 17.799 3.257 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.228 17.292 3.232 1.00 0.00 H new ATOM 1235 N ASN A 84 5.501 13.827 -0.585 1.00 0.00 N ATOM 1236 CA ASN A 84 5.790 13.448 -1.962 1.00 0.00 C ATOM 1237 C ASN A 84 4.654 12.635 -2.563 1.00 0.00 C ATOM 1238 O ASN A 84 4.207 12.909 -3.670 1.00 0.00 O ATOM 1239 CB ASN A 84 7.092 12.653 -2.030 1.00 0.00 C ATOM 1240 CG ASN A 84 7.429 12.204 -3.439 1.00 0.00 C ATOM 1241 OD1 ASN A 84 8.025 12.947 -4.213 1.00 0.00 O ATOM 1242 ND2 ASN A 84 7.075 10.973 -3.772 1.00 0.00 N ATOM 0 H ASN A 84 5.108 13.082 -0.010 1.00 0.00 H new ATOM 0 HA ASN A 84 5.897 14.364 -2.544 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.907 13.264 -1.643 1.00 0.00 H new ATOM 0 HB3 ASN A 84 7.014 11.779 -1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 84 7.297 10.612 -4.700 1.00 0.00 H new ATOM 0 HD22 ASN A 84 6.580 10.385 -3.101 1.00 0.00 H new ATOM 1249 N ALA A 85 4.187 11.638 -1.834 1.00 0.00 N ATOM 1250 CA ALA A 85 3.120 10.775 -2.319 1.00 0.00 C ATOM 1251 C ALA A 85 2.349 10.163 -1.159 1.00 0.00 C ATOM 1252 O ALA A 85 2.940 9.710 -0.174 1.00 0.00 O ATOM 1253 CB ALA A 85 3.684 9.681 -3.215 1.00 0.00 C ATOM 0 H ALA A 85 4.529 11.404 -0.902 1.00 0.00 H new ATOM 0 HA ALA A 85 2.431 11.384 -2.904 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.872 9.045 -3.568 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.188 10.134 -4.069 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.396 9.079 -2.650 1.00 0.00 H new ATOM 1259 N VAL A 86 1.032 10.151 -1.277 1.00 0.00 N ATOM 1260 CA VAL A 86 0.180 9.609 -0.234 1.00 0.00 C ATOM 1261 C VAL A 86 -0.655 8.462 -0.785 1.00 0.00 C ATOM 1262 O VAL A 86 -1.145 8.528 -1.910 1.00 0.00 O ATOM 1263 CB VAL A 86 -0.749 10.694 0.365 1.00 0.00 C ATOM 1264 CG1 VAL A 86 -1.744 11.211 -0.667 1.00 0.00 C ATOM 1265 CG2 VAL A 86 -1.471 10.172 1.599 1.00 0.00 C ATOM 0 H VAL A 86 0.529 10.512 -2.088 1.00 0.00 H new ATOM 0 HA VAL A 86 0.825 9.241 0.563 1.00 0.00 H new ATOM 0 HB VAL A 86 -0.121 11.532 0.666 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -2.379 11.971 -0.211 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -1.203 11.646 -1.507 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.362 10.386 -1.022 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -2.117 10.953 2.000 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -2.075 9.306 1.328 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -0.739 9.883 2.354 1.00 0.00 H new ATOM 1275 N ARG A 87 -0.797 7.399 -0.012 1.00 0.00 N ATOM 1276 CA ARG A 87 -1.599 6.271 -0.443 1.00 0.00 C ATOM 1277 C ARG A 87 -2.976 6.329 0.200 1.00 0.00 C ATOM 1278 O ARG A 87 -3.124 6.138 1.409 1.00 0.00 O ATOM 1279 CB ARG A 87 -0.912 4.937 -0.129 1.00 0.00 C ATOM 1280 CG ARG A 87 0.317 4.668 -0.987 1.00 0.00 C ATOM 1281 CD ARG A 87 1.572 5.291 -0.395 1.00 0.00 C ATOM 1282 NE ARG A 87 2.027 4.565 0.788 1.00 0.00 N ATOM 1283 CZ ARG A 87 2.797 5.090 1.738 1.00 0.00 C ATOM 1284 NH1 ARG A 87 3.199 6.356 1.653 1.00 0.00 N ATOM 1285 NH2 ARG A 87 3.175 4.342 2.768 1.00 0.00 N ATOM 0 H ARG A 87 -0.371 7.295 0.909 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.711 6.334 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -0.621 4.926 0.921 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -1.628 4.127 -0.270 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.460 3.592 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 87 0.153 5.064 -1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 87 2.363 5.298 -1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 87 1.373 6.330 -0.131 1.00 0.00 H new ATOM 0 HE ARG A 87 1.736 3.593 0.893 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.917 6.928 0.857 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.789 6.754 2.384 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.875 3.369 2.829 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.765 4.740 3.498 1.00 0.00 H new ATOM 1299 N LEU A 88 -3.972 6.611 -0.622 1.00 0.00 N ATOM 1300 CA LEU A 88 -5.348 6.700 -0.171 1.00 0.00 C ATOM 1301 C LEU A 88 -6.090 5.428 -0.548 1.00 0.00 C ATOM 1302 O LEU A 88 -6.175 5.082 -1.727 1.00 0.00 O ATOM 1303 CB LEU A 88 -6.047 7.903 -0.816 1.00 0.00 C ATOM 1304 CG LEU A 88 -5.332 9.248 -0.668 1.00 0.00 C ATOM 1305 CD1 LEU A 88 -6.161 10.360 -1.295 1.00 0.00 C ATOM 1306 CD2 LEU A 88 -5.056 9.554 0.797 1.00 0.00 C ATOM 0 H LEU A 88 -3.849 6.784 -1.620 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.353 6.826 0.912 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.177 7.697 -1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -7.044 7.994 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.377 9.187 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -5.640 11.311 -1.182 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.308 10.151 -2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.130 10.416 -0.798 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -4.547 10.515 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.998 9.595 1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.425 8.772 1.219 1.00 0.00 H new ATOM 1318 N LEU A 89 -6.614 4.722 0.439 1.00 0.00 N ATOM 1319 CA LEU A 89 -7.383 3.524 0.161 1.00 0.00 C ATOM 1320 C LEU A 89 -8.837 3.894 -0.068 1.00 0.00 C ATOM 1321 O LEU A 89 -9.472 4.513 0.788 1.00 0.00 O ATOM 1322 CB LEU A 89 -7.276 2.517 1.305 1.00 0.00 C ATOM 1323 CG LEU A 89 -7.930 1.168 1.018 1.00 0.00 C ATOM 1324 CD1 LEU A 89 -7.135 0.410 -0.033 1.00 0.00 C ATOM 1325 CD2 LEU A 89 -8.062 0.351 2.288 1.00 0.00 C ATOM 0 H LEU A 89 -6.522 4.954 1.428 1.00 0.00 H new ATOM 0 HA LEU A 89 -6.976 3.057 -0.736 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -6.223 2.355 1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -7.733 2.947 2.196 1.00 0.00 H new ATOM 0 HG LEU A 89 -8.933 1.346 0.630 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.613 -0.550 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.101 0.992 -0.954 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.120 0.244 0.328 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -8.531 -0.606 2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -7.074 0.178 2.714 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.677 0.893 3.007 1.00 0.00 H new ATOM 1337 N VAL A 90 -9.362 3.517 -1.218 1.00 0.00 N ATOM 1338 CA VAL A 90 -10.717 3.889 -1.588 1.00 0.00 C ATOM 1339 C VAL A 90 -11.457 2.708 -2.195 1.00 0.00 C ATOM 1340 O VAL A 90 -10.846 1.804 -2.773 1.00 0.00 O ATOM 1341 CB VAL A 90 -10.739 5.080 -2.578 1.00 0.00 C ATOM 1342 CG1 VAL A 90 -10.344 6.371 -1.873 1.00 0.00 C ATOM 1343 CG2 VAL A 90 -9.822 4.825 -3.770 1.00 0.00 C ATOM 0 H VAL A 90 -8.872 2.954 -1.913 1.00 0.00 H new ATOM 0 HA VAL A 90 -11.221 4.197 -0.672 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.758 5.183 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -10.365 7.196 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -11.045 6.573 -1.063 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.338 6.270 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.859 5.679 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.800 4.684 -3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -10.151 3.930 -4.297 1.00 0.00 H new ATOM 1353 N VAL A 91 -12.770 2.712 -2.031 1.00 0.00 N ATOM 1354 CA VAL A 91 -13.619 1.661 -2.562 1.00 0.00 C ATOM 1355 C VAL A 91 -14.996 2.237 -2.898 1.00 0.00 C ATOM 1356 O VAL A 91 -15.409 3.244 -2.312 1.00 0.00 O ATOM 1357 CB VAL A 91 -13.751 0.495 -1.547 1.00 0.00 C ATOM 1358 CG1 VAL A 91 -14.513 0.929 -0.302 1.00 0.00 C ATOM 1359 CG2 VAL A 91 -14.405 -0.721 -2.185 1.00 0.00 C ATOM 0 H VAL A 91 -13.275 3.442 -1.528 1.00 0.00 H new ATOM 0 HA VAL A 91 -13.165 1.265 -3.470 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.743 0.212 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -14.588 0.090 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -13.984 1.750 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -15.513 1.258 -0.584 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.483 -1.521 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -15.401 -0.455 -2.539 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.800 -1.060 -3.026 1.00 0.00 H new ATOM 1369 N ASP A 92 -15.688 1.625 -3.853 1.00 0.00 N ATOM 1370 CA ASP A 92 -17.060 2.011 -4.161 1.00 0.00 C ATOM 1371 C ASP A 92 -17.949 1.684 -2.975 1.00 0.00 C ATOM 1372 O ASP A 92 -17.979 0.546 -2.519 1.00 0.00 O ATOM 1373 CB ASP A 92 -17.585 1.266 -5.394 1.00 0.00 C ATOM 1374 CG ASP A 92 -16.931 1.709 -6.685 1.00 0.00 C ATOM 1375 OD1 ASP A 92 -17.293 2.786 -7.198 1.00 0.00 O ATOM 1376 OD2 ASP A 92 -16.075 0.964 -7.208 1.00 0.00 O ATOM 0 H ASP A 92 -15.323 0.863 -4.425 1.00 0.00 H new ATOM 0 HA ASP A 92 -17.074 3.081 -4.370 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -17.422 0.197 -5.260 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -18.662 1.417 -5.470 1.00 0.00 H new ATOM 1381 N PRO A 93 -18.691 2.681 -2.464 1.00 0.00 N ATOM 1382 CA PRO A 93 -19.565 2.508 -1.294 1.00 0.00 C ATOM 1383 C PRO A 93 -20.613 1.422 -1.513 1.00 0.00 C ATOM 1384 O PRO A 93 -21.110 0.821 -0.565 1.00 0.00 O ATOM 1385 CB PRO A 93 -20.232 3.877 -1.133 1.00 0.00 C ATOM 1386 CG PRO A 93 -19.335 4.831 -1.844 1.00 0.00 C ATOM 1387 CD PRO A 93 -18.730 4.058 -2.982 1.00 0.00 C ATOM 0 HA PRO A 93 -19.007 2.192 -0.413 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -21.233 3.881 -1.564 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -20.337 4.143 -0.081 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -19.893 5.693 -2.210 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -18.562 5.212 -1.176 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -19.334 4.132 -3.886 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -17.734 4.423 -3.233 1.00 0.00 H new ATOM 1395 N GLU A 94 -20.936 1.177 -2.776 1.00 0.00 N ATOM 1396 CA GLU A 94 -21.872 0.126 -3.145 1.00 0.00 C ATOM 1397 C GLU A 94 -21.225 -1.245 -2.956 1.00 0.00 C ATOM 1398 O GLU A 94 -21.846 -2.178 -2.443 1.00 0.00 O ATOM 1399 CB GLU A 94 -22.306 0.322 -4.594 1.00 0.00 C ATOM 1400 CG GLU A 94 -22.771 1.740 -4.877 1.00 0.00 C ATOM 1401 CD GLU A 94 -23.104 1.976 -6.332 1.00 0.00 C ATOM 1402 OE1 GLU A 94 -22.420 1.403 -7.207 1.00 0.00 O ATOM 1403 OE2 GLU A 94 -24.034 2.760 -6.608 1.00 0.00 O ATOM 0 H GLU A 94 -20.559 1.698 -3.568 1.00 0.00 H new ATOM 0 HA GLU A 94 -22.751 0.178 -2.502 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -21.474 0.077 -5.255 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -23.112 -0.374 -4.825 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -23.650 1.956 -4.270 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -21.993 2.439 -4.571 1.00 0.00 H new ATOM 1410 N THR A 95 -19.971 -1.356 -3.382 1.00 0.00 N ATOM 1411 CA THR A 95 -19.188 -2.568 -3.181 1.00 0.00 C ATOM 1412 C THR A 95 -18.794 -2.711 -1.709 1.00 0.00 C ATOM 1413 O THR A 95 -18.626 -3.817 -1.201 1.00 0.00 O ATOM 1414 CB THR A 95 -17.920 -2.553 -4.060 1.00 0.00 C ATOM 1415 OG1 THR A 95 -18.280 -2.236 -5.412 1.00 0.00 O ATOM 1416 CG2 THR A 95 -17.209 -3.899 -4.031 1.00 0.00 C ATOM 0 H THR A 95 -19.473 -0.614 -3.873 1.00 0.00 H new ATOM 0 HA THR A 95 -19.804 -3.419 -3.470 1.00 0.00 H new ATOM 0 HB THR A 95 -17.241 -1.798 -3.663 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.475 -2.225 -5.971 1.00 0.00 H new ATOM 0 HG21 THR A 95 -16.320 -3.855 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 95 -16.918 -4.135 -3.007 1.00 0.00 H new ATOM 0 HG23 THR A 95 -17.880 -4.673 -4.405 1.00 0.00 H new ATOM 1424 N ASP A 96 -18.680 -1.573 -1.035 1.00 0.00 N ATOM 1425 CA ASP A 96 -18.274 -1.513 0.368 1.00 0.00 C ATOM 1426 C ASP A 96 -19.213 -2.321 1.256 1.00 0.00 C ATOM 1427 O ASP A 96 -18.764 -3.081 2.116 1.00 0.00 O ATOM 1428 CB ASP A 96 -18.252 -0.050 0.818 1.00 0.00 C ATOM 1429 CG ASP A 96 -18.050 0.117 2.307 1.00 0.00 C ATOM 1430 OD1 ASP A 96 -19.061 0.153 3.041 1.00 0.00 O ATOM 1431 OD2 ASP A 96 -16.891 0.255 2.739 1.00 0.00 O ATOM 0 H ASP A 96 -18.867 -0.659 -1.447 1.00 0.00 H new ATOM 0 HA ASP A 96 -17.279 -1.948 0.462 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -17.455 0.473 0.290 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -19.190 0.425 0.530 1.00 0.00 H new ATOM 1436 N GLU A 97 -20.514 -2.180 1.022 1.00 0.00 N ATOM 1437 CA GLU A 97 -21.505 -2.946 1.768 1.00 0.00 C ATOM 1438 C GLU A 97 -21.269 -4.445 1.577 1.00 0.00 C ATOM 1439 O GLU A 97 -21.338 -5.220 2.531 1.00 0.00 O ATOM 1440 CB GLU A 97 -22.922 -2.567 1.331 1.00 0.00 C ATOM 1441 CG GLU A 97 -24.006 -3.344 2.059 1.00 0.00 C ATOM 1442 CD GLU A 97 -25.401 -2.880 1.705 1.00 0.00 C ATOM 1443 OE1 GLU A 97 -25.913 -3.267 0.634 1.00 0.00 O ATOM 1444 OE2 GLU A 97 -26.004 -2.137 2.508 1.00 0.00 O ATOM 0 H GLU A 97 -20.905 -1.546 0.325 1.00 0.00 H new ATOM 0 HA GLU A 97 -21.400 -2.708 2.827 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -23.074 -1.501 1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -23.021 -2.737 0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -23.909 -4.403 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -23.857 -3.245 3.134 1.00 0.00 H new ATOM 1451 N GLN A 98 -20.959 -4.838 0.345 1.00 0.00 N ATOM 1452 CA GLN A 98 -20.661 -6.231 0.036 1.00 0.00 C ATOM 1453 C GLN A 98 -19.411 -6.682 0.785 1.00 0.00 C ATOM 1454 O GLN A 98 -19.342 -7.804 1.281 1.00 0.00 O ATOM 1455 CB GLN A 98 -20.461 -6.416 -1.469 1.00 0.00 C ATOM 1456 CG GLN A 98 -20.296 -7.868 -1.888 1.00 0.00 C ATOM 1457 CD GLN A 98 -21.550 -8.684 -1.655 1.00 0.00 C ATOM 1458 OE1 GLN A 98 -21.751 -9.255 -0.582 1.00 0.00 O ATOM 1459 NE2 GLN A 98 -22.406 -8.738 -2.659 1.00 0.00 N ATOM 0 H GLN A 98 -20.908 -4.209 -0.456 1.00 0.00 H new ATOM 0 HA GLN A 98 -21.506 -6.842 0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -21.315 -5.990 -1.995 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -19.581 -5.854 -1.782 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -20.030 -7.910 -2.944 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -19.469 -8.311 -1.333 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -22.201 -8.250 -3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -23.273 -9.267 -2.562 1.00 0.00 H new ATOM 1468 N LEU A 99 -18.427 -5.797 0.867 1.00 0.00 N ATOM 1469 CA LEU A 99 -17.176 -6.109 1.545 1.00 0.00 C ATOM 1470 C LEU A 99 -17.434 -6.412 3.016 1.00 0.00 C ATOM 1471 O LEU A 99 -16.908 -7.380 3.565 1.00 0.00 O ATOM 1472 CB LEU A 99 -16.181 -4.956 1.426 1.00 0.00 C ATOM 1473 CG LEU A 99 -15.851 -4.500 0.003 1.00 0.00 C ATOM 1474 CD1 LEU A 99 -14.478 -3.871 -0.018 1.00 0.00 C ATOM 1475 CD2 LEU A 99 -15.923 -5.651 -0.990 1.00 0.00 C ATOM 0 H LEU A 99 -18.471 -4.857 0.473 1.00 0.00 H new ATOM 0 HA LEU A 99 -16.746 -6.987 1.064 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.576 -4.103 1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.253 -5.251 1.916 1.00 0.00 H new ATOM 0 HG LEU A 99 -16.596 -3.765 -0.301 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -14.242 -3.546 -1.031 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -14.461 -3.011 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -13.738 -4.601 0.310 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -15.682 -5.286 -1.988 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -15.209 -6.423 -0.704 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -16.930 -6.069 -0.990 1.00 0.00 H new ATOM 1487 N GLN A 100 -18.259 -5.577 3.639 1.00 0.00 N ATOM 1488 CA GLN A 100 -18.660 -5.778 5.026 1.00 0.00 C ATOM 1489 C GLN A 100 -19.402 -7.101 5.187 1.00 0.00 C ATOM 1490 O GLN A 100 -19.301 -7.761 6.220 1.00 0.00 O ATOM 1491 CB GLN A 100 -19.537 -4.618 5.501 1.00 0.00 C ATOM 1492 CG GLN A 100 -18.779 -3.306 5.652 1.00 0.00 C ATOM 1493 CD GLN A 100 -17.775 -3.329 6.790 1.00 0.00 C ATOM 1494 OE1 GLN A 100 -18.089 -4.062 7.849 1.00 0.00 O flip ATOM 1495 NE2 GLN A 100 -16.736 -2.676 6.734 1.00 0.00 N flip ATOM 0 H GLN A 100 -18.665 -4.750 3.202 1.00 0.00 H new ATOM 0 HA GLN A 100 -17.760 -5.811 5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -20.354 -4.477 4.793 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -19.986 -4.881 6.459 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -18.259 -3.084 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -19.491 -2.498 5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -16.526 -2.123 5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -16.084 -2.687 7.518 1.00 0.00 H new ATOM 1504 N LYS A 101 -20.164 -7.467 4.163 1.00 0.00 N ATOM 1505 CA LYS A 101 -20.886 -8.733 4.152 1.00 0.00 C ATOM 1506 C LYS A 101 -19.929 -9.922 4.142 1.00 0.00 C ATOM 1507 O LYS A 101 -20.139 -10.904 4.855 1.00 0.00 O ATOM 1508 CB LYS A 101 -21.812 -8.807 2.933 1.00 0.00 C ATOM 1509 CG LYS A 101 -23.009 -7.869 3.007 1.00 0.00 C ATOM 1510 CD LYS A 101 -23.979 -8.294 4.098 1.00 0.00 C ATOM 1511 CE LYS A 101 -24.491 -9.702 3.852 1.00 0.00 C ATOM 1512 NZ LYS A 101 -25.403 -10.166 4.928 1.00 0.00 N ATOM 0 H LYS A 101 -20.298 -6.901 3.325 1.00 0.00 H new ATOM 0 HA LYS A 101 -21.481 -8.780 5.064 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -21.236 -8.574 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -22.171 -9.830 2.824 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -22.666 -6.853 3.199 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -23.523 -7.856 2.046 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -23.484 -8.247 5.068 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -24.818 -7.599 4.135 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -25.014 -9.734 2.896 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -23.645 -10.386 3.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -25.727 -11.131 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -24.898 -10.161 5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -26.224 -9.530 4.985 1.00 0.00 H new ATOM 1526 N LEU A 102 -18.879 -9.837 3.333 1.00 0.00 N ATOM 1527 CA LEU A 102 -17.932 -10.941 3.209 1.00 0.00 C ATOM 1528 C LEU A 102 -17.010 -10.989 4.426 1.00 0.00 C ATOM 1529 O LEU A 102 -16.682 -12.066 4.927 1.00 0.00 O ATOM 1530 CB LEU A 102 -17.108 -10.830 1.921 1.00 0.00 C ATOM 1531 CG LEU A 102 -17.899 -10.524 0.637 1.00 0.00 C ATOM 1532 CD1 LEU A 102 -17.050 -10.800 -0.596 1.00 0.00 C ATOM 1533 CD2 LEU A 102 -19.193 -11.323 0.573 1.00 0.00 C ATOM 0 H LEU A 102 -18.662 -9.023 2.758 1.00 0.00 H new ATOM 0 HA LEU A 102 -18.504 -11.868 3.161 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -16.360 -10.049 2.058 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -16.568 -11.766 1.777 1.00 0.00 H new ATOM 0 HG LEU A 102 -18.158 -9.465 0.658 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -17.628 -10.577 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -16.160 -10.172 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -16.754 -11.849 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -19.725 -11.081 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -18.964 -12.389 0.590 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -19.818 -11.072 1.430 1.00 0.00 H new ATOM 1545 N GLY A 103 -16.594 -9.813 4.890 1.00 0.00 N ATOM 1546 CA GLY A 103 -15.868 -9.712 6.147 1.00 0.00 C ATOM 1547 C GLY A 103 -14.387 -10.023 6.029 1.00 0.00 C ATOM 1548 O GLY A 103 -13.662 -9.972 7.023 1.00 0.00 O ATOM 0 H GLY A 103 -16.747 -8.923 4.415 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.987 -8.704 6.544 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.316 -10.394 6.870 1.00 0.00 H new ATOM 1552 N VAL A 104 -13.933 -10.341 4.825 1.00 0.00 N ATOM 1553 CA VAL A 104 -12.533 -10.686 4.602 1.00 0.00 C ATOM 1554 C VAL A 104 -11.628 -9.476 4.840 1.00 0.00 C ATOM 1555 O VAL A 104 -11.939 -8.358 4.426 1.00 0.00 O ATOM 1556 CB VAL A 104 -12.312 -11.232 3.173 1.00 0.00 C ATOM 1557 CG1 VAL A 104 -10.864 -11.651 2.964 1.00 0.00 C ATOM 1558 CG2 VAL A 104 -13.251 -12.398 2.897 1.00 0.00 C ATOM 0 H VAL A 104 -14.513 -10.368 3.986 1.00 0.00 H new ATOM 0 HA VAL A 104 -12.272 -11.467 5.316 1.00 0.00 H new ATOM 0 HB VAL A 104 -12.535 -10.431 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.738 -12.031 1.950 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -10.211 -10.791 3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.604 -12.432 3.679 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -13.082 -12.770 1.887 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -13.060 -13.196 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -14.284 -12.064 2.992 1.00 0.00 H new ATOM 1568 N GLN A 105 -10.504 -9.712 5.513 1.00 0.00 N ATOM 1569 CA GLN A 105 -9.563 -8.651 5.862 1.00 0.00 C ATOM 1570 C GLN A 105 -8.689 -8.285 4.663 1.00 0.00 C ATOM 1571 O GLN A 105 -7.459 -8.303 4.736 1.00 0.00 O ATOM 1572 CB GLN A 105 -8.677 -9.080 7.036 1.00 0.00 C ATOM 1573 CG GLN A 105 -9.433 -9.407 8.318 1.00 0.00 C ATOM 1574 CD GLN A 105 -9.985 -10.821 8.355 1.00 0.00 C ATOM 1575 OE1 GLN A 105 -9.297 -11.759 8.757 1.00 0.00 O ATOM 1576 NE2 GLN A 105 -11.237 -10.984 7.964 1.00 0.00 N ATOM 0 H GLN A 105 -10.221 -10.639 5.830 1.00 0.00 H new ATOM 0 HA GLN A 105 -10.141 -7.775 6.156 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.100 -9.955 6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -7.963 -8.283 7.245 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -8.767 -9.264 9.169 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -10.256 -8.702 8.435 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -11.777 -10.183 7.637 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -11.663 -11.911 7.990 1.00 0.00 H new ATOM 1585 N VAL A 106 -9.340 -7.945 3.563 1.00 0.00 N ATOM 1586 CA VAL A 106 -8.663 -7.670 2.303 1.00 0.00 C ATOM 1587 C VAL A 106 -8.119 -6.238 2.247 1.00 0.00 C ATOM 1588 O VAL A 106 -7.461 -5.857 1.283 1.00 0.00 O ATOM 1589 CB VAL A 106 -9.634 -7.902 1.120 1.00 0.00 C ATOM 1590 CG1 VAL A 106 -10.679 -6.795 1.046 1.00 0.00 C ATOM 1591 CG2 VAL A 106 -8.886 -8.039 -0.198 1.00 0.00 C ATOM 0 H VAL A 106 -10.355 -7.851 3.517 1.00 0.00 H new ATOM 0 HA VAL A 106 -7.817 -8.353 2.229 1.00 0.00 H new ATOM 0 HB VAL A 106 -10.153 -8.844 1.300 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -11.348 -6.982 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -11.254 -6.775 1.972 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -10.182 -5.835 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -9.599 -8.201 -1.006 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -8.319 -7.128 -0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -8.203 -8.886 -0.142 1.00 0.00 H new ATOM 1601 N ARG A 107 -8.380 -5.449 3.280 1.00 0.00 N ATOM 1602 CA ARG A 107 -8.052 -4.028 3.226 1.00 0.00 C ATOM 1603 C ARG A 107 -6.551 -3.773 3.317 1.00 0.00 C ATOM 1604 O ARG A 107 -6.011 -3.000 2.539 1.00 0.00 O ATOM 1605 CB ARG A 107 -8.736 -3.251 4.350 1.00 0.00 C ATOM 1606 CG ARG A 107 -10.238 -3.451 4.455 1.00 0.00 C ATOM 1607 CD ARG A 107 -10.822 -2.520 5.507 1.00 0.00 C ATOM 1608 NE ARG A 107 -9.943 -2.408 6.671 1.00 0.00 N ATOM 1609 CZ ARG A 107 -9.912 -1.359 7.494 1.00 0.00 C ATOM 1610 NH1 ARG A 107 -10.796 -0.373 7.367 1.00 0.00 N ATOM 1611 NH2 ARG A 107 -8.995 -1.304 8.448 1.00 0.00 N ATOM 0 H ARG A 107 -8.810 -5.759 4.151 1.00 0.00 H new ATOM 0 HA ARG A 107 -8.415 -3.681 2.258 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -8.280 -3.538 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -8.536 -2.189 4.209 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -10.706 -3.259 3.489 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -10.457 -4.487 4.715 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -10.980 -1.533 5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -11.798 -2.891 5.821 1.00 0.00 H new ATOM 0 HE ARG A 107 -9.311 -3.185 6.866 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -11.505 -0.415 6.635 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -10.764 0.425 8.001 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -8.319 -2.061 8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -8.965 -0.505 9.081 1.00 0.00 H new ATOM 1625 N GLU A 108 -5.878 -4.423 4.258 1.00 0.00 N ATOM 1626 CA GLU A 108 -4.508 -4.044 4.588 1.00 0.00 C ATOM 1627 C GLU A 108 -3.471 -5.052 4.109 1.00 0.00 C ATOM 1628 O GLU A 108 -2.591 -4.712 3.322 1.00 0.00 O ATOM 1629 CB GLU A 108 -4.367 -3.839 6.096 1.00 0.00 C ATOM 1630 CG GLU A 108 -5.406 -2.888 6.664 1.00 0.00 C ATOM 1631 CD GLU A 108 -6.589 -3.611 7.292 1.00 0.00 C ATOM 1632 OE1 GLU A 108 -7.031 -4.645 6.744 1.00 0.00 O ATOM 1633 OE2 GLU A 108 -7.090 -3.141 8.337 1.00 0.00 O ATOM 0 H GLU A 108 -6.250 -5.203 4.799 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.311 -3.111 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -4.452 -4.803 6.598 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -3.371 -3.453 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.937 -2.250 7.413 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.766 -2.234 5.870 1.00 0.00 H new ATOM 1640 N GLU A 109 -3.551 -6.285 4.595 1.00 0.00 N ATOM 1641 CA GLU A 109 -2.536 -7.283 4.273 1.00 0.00 C ATOM 1642 C GLU A 109 -2.542 -7.634 2.789 1.00 0.00 C ATOM 1643 O GLU A 109 -1.513 -7.999 2.232 1.00 0.00 O ATOM 1644 CB GLU A 109 -2.686 -8.536 5.142 1.00 0.00 C ATOM 1645 CG GLU A 109 -2.396 -8.271 6.613 1.00 0.00 C ATOM 1646 CD GLU A 109 -2.109 -9.534 7.399 1.00 0.00 C ATOM 1647 OE1 GLU A 109 -0.930 -9.956 7.443 1.00 0.00 O ATOM 1648 OE2 GLU A 109 -3.051 -10.101 7.987 1.00 0.00 O ATOM 0 H GLU A 109 -4.298 -6.616 5.206 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.566 -6.840 4.499 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -3.699 -8.924 5.040 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -2.010 -9.309 4.777 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.542 -7.598 6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -3.249 -7.759 7.059 1.00 0.00 H new ATOM 1655 N LEU A 110 -3.693 -7.496 2.142 1.00 0.00 N ATOM 1656 CA LEU A 110 -3.784 -7.720 0.702 1.00 0.00 C ATOM 1657 C LEU A 110 -3.006 -6.628 -0.037 1.00 0.00 C ATOM 1658 O LEU A 110 -2.451 -6.860 -1.112 1.00 0.00 O ATOM 1659 CB LEU A 110 -5.259 -7.754 0.270 1.00 0.00 C ATOM 1660 CG LEU A 110 -5.554 -8.257 -1.154 1.00 0.00 C ATOM 1661 CD1 LEU A 110 -5.358 -7.153 -2.184 1.00 0.00 C ATOM 1662 CD2 LEU A 110 -4.690 -9.467 -1.487 1.00 0.00 C ATOM 0 H LEU A 110 -4.572 -7.232 2.587 1.00 0.00 H new ATOM 0 HA LEU A 110 -3.341 -8.683 0.448 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -5.804 -8.384 0.973 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.664 -6.747 0.365 1.00 0.00 H new ATOM 0 HG LEU A 110 -6.600 -8.561 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -5.574 -7.541 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.032 -6.325 -1.963 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -4.327 -6.801 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.914 -9.807 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.637 -9.191 -1.422 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.899 -10.269 -0.780 1.00 0.00 H new ATOM 1850 N THR B 3 -13.569 20.785 0.941 1.00 0.00 N ATOM 1851 CA THR B 3 -12.166 21.184 1.030 1.00 0.00 C ATOM 1852 C THR B 3 -11.318 20.550 -0.079 1.00 0.00 C ATOM 1853 O THR B 3 -11.476 19.369 -0.393 1.00 0.00 O ATOM 1854 CB THR B 3 -11.597 20.771 2.400 1.00 0.00 C ATOM 1855 OG1 THR B 3 -12.572 21.031 3.426 1.00 0.00 O ATOM 1856 CG2 THR B 3 -10.316 21.531 2.713 1.00 0.00 C ATOM 0 HA THR B 3 -12.123 22.267 0.910 1.00 0.00 H new ATOM 0 HB THR B 3 -11.366 19.706 2.368 1.00 0.00 H new ATOM 0 HG1 THR B 3 -13.463 21.092 3.023 1.00 0.00 H new ATOM 0 HG21 THR B 3 -9.937 21.219 3.686 1.00 0.00 H new ATOM 0 HG22 THR B 3 -9.570 21.318 1.947 1.00 0.00 H new ATOM 0 HG23 THR B 3 -10.523 22.601 2.730 1.00 0.00 H new ATOM 1864 N ARG B 4 -10.420 21.336 -0.665 1.00 0.00 N ATOM 1865 CA ARG B 4 -9.539 20.834 -1.710 1.00 0.00 C ATOM 1866 C ARG B 4 -8.290 20.215 -1.098 1.00 0.00 C ATOM 1867 O ARG B 4 -7.740 20.733 -0.125 1.00 0.00 O ATOM 1868 CB ARG B 4 -9.118 21.957 -2.662 1.00 0.00 C ATOM 1869 CG ARG B 4 -8.301 21.464 -3.850 1.00 0.00 C ATOM 1870 CD ARG B 4 -7.435 22.564 -4.446 1.00 0.00 C ATOM 1871 NE ARG B 4 -8.214 23.706 -4.925 1.00 0.00 N ATOM 1872 CZ ARG B 4 -7.804 24.525 -5.890 1.00 0.00 C ATOM 1873 NH1 ARG B 4 -6.680 24.269 -6.544 1.00 0.00 N ATOM 1874 NH2 ARG B 4 -8.532 25.586 -6.216 1.00 0.00 N ATOM 0 H ARG B 4 -10.285 22.320 -0.434 1.00 0.00 H new ATOM 0 HA ARG B 4 -10.090 20.079 -2.270 1.00 0.00 H new ATOM 0 HB2 ARG B 4 -10.009 22.466 -3.029 1.00 0.00 H new ATOM 0 HB3 ARG B 4 -8.535 22.693 -2.109 1.00 0.00 H new ATOM 0 HG2 ARG B 4 -7.667 20.635 -3.534 1.00 0.00 H new ATOM 0 HG3 ARG B 4 -8.973 21.077 -4.616 1.00 0.00 H new ATOM 0 HD2 ARG B 4 -6.723 22.906 -3.695 1.00 0.00 H new ATOM 0 HD3 ARG B 4 -6.854 22.154 -5.273 1.00 0.00 H new ATOM 0 HE ARG B 4 -9.122 23.884 -4.495 1.00 0.00 H new ATOM 0 HH11 ARG B 4 -6.129 23.444 -6.308 1.00 0.00 H new ATOM 0 HH12 ARG B 4 -6.366 24.897 -7.284 1.00 0.00 H new ATOM 0 HH21 ARG B 4 -9.407 25.774 -5.726 1.00 0.00 H new ATOM 0 HH22 ARG B 4 -8.217 26.213 -6.956 1.00 0.00 H new ATOM 1888 N LEU B 5 -7.860 19.104 -1.663 1.00 0.00 N ATOM 1889 CA LEU B 5 -6.617 18.474 -1.265 1.00 0.00 C ATOM 1890 C LEU B 5 -5.534 18.799 -2.278 1.00 0.00 C ATOM 1891 O LEU B 5 -4.649 19.610 -1.952 1.00 0.00 O ATOM 1892 CB LEU B 5 -6.787 16.960 -1.137 1.00 0.00 C ATOM 1893 CG LEU B 5 -7.351 16.466 0.199 1.00 0.00 C ATOM 1894 CD1 LEU B 5 -6.461 16.911 1.347 1.00 0.00 C ATOM 1895 CD2 LEU B 5 -8.773 16.958 0.406 1.00 0.00 C ATOM 1896 OXT LEU B 5 -5.590 18.258 -3.403 1.00 0.00 O ATOM 0 H LEU B 5 -8.359 18.615 -2.406 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.326 18.862 -0.289 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -7.444 16.618 -1.937 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.817 16.489 -1.298 1.00 0.00 H new ATOM 0 HG LEU B 5 -7.372 15.376 0.176 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -6.876 16.552 2.289 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -5.460 16.501 1.211 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -6.408 18.000 1.365 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -9.149 16.593 1.362 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -8.785 18.048 0.404 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -9.407 16.587 -0.399 1.00 0.00 H new