USER MOD reduce.3.24.130724 H: found=0, std=0, add=881, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 884 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 18 CYS SG : rot 125:sc= 0.0849 USER MOD Set 1.2: A 73 TYR OH : rot 180:sc= 0.0808 USER MOD Set 1.3: A 121 CYS SG : rot 81:sc= 0.728 USER MOD Single : A 10 TYR OH : rot -140:sc= -1.11 USER MOD Single : A 11 THR OG1 : rot 120:sc= -0.0712 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 42 CYS SG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 63:sc= 0.864 USER MOD Single : A 50 THR OG1 : rot 78:sc= 0.642 USER MOD Single : A 57 THR OG1 : rot -57:sc= 1.27 USER MOD Single : A 69 SER OG : rot 34:sc= 0.00297 USER MOD Single : A 77 THR OG1 : rot 90:sc= 1.05 USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 88:sc= 0.957 USER MOD Single : A 84 SER OG : rot 180:sc=-0.00314 USER MOD Single : A 88 THR OG1 : rot 85:sc= 1.1 USER MOD Single : A 93 ASN : amide:sc= -0.375 K(o=-0.37,f=-1.9) USER MOD Single : A 116 MET CE :methyl 166:sc= -3.06 (180deg=-4.61!) USER MOD Single : A 125 THR OG1 : rot 89:sc= 1.34 USER MOD ----------------------------------------------------------------- ATOM 64 N LEU A 8 -9.140 -9.009 -1.805 1.00 22.22 N ATOM 65 CA LEU A 8 -9.673 -10.287 -1.347 1.00 33.44 C ATOM 66 C LEU A 8 -8.546 -11.255 -0.999 1.00 53.15 C ATOM 67 O LEU A 8 -8.651 -12.032 -0.050 1.00 74.14 O ATOM 68 CB LEU A 8 -10.575 -10.900 -2.420 1.00 24.42 C ATOM 69 CG LEU A 8 -11.637 -11.882 -1.924 1.00 0.13 C ATOM 70 CD1 LEU A 8 -10.984 -13.130 -1.350 1.00 73.01 C ATOM 71 CD2 LEU A 8 -12.531 -11.220 -0.885 1.00 70.12 C ATOM 0 HA LEU A 8 -10.261 -10.106 -0.447 1.00 33.44 H new ATOM 0 HB2 LEU A 8 -11.077 -10.090 -2.950 1.00 24.42 H new ATOM 0 HB3 LEU A 8 -9.945 -11.414 -3.146 1.00 24.42 H new ATOM 0 HG LEU A 8 -12.255 -12.178 -2.772 1.00 0.13 H new ATOM 0 HD11 LEU A 8 -11.755 -13.817 -1.002 1.00 73.01 H new ATOM 0 HD12 LEU A 8 -10.387 -13.616 -2.122 1.00 73.01 H new ATOM 0 HD13 LEU A 8 -10.341 -12.853 -0.514 1.00 73.01 H new ATOM 0 HD21 LEU A 8 -13.281 -11.933 -0.543 1.00 70.12 H new ATOM 0 HD22 LEU A 8 -11.926 -10.895 -0.038 1.00 70.12 H new ATOM 0 HD23 LEU A 8 -13.027 -10.357 -1.329 1.00 70.12 H new ATOM 83 N PHE A 9 -7.467 -11.200 -1.773 1.00 73.33 N ATOM 84 CA PHE A 9 -6.319 -12.071 -1.547 1.00 55.11 C ATOM 85 C PHE A 9 -5.861 -11.999 -0.094 1.00 24.34 C ATOM 86 O PHE A 9 -5.362 -12.979 0.460 1.00 24.23 O ATOM 87 CB PHE A 9 -5.168 -11.684 -2.477 1.00 3.30 C ATOM 88 CG PHE A 9 -3.813 -11.818 -1.842 1.00 33.41 C ATOM 89 CD1 PHE A 9 -3.275 -13.069 -1.584 1.00 75.05 C ATOM 90 CD2 PHE A 9 -3.078 -10.694 -1.502 1.00 32.13 C ATOM 91 CE1 PHE A 9 -2.029 -13.197 -1.000 1.00 52.55 C ATOM 92 CE2 PHE A 9 -1.831 -10.815 -0.918 1.00 34.41 C ATOM 93 CZ PHE A 9 -1.307 -12.068 -0.666 1.00 23.12 C ATOM 0 H PHE A 9 -7.363 -10.562 -2.562 1.00 73.33 H new ATOM 0 HA PHE A 9 -6.622 -13.095 -1.764 1.00 55.11 H new ATOM 0 HB2 PHE A 9 -5.206 -12.310 -3.369 1.00 3.30 H new ATOM 0 HB3 PHE A 9 -5.307 -10.654 -2.804 1.00 3.30 H new ATOM 0 HD1 PHE A 9 -3.836 -13.955 -1.843 1.00 75.05 H new ATOM 0 HD2 PHE A 9 -3.484 -9.712 -1.695 1.00 32.13 H new ATOM 0 HE1 PHE A 9 -1.621 -14.178 -0.805 1.00 52.55 H new ATOM 0 HE2 PHE A 9 -1.267 -9.931 -0.659 1.00 34.41 H new ATOM 0 HZ PHE A 9 -0.334 -12.165 -0.208 1.00 23.12 H new ATOM 103 N TYR A 10 -6.033 -10.833 0.518 1.00 43.32 N ATOM 104 CA TYR A 10 -5.634 -10.631 1.906 1.00 71.12 C ATOM 105 C TYR A 10 -6.636 -11.274 2.859 1.00 33.24 C ATOM 106 O TYR A 10 -6.267 -11.781 3.919 1.00 30.13 O ATOM 107 CB TYR A 10 -5.509 -9.137 2.211 1.00 72.43 C ATOM 108 CG TYR A 10 -4.160 -8.744 2.767 1.00 4.30 C ATOM 109 CD1 TYR A 10 -2.986 -9.111 2.121 1.00 23.44 C ATOM 110 CD2 TYR A 10 -4.059 -8.003 3.938 1.00 4.23 C ATOM 111 CE1 TYR A 10 -1.751 -8.754 2.627 1.00 64.53 C ATOM 112 CE2 TYR A 10 -2.828 -7.640 4.450 1.00 23.11 C ATOM 113 CZ TYR A 10 -1.677 -8.019 3.791 1.00 3.31 C ATOM 114 OH TYR A 10 -0.448 -7.660 4.297 1.00 53.11 O ATOM 0 H TYR A 10 -6.446 -10.013 0.075 1.00 43.32 H new ATOM 0 HA TYR A 10 -4.664 -11.107 2.052 1.00 71.12 H new ATOM 0 HB2 TYR A 10 -5.695 -8.571 1.298 1.00 72.43 H new ATOM 0 HB3 TYR A 10 -6.283 -8.854 2.924 1.00 72.43 H new ATOM 0 HD1 TYR A 10 -3.040 -9.685 1.208 1.00 23.44 H new ATOM 0 HD2 TYR A 10 -4.958 -7.706 4.457 1.00 4.23 H new ATOM 0 HE1 TYR A 10 -0.848 -9.049 2.113 1.00 64.53 H new ATOM 0 HE2 TYR A 10 -2.767 -7.063 5.361 1.00 23.11 H new ATOM 0 HH TYR A 10 -0.458 -7.747 5.273 1.00 53.11 H new ATOM 124 N THR A 11 -7.909 -11.250 2.475 1.00 63.44 N ATOM 125 CA THR A 11 -8.966 -11.830 3.294 1.00 41.24 C ATOM 126 C THR A 11 -8.813 -13.343 3.398 1.00 13.15 C ATOM 127 O THR A 11 -9.172 -13.943 4.412 1.00 62.30 O ATOM 128 CB THR A 11 -10.360 -11.504 2.725 1.00 43.13 C ATOM 129 OG1 THR A 11 -10.781 -10.210 3.170 1.00 5.15 O ATOM 130 CG2 THR A 11 -11.378 -12.550 3.154 1.00 5.33 C ATOM 0 H THR A 11 -8.233 -10.835 1.601 1.00 63.44 H new ATOM 0 HA THR A 11 -8.875 -11.389 4.287 1.00 41.24 H new ATOM 0 HB THR A 11 -10.294 -11.509 1.637 1.00 43.13 H new ATOM 0 HG1 THR A 11 -10.931 -9.630 2.394 1.00 5.15 H new ATOM 0 HG21 THR A 11 -12.355 -12.298 2.740 1.00 5.33 H new ATOM 0 HG22 THR A 11 -11.070 -13.529 2.788 1.00 5.33 H new ATOM 0 HG23 THR A 11 -11.440 -12.573 4.242 1.00 5.33 H new ATOM 138 N ILE A 12 -8.279 -13.953 2.346 1.00 31.31 N ATOM 139 CA ILE A 12 -8.078 -15.397 2.322 1.00 42.33 C ATOM 140 C ILE A 12 -6.797 -15.786 3.053 1.00 15.42 C ATOM 141 O ILE A 12 -6.680 -16.895 3.572 1.00 2.44 O ATOM 142 CB ILE A 12 -8.014 -15.932 0.879 1.00 12.00 C ATOM 143 CG1 ILE A 12 -9.164 -15.359 0.048 1.00 2.40 C ATOM 144 CG2 ILE A 12 -8.058 -17.453 0.876 1.00 53.31 C ATOM 145 CD1 ILE A 12 -10.532 -15.770 0.545 1.00 52.41 C ATOM 0 H ILE A 12 -7.978 -13.471 1.499 1.00 31.31 H new ATOM 0 HA ILE A 12 -8.933 -15.843 2.829 1.00 42.33 H new ATOM 0 HB ILE A 12 -7.073 -15.614 0.430 1.00 12.00 H new ATOM 0 HG12 ILE A 12 -9.097 -14.271 0.051 1.00 2.40 H new ATOM 0 HG13 ILE A 12 -9.050 -15.682 -0.987 1.00 2.40 H new ATOM 0 HG21 ILE A 12 -8.012 -17.816 -0.151 1.00 53.31 H new ATOM 0 HG22 ILE A 12 -7.209 -17.843 1.437 1.00 53.31 H new ATOM 0 HG23 ILE A 12 -8.985 -17.791 1.339 1.00 53.31 H new ATOM 0 HD11 ILE A 12 -11.298 -15.327 -0.091 1.00 52.41 H new ATOM 0 HD12 ILE A 12 -10.619 -16.856 0.516 1.00 52.41 H new ATOM 0 HD13 ILE A 12 -10.666 -15.423 1.570 1.00 52.41 H new ATOM 157 N ASN A 13 -5.841 -14.864 3.091 1.00 2.32 N ATOM 158 CA ASN A 13 -4.569 -15.110 3.761 1.00 44.45 C ATOM 159 C ASN A 13 -4.728 -15.033 5.276 1.00 64.21 C ATOM 160 O ASN A 13 -3.970 -15.654 6.023 1.00 71.22 O ATOM 161 CB ASN A 13 -3.520 -14.098 3.295 1.00 43.32 C ATOM 162 CG ASN A 13 -2.112 -14.660 3.343 1.00 73.53 C ATOM 163 OD1 ASN A 13 -1.624 -15.225 2.364 1.00 41.03 O ATOM 164 ND2 ASN A 13 -1.453 -14.509 4.485 1.00 12.25 N ATOM 0 H ASN A 13 -5.923 -13.940 2.666 1.00 2.32 H new ATOM 0 HA ASN A 13 -4.237 -16.115 3.499 1.00 44.45 H new ATOM 0 HB2 ASN A 13 -3.749 -13.785 2.276 1.00 43.32 H new ATOM 0 HB3 ASN A 13 -3.574 -13.208 3.922 1.00 43.32 H new ATOM 0 HD21 ASN A 13 -0.503 -14.868 4.577 1.00 12.25 H new ATOM 0 HD22 ASN A 13 -1.897 -14.034 5.271 1.00 12.25 H new ATOM 171 N LEU A 14 -5.717 -14.268 5.724 1.00 72.55 N ATOM 172 CA LEU A 14 -5.977 -14.111 7.150 1.00 11.24 C ATOM 173 C LEU A 14 -6.997 -15.136 7.635 1.00 71.33 C ATOM 174 O LEU A 14 -6.966 -15.559 8.791 1.00 65.33 O ATOM 175 CB LEU A 14 -6.480 -12.696 7.444 1.00 71.30 C ATOM 176 CG LEU A 14 -7.978 -12.462 7.245 1.00 42.35 C ATOM 177 CD1 LEU A 14 -8.738 -12.741 8.532 1.00 60.13 C ATOM 178 CD2 LEU A 14 -8.236 -11.040 6.768 1.00 11.44 C ATOM 0 H LEU A 14 -6.352 -13.747 5.120 1.00 72.55 H new ATOM 0 HA LEU A 14 -5.042 -14.277 7.684 1.00 11.24 H new ATOM 0 HB2 LEU A 14 -6.228 -12.449 8.475 1.00 71.30 H new ATOM 0 HB3 LEU A 14 -5.936 -11.999 6.807 1.00 71.30 H new ATOM 0 HG LEU A 14 -8.336 -13.151 6.480 1.00 42.35 H new ATOM 0 HD11 LEU A 14 -9.802 -12.569 8.371 1.00 60.13 H new ATOM 0 HD12 LEU A 14 -8.579 -13.777 8.831 1.00 60.13 H new ATOM 0 HD13 LEU A 14 -8.378 -12.077 9.318 1.00 60.13 H new ATOM 0 HD21 LEU A 14 -9.307 -10.891 6.631 1.00 11.44 H new ATOM 0 HD22 LEU A 14 -7.863 -10.334 7.510 1.00 11.44 H new ATOM 0 HD23 LEU A 14 -7.723 -10.875 5.820 1.00 11.44 H new ATOM 190 N ILE A 15 -7.899 -15.533 6.743 1.00 44.01 N ATOM 191 CA ILE A 15 -8.926 -16.511 7.079 1.00 65.31 C ATOM 192 C ILE A 15 -8.352 -17.924 7.102 1.00 32.21 C ATOM 193 O ILE A 15 -8.857 -18.798 7.807 1.00 75.31 O ATOM 194 CB ILE A 15 -10.098 -16.462 6.082 1.00 52.42 C ATOM 195 CG1 ILE A 15 -11.376 -16.990 6.737 1.00 61.52 C ATOM 196 CG2 ILE A 15 -9.766 -17.264 4.833 1.00 43.14 C ATOM 197 CD1 ILE A 15 -12.177 -15.923 7.448 1.00 40.51 C ATOM 0 H ILE A 15 -7.939 -15.192 5.782 1.00 44.01 H new ATOM 0 HA ILE A 15 -9.294 -16.254 8.072 1.00 65.31 H new ATOM 0 HB ILE A 15 -10.264 -15.425 5.790 1.00 52.42 H new ATOM 0 HG12 ILE A 15 -12.001 -17.453 5.974 1.00 61.52 H new ATOM 0 HG13 ILE A 15 -11.113 -17.771 7.450 1.00 61.52 H new ATOM 0 HG21 ILE A 15 -10.605 -17.219 4.138 1.00 43.14 H new ATOM 0 HG22 ILE A 15 -8.878 -16.846 4.358 1.00 43.14 H new ATOM 0 HG23 ILE A 15 -9.577 -18.302 5.107 1.00 43.14 H new ATOM 0 HD11 ILE A 15 -13.069 -16.370 7.888 1.00 40.51 H new ATOM 0 HD12 ILE A 15 -11.569 -15.476 8.235 1.00 40.51 H new ATOM 0 HD13 ILE A 15 -12.471 -15.153 6.735 1.00 40.51 H new ATOM 209 N ILE A 16 -7.294 -18.140 6.328 1.00 3.14 N ATOM 210 CA ILE A 16 -6.650 -19.446 6.263 1.00 42.15 C ATOM 211 C ILE A 16 -6.190 -19.902 7.643 1.00 72.40 C ATOM 212 O ILE A 16 -6.582 -20.960 8.137 1.00 14.30 O ATOM 213 CB ILE A 16 -5.439 -19.429 5.310 1.00 34.43 C ATOM 214 CG1 ILE A 16 -5.880 -19.767 3.884 1.00 21.15 C ATOM 215 CG2 ILE A 16 -4.377 -20.408 5.788 1.00 45.42 C ATOM 216 CD1 ILE A 16 -6.077 -21.248 3.648 1.00 71.03 C ATOM 0 H ILE A 16 -6.865 -17.428 5.737 1.00 3.14 H new ATOM 0 HA ILE A 16 -7.393 -20.146 5.881 1.00 42.15 H new ATOM 0 HB ILE A 16 -5.009 -18.427 5.309 1.00 34.43 H new ATOM 0 HG12 ILE A 16 -6.812 -19.246 3.667 1.00 21.15 H new ATOM 0 HG13 ILE A 16 -5.134 -19.392 3.183 1.00 21.15 H new ATOM 0 HG21 ILE A 16 -3.528 -20.385 5.105 1.00 45.42 H new ATOM 0 HG22 ILE A 16 -4.047 -20.127 6.788 1.00 45.42 H new ATOM 0 HG23 ILE A 16 -4.795 -21.414 5.814 1.00 45.42 H new ATOM 0 HD11 ILE A 16 -6.389 -21.414 2.617 1.00 71.03 H new ATOM 0 HD12 ILE A 16 -5.140 -21.774 3.833 1.00 71.03 H new ATOM 0 HD13 ILE A 16 -6.844 -21.625 4.324 1.00 71.03 H new ATOM 228 N PRO A 17 -5.339 -19.087 8.283 1.00 15.42 N ATOM 229 CA PRO A 17 -4.810 -19.384 9.617 1.00 24.31 C ATOM 230 C PRO A 17 -5.877 -19.282 10.701 1.00 32.21 C ATOM 231 O PRO A 17 -5.782 -19.932 11.743 1.00 64.22 O ATOM 232 CB PRO A 17 -3.737 -18.311 9.820 1.00 21.43 C ATOM 233 CG PRO A 17 -4.160 -17.182 8.945 1.00 23.50 C ATOM 234 CD PRO A 17 -4.830 -17.810 7.754 1.00 21.23 C ATOM 0 HA PRO A 17 -4.432 -20.404 9.687 1.00 24.31 H new ATOM 0 HB2 PRO A 17 -3.678 -18.002 10.864 1.00 21.43 H new ATOM 0 HB3 PRO A 17 -2.750 -18.680 9.541 1.00 21.43 H new ATOM 0 HG2 PRO A 17 -4.844 -16.516 9.471 1.00 23.50 H new ATOM 0 HG3 PRO A 17 -3.302 -16.583 8.639 1.00 23.50 H new ATOM 0 HD2 PRO A 17 -5.636 -17.184 7.370 1.00 21.23 H new ATOM 0 HD3 PRO A 17 -4.129 -17.966 6.934 1.00 21.23 H new ATOM 242 N CYS A 18 -6.893 -18.464 10.449 1.00 4.33 N ATOM 243 CA CYS A 18 -7.979 -18.277 11.405 1.00 42.52 C ATOM 244 C CYS A 18 -8.620 -19.612 11.767 1.00 55.11 C ATOM 245 O CYS A 18 -8.956 -19.858 12.926 1.00 11.33 O ATOM 246 CB CYS A 18 -9.033 -17.329 10.831 1.00 72.24 C ATOM 247 SG CYS A 18 -9.888 -16.335 12.075 1.00 13.14 S ATOM 0 H CYS A 18 -6.988 -17.920 9.591 1.00 4.33 H new ATOM 0 HA CYS A 18 -7.562 -17.838 12.311 1.00 42.52 H new ATOM 0 HB2 CYS A 18 -8.554 -16.662 10.115 1.00 72.24 H new ATOM 0 HB3 CYS A 18 -9.770 -17.913 10.279 1.00 72.24 H new ATOM 0 HG CYS A 18 -9.781 -15.075 11.772 1.00 13.14 H new ATOM 253 N LEU A 19 -8.790 -20.471 10.768 1.00 41.01 N ATOM 254 CA LEU A 19 -9.393 -21.782 10.980 1.00 34.02 C ATOM 255 C LEU A 19 -8.390 -22.749 11.601 1.00 74.11 C ATOM 256 O LEU A 19 -8.703 -23.452 12.563 1.00 2.43 O ATOM 257 CB LEU A 19 -9.912 -22.347 9.657 1.00 40.03 C ATOM 258 CG LEU A 19 -10.674 -21.369 8.762 1.00 14.11 C ATOM 259 CD1 LEU A 19 -11.502 -22.122 7.732 1.00 13.33 C ATOM 260 CD2 LEU A 19 -11.561 -20.460 9.600 1.00 1.55 C ATOM 0 H LEU A 19 -8.519 -20.283 9.803 1.00 41.01 H new ATOM 0 HA LEU A 19 -10.229 -21.663 11.669 1.00 34.02 H new ATOM 0 HB2 LEU A 19 -9.064 -22.738 9.094 1.00 40.03 H new ATOM 0 HB3 LEU A 19 -10.565 -23.191 9.877 1.00 40.03 H new ATOM 0 HG LEU A 19 -9.949 -20.750 8.233 1.00 14.11 H new ATOM 0 HD11 LEU A 19 -12.037 -21.410 7.104 1.00 13.33 H new ATOM 0 HD12 LEU A 19 -10.845 -22.731 7.111 1.00 13.33 H new ATOM 0 HD13 LEU A 19 -12.218 -22.766 8.242 1.00 13.33 H new ATOM 0 HD21 LEU A 19 -12.096 -19.771 8.947 1.00 1.55 H new ATOM 0 HD22 LEU A 19 -12.279 -21.064 10.156 1.00 1.55 H new ATOM 0 HD23 LEU A 19 -10.945 -19.894 10.299 1.00 1.55 H new ATOM 272 N LEU A 20 -7.184 -22.779 11.046 1.00 40.13 N ATOM 273 CA LEU A 20 -6.133 -23.658 11.546 1.00 20.40 C ATOM 274 C LEU A 20 -5.949 -23.486 13.050 1.00 33.24 C ATOM 275 O LEU A 20 -5.977 -24.459 13.804 1.00 34.53 O ATOM 276 CB LEU A 20 -4.815 -23.373 10.824 1.00 51.22 C ATOM 277 CG LEU A 20 -3.943 -24.590 10.513 1.00 4.43 C ATOM 278 CD1 LEU A 20 -2.898 -24.243 9.464 1.00 71.55 C ATOM 279 CD2 LEU A 20 -3.277 -25.106 11.781 1.00 51.04 C ATOM 0 H LEU A 20 -6.909 -22.205 10.249 1.00 40.13 H new ATOM 0 HA LEU A 20 -6.432 -24.688 11.350 1.00 20.40 H new ATOM 0 HB2 LEU A 20 -5.040 -22.863 9.887 1.00 51.22 H new ATOM 0 HB3 LEU A 20 -4.233 -22.680 11.432 1.00 51.22 H new ATOM 0 HG LEU A 20 -4.581 -25.379 10.114 1.00 4.43 H new ATOM 0 HD11 LEU A 20 -2.287 -25.121 9.255 1.00 71.55 H new ATOM 0 HD12 LEU A 20 -3.394 -23.920 8.549 1.00 71.55 H new ATOM 0 HD13 LEU A 20 -2.263 -23.439 9.835 1.00 71.55 H new ATOM 0 HD21 LEU A 20 -2.660 -25.972 11.541 1.00 51.04 H new ATOM 0 HD22 LEU A 20 -2.652 -24.322 12.208 1.00 51.04 H new ATOM 0 HD23 LEU A 20 -4.042 -25.394 12.502 1.00 51.04 H new ATOM 291 N ILE A 21 -5.763 -22.243 13.480 1.00 14.31 N ATOM 292 CA ILE A 21 -5.579 -21.943 14.895 1.00 62.34 C ATOM 293 C ILE A 21 -6.863 -22.188 15.680 1.00 4.34 C ATOM 294 O ILE A 21 -6.823 -22.548 16.857 1.00 54.41 O ATOM 295 CB ILE A 21 -5.129 -20.486 15.108 1.00 55.35 C ATOM 296 CG1 ILE A 21 -6.242 -19.520 14.694 1.00 71.44 C ATOM 297 CG2 ILE A 21 -3.857 -20.204 14.323 1.00 40.33 C ATOM 298 CD1 ILE A 21 -5.742 -18.136 14.346 1.00 14.30 C ATOM 0 H ILE A 21 -5.736 -21.427 12.869 1.00 14.31 H new ATOM 0 HA ILE A 21 -4.800 -22.611 15.261 1.00 62.34 H new ATOM 0 HB ILE A 21 -4.919 -20.337 16.167 1.00 55.35 H new ATOM 0 HG12 ILE A 21 -6.770 -19.934 13.835 1.00 71.44 H new ATOM 0 HG13 ILE A 21 -6.965 -19.443 15.506 1.00 71.44 H new ATOM 0 HG21 ILE A 21 -3.552 -19.170 14.484 1.00 40.33 H new ATOM 0 HG22 ILE A 21 -3.065 -20.873 14.661 1.00 40.33 H new ATOM 0 HG23 ILE A 21 -4.041 -20.367 13.261 1.00 40.33 H new ATOM 0 HD11 ILE A 21 -6.585 -17.505 14.062 1.00 14.30 H new ATOM 0 HD12 ILE A 21 -5.240 -17.703 15.211 1.00 14.30 H new ATOM 0 HD13 ILE A 21 -5.041 -18.201 13.514 1.00 14.30 H new ATOM 310 N SER A 22 -8.000 -21.991 15.021 1.00 21.31 N ATOM 311 CA SER A 22 -9.297 -22.188 15.658 1.00 23.53 C ATOM 312 C SER A 22 -9.509 -23.656 16.016 1.00 62.53 C ATOM 313 O SER A 22 -9.716 -23.999 17.180 1.00 22.53 O ATOM 314 CB SER A 22 -10.420 -21.709 14.737 1.00 44.23 C ATOM 315 OG SER A 22 -11.625 -22.409 14.994 1.00 3.42 O ATOM 0 H SER A 22 -8.050 -21.695 14.046 1.00 21.31 H new ATOM 0 HA SER A 22 -9.315 -21.601 16.576 1.00 23.53 H new ATOM 0 HB2 SER A 22 -10.580 -20.640 14.879 1.00 44.23 H new ATOM 0 HB3 SER A 22 -10.127 -21.852 13.697 1.00 44.23 H new ATOM 0 HG SER A 22 -12.327 -22.083 14.393 1.00 3.42 H new ATOM 321 N CYS A 23 -9.456 -24.518 15.006 1.00 3.01 N ATOM 322 CA CYS A 23 -9.643 -25.950 15.212 1.00 3.11 C ATOM 323 C CYS A 23 -8.670 -26.480 16.260 1.00 3.13 C ATOM 324 O CYS A 23 -9.004 -27.375 17.037 1.00 32.31 O ATOM 325 CB CYS A 23 -9.454 -26.705 13.895 1.00 1.45 C ATOM 326 SG CYS A 23 -11.001 -27.156 13.075 1.00 23.11 S ATOM 0 H CYS A 23 -9.285 -24.250 14.037 1.00 3.01 H new ATOM 0 HA CYS A 23 -10.659 -26.111 15.572 1.00 3.11 H new ATOM 0 HB2 CYS A 23 -8.862 -26.090 13.217 1.00 1.45 H new ATOM 0 HB3 CYS A 23 -8.879 -27.611 14.087 1.00 1.45 H new ATOM 0 HG CYS A 23 -10.738 -27.788 11.970 1.00 23.11 H new ATOM 332 N LEU A 24 -7.464 -25.923 16.276 1.00 42.24 N ATOM 333 CA LEU A 24 -6.440 -26.340 17.228 1.00 72.34 C ATOM 334 C LEU A 24 -6.972 -26.289 18.656 1.00 1.23 C ATOM 335 O LEU A 24 -6.949 -27.288 19.376 1.00 42.11 O ATOM 336 CB LEU A 24 -5.203 -25.450 17.099 1.00 10.13 C ATOM 337 CG LEU A 24 -3.883 -26.171 16.822 1.00 53.33 C ATOM 338 CD1 LEU A 24 -3.617 -27.225 17.885 1.00 70.13 C ATOM 339 CD2 LEU A 24 -3.900 -26.800 15.436 1.00 15.12 C ATOM 0 H LEU A 24 -7.171 -25.181 15.640 1.00 42.24 H new ATOM 0 HA LEU A 24 -6.164 -27.369 17.000 1.00 72.34 H new ATOM 0 HB2 LEU A 24 -5.378 -24.733 16.296 1.00 10.13 H new ATOM 0 HB3 LEU A 24 -5.095 -24.877 18.020 1.00 10.13 H new ATOM 0 HG LEU A 24 -3.076 -25.439 16.857 1.00 53.33 H new ATOM 0 HD11 LEU A 24 -2.674 -27.727 17.671 1.00 70.13 H new ATOM 0 HD12 LEU A 24 -3.561 -26.749 18.864 1.00 70.13 H new ATOM 0 HD13 LEU A 24 -4.426 -27.956 17.883 1.00 70.13 H new ATOM 0 HD21 LEU A 24 -2.953 -27.309 15.256 1.00 15.12 H new ATOM 0 HD22 LEU A 24 -4.716 -27.520 15.373 1.00 15.12 H new ATOM 0 HD23 LEU A 24 -4.043 -26.023 14.685 1.00 15.12 H new ATOM 351 N THR A 25 -7.453 -25.118 19.061 1.00 13.44 N ATOM 352 CA THR A 25 -7.992 -24.935 20.403 1.00 21.53 C ATOM 353 C THR A 25 -9.170 -25.870 20.654 1.00 10.33 C ATOM 354 O THR A 25 -9.422 -26.276 21.789 1.00 73.23 O ATOM 355 CB THR A 25 -8.446 -23.482 20.634 1.00 41.20 C ATOM 356 OG1 THR A 25 -7.394 -22.578 20.279 1.00 4.34 O ATOM 357 CG2 THR A 25 -8.842 -23.262 22.086 1.00 21.53 C ATOM 0 H THR A 25 -7.480 -24.281 18.478 1.00 13.44 H new ATOM 0 HA THR A 25 -7.189 -25.171 21.101 1.00 21.53 H new ATOM 0 HB THR A 25 -9.316 -23.292 20.005 1.00 41.20 H new ATOM 0 HG1 THR A 25 -7.691 -21.656 20.427 1.00 4.34 H new ATOM 0 HG21 THR A 25 -9.159 -22.228 22.224 1.00 21.53 H new ATOM 0 HG22 THR A 25 -9.663 -23.931 22.345 1.00 21.53 H new ATOM 0 HG23 THR A 25 -7.988 -23.469 22.731 1.00 21.53 H new ATOM 365 N VAL A 26 -9.889 -26.208 19.589 1.00 41.35 N ATOM 366 CA VAL A 26 -11.040 -27.096 19.693 1.00 31.33 C ATOM 367 C VAL A 26 -10.601 -28.545 19.874 1.00 33.13 C ATOM 368 O VAL A 26 -11.297 -29.342 20.505 1.00 12.12 O ATOM 369 CB VAL A 26 -11.942 -26.996 18.448 1.00 25.24 C ATOM 370 CG1 VAL A 26 -13.080 -28.002 18.531 1.00 44.03 C ATOM 371 CG2 VAL A 26 -12.479 -25.582 18.293 1.00 53.31 C ATOM 0 H VAL A 26 -9.694 -25.880 18.643 1.00 41.35 H new ATOM 0 HA VAL A 26 -11.606 -26.778 20.568 1.00 31.33 H new ATOM 0 HB VAL A 26 -11.345 -27.232 17.567 1.00 25.24 H new ATOM 0 HG11 VAL A 26 -13.707 -27.917 17.643 1.00 44.03 H new ATOM 0 HG12 VAL A 26 -12.671 -29.010 18.591 1.00 44.03 H new ATOM 0 HG13 VAL A 26 -13.680 -27.801 19.419 1.00 44.03 H new ATOM 0 HG21 VAL A 26 -13.114 -25.529 17.409 1.00 53.31 H new ATOM 0 HG22 VAL A 26 -13.062 -25.315 19.175 1.00 53.31 H new ATOM 0 HG23 VAL A 26 -11.647 -24.887 18.184 1.00 53.31 H new ATOM 381 N LEU A 27 -9.443 -28.880 19.318 1.00 63.33 N ATOM 382 CA LEU A 27 -8.909 -30.234 19.418 1.00 72.43 C ATOM 383 C LEU A 27 -8.639 -30.607 20.872 1.00 62.11 C ATOM 384 O LEU A 27 -9.201 -31.571 21.392 1.00 53.22 O ATOM 385 CB LEU A 27 -7.623 -30.359 18.600 1.00 44.43 C ATOM 386 CG LEU A 27 -7.391 -31.705 17.913 1.00 72.01 C ATOM 387 CD1 LEU A 27 -7.267 -32.816 18.944 1.00 4.21 C ATOM 388 CD2 LEU A 27 -8.518 -32.006 16.936 1.00 53.02 C ATOM 0 H LEU A 27 -8.855 -28.233 18.793 1.00 63.33 H new ATOM 0 HA LEU A 27 -9.654 -30.922 19.018 1.00 72.43 H new ATOM 0 HB2 LEU A 27 -7.624 -29.580 17.837 1.00 44.43 H new ATOM 0 HB3 LEU A 27 -6.777 -30.159 19.258 1.00 44.43 H new ATOM 0 HG LEU A 27 -6.457 -31.650 17.354 1.00 72.01 H new ATOM 0 HD11 LEU A 27 -7.102 -33.767 18.437 1.00 4.21 H new ATOM 0 HD12 LEU A 27 -6.426 -32.607 19.605 1.00 4.21 H new ATOM 0 HD13 LEU A 27 -8.184 -32.872 19.531 1.00 4.21 H new ATOM 0 HD21 LEU A 27 -8.336 -32.968 16.456 1.00 53.02 H new ATOM 0 HD22 LEU A 27 -9.466 -32.042 17.473 1.00 53.02 H new ATOM 0 HD23 LEU A 27 -8.560 -31.224 16.177 1.00 53.02 H new ATOM 400 N VAL A 28 -7.775 -29.835 21.524 1.00 31.54 N ATOM 401 CA VAL A 28 -7.432 -30.082 22.920 1.00 72.21 C ATOM 402 C VAL A 28 -8.662 -29.977 23.815 1.00 70.23 C ATOM 403 O VAL A 28 -8.752 -30.645 24.845 1.00 10.44 O ATOM 404 CB VAL A 28 -6.362 -29.093 23.418 1.00 12.23 C ATOM 405 CG1 VAL A 28 -6.827 -27.658 23.218 1.00 23.24 C ATOM 406 CG2 VAL A 28 -6.033 -29.357 24.880 1.00 41.51 C ATOM 0 H VAL A 28 -7.300 -29.034 21.108 1.00 31.54 H new ATOM 0 HA VAL A 28 -7.033 -31.095 22.974 1.00 72.21 H new ATOM 0 HB VAL A 28 -5.454 -29.240 22.833 1.00 12.23 H new ATOM 0 HG11 VAL A 28 -6.058 -26.973 23.576 1.00 23.24 H new ATOM 0 HG12 VAL A 28 -7.008 -27.479 22.158 1.00 23.24 H new ATOM 0 HG13 VAL A 28 -7.748 -27.493 23.777 1.00 23.24 H new ATOM 0 HG21 VAL A 28 -5.275 -28.649 25.216 1.00 41.51 H new ATOM 0 HG22 VAL A 28 -6.933 -29.238 25.483 1.00 41.51 H new ATOM 0 HG23 VAL A 28 -5.655 -30.373 24.990 1.00 41.51 H new ATOM 416 N PHE A 29 -9.609 -29.135 23.414 1.00 45.12 N ATOM 417 CA PHE A 29 -10.834 -28.942 24.180 1.00 53.43 C ATOM 418 C PHE A 29 -11.801 -30.102 23.962 1.00 65.32 C ATOM 419 O PHE A 29 -12.739 -30.297 24.735 1.00 41.31 O ATOM 420 CB PHE A 29 -11.505 -27.624 23.785 1.00 21.11 C ATOM 421 CG PHE A 29 -11.035 -26.447 24.592 1.00 71.34 C ATOM 422 CD1 PHE A 29 -9.697 -26.306 24.920 1.00 4.24 C ATOM 423 CD2 PHE A 29 -11.932 -25.483 25.021 1.00 13.24 C ATOM 424 CE1 PHE A 29 -9.261 -25.224 25.662 1.00 1.11 C ATOM 425 CE2 PHE A 29 -11.502 -24.399 25.763 1.00 53.41 C ATOM 426 CZ PHE A 29 -10.165 -24.270 26.085 1.00 53.43 C ATOM 0 H PHE A 29 -9.551 -28.576 22.563 1.00 45.12 H new ATOM 0 HA PHE A 29 -10.570 -28.906 25.237 1.00 53.43 H new ATOM 0 HB2 PHE A 29 -11.314 -27.430 22.729 1.00 21.11 H new ATOM 0 HB3 PHE A 29 -12.584 -27.726 23.900 1.00 21.11 H new ATOM 0 HD1 PHE A 29 -8.986 -27.050 24.592 1.00 4.24 H new ATOM 0 HD2 PHE A 29 -12.979 -25.579 24.773 1.00 13.24 H new ATOM 0 HE1 PHE A 29 -8.215 -25.125 25.910 1.00 1.11 H new ATOM 0 HE2 PHE A 29 -12.211 -23.653 26.091 1.00 53.41 H new ATOM 0 HZ PHE A 29 -9.827 -23.425 26.666 1.00 53.43 H new ATOM 436 N TYR A 30 -11.564 -30.870 22.904 1.00 72.10 N ATOM 437 CA TYR A 30 -12.414 -32.010 22.582 1.00 54.15 C ATOM 438 C TYR A 30 -12.084 -33.205 23.470 1.00 24.02 C ATOM 439 O TYR A 30 -12.958 -34.005 23.806 1.00 21.11 O ATOM 440 CB TYR A 30 -12.252 -32.394 21.110 1.00 42.01 C ATOM 441 CG TYR A 30 -13.142 -33.539 20.681 1.00 41.51 C ATOM 442 CD1 TYR A 30 -14.503 -33.347 20.478 1.00 72.20 C ATOM 443 CD2 TYR A 30 -12.622 -34.811 20.480 1.00 72.15 C ATOM 444 CE1 TYR A 30 -15.321 -34.390 20.087 1.00 45.03 C ATOM 445 CE2 TYR A 30 -13.432 -35.859 20.087 1.00 64.32 C ATOM 446 CZ TYR A 30 -14.780 -35.644 19.892 1.00 40.11 C ATOM 447 OH TYR A 30 -15.590 -36.686 19.502 1.00 1.12 O ATOM 0 H TYR A 30 -10.791 -30.724 22.255 1.00 72.10 H new ATOM 0 HA TYR A 30 -13.449 -31.721 22.764 1.00 54.15 H new ATOM 0 HB2 TYR A 30 -12.469 -31.524 20.490 1.00 42.01 H new ATOM 0 HB3 TYR A 30 -11.212 -32.665 20.926 1.00 42.01 H new ATOM 0 HD1 TYR A 30 -14.929 -32.366 20.628 1.00 72.20 H new ATOM 0 HD2 TYR A 30 -11.567 -34.984 20.633 1.00 72.15 H new ATOM 0 HE1 TYR A 30 -16.377 -34.224 19.935 1.00 45.03 H new ATOM 0 HE2 TYR A 30 -13.011 -36.842 19.933 1.00 64.32 H new ATOM 0 HH TYR A 30 -15.053 -37.500 19.408 1.00 1.12 H new ATOM 457 N LEU A 31 -10.815 -33.319 23.848 1.00 33.44 N ATOM 458 CA LEU A 31 -10.367 -34.416 24.699 1.00 25.12 C ATOM 459 C LEU A 31 -9.117 -34.023 25.481 1.00 50.13 C ATOM 460 O LEU A 31 -8.014 -34.505 25.220 1.00 55.32 O ATOM 461 CB LEU A 31 -10.083 -35.660 23.855 1.00 54.22 C ATOM 462 CG LEU A 31 -9.669 -36.914 24.625 1.00 30.00 C ATOM 463 CD1 LEU A 31 -10.716 -38.006 24.470 1.00 61.14 C ATOM 464 CD2 LEU A 31 -8.309 -37.405 24.152 1.00 62.41 C ATOM 0 H LEU A 31 -10.079 -32.666 23.579 1.00 33.44 H new ATOM 0 HA LEU A 31 -11.163 -34.640 25.409 1.00 25.12 H new ATOM 0 HB2 LEU A 31 -10.976 -35.893 23.275 1.00 54.22 H new ATOM 0 HB3 LEU A 31 -9.294 -35.419 23.143 1.00 54.22 H new ATOM 0 HG LEU A 31 -9.594 -36.660 25.682 1.00 30.00 H new ATOM 0 HD11 LEU A 31 -10.404 -38.891 25.025 1.00 61.14 H new ATOM 0 HD12 LEU A 31 -11.671 -37.652 24.858 1.00 61.14 H new ATOM 0 HD13 LEU A 31 -10.825 -38.259 23.415 1.00 61.14 H new ATOM 0 HD21 LEU A 31 -8.030 -38.298 24.711 1.00 62.41 H new ATOM 0 HD22 LEU A 31 -8.357 -37.642 23.089 1.00 62.41 H new ATOM 0 HD23 LEU A 31 -7.564 -36.627 24.317 1.00 62.41 H new ATOM 476 N PRO A 32 -9.291 -33.128 26.464 1.00 13.23 N ATOM 477 CA PRO A 32 -8.189 -32.652 27.306 1.00 34.11 C ATOM 478 C PRO A 32 -7.671 -33.733 28.248 1.00 33.14 C ATOM 479 O PRO A 32 -8.440 -34.555 28.748 1.00 63.25 O ATOM 480 CB PRO A 32 -8.820 -31.506 28.102 1.00 60.43 C ATOM 481 CG PRO A 32 -10.275 -31.823 28.133 1.00 33.11 C ATOM 482 CD PRO A 32 -10.578 -32.512 26.831 1.00 45.30 C ATOM 0 HA PRO A 32 -7.324 -32.352 26.714 1.00 34.11 H new ATOM 0 HB2 PRO A 32 -8.406 -31.448 29.109 1.00 60.43 H new ATOM 0 HB3 PRO A 32 -8.635 -30.544 27.625 1.00 60.43 H new ATOM 0 HG2 PRO A 32 -10.516 -32.466 28.980 1.00 33.11 H new ATOM 0 HG3 PRO A 32 -10.870 -30.916 28.242 1.00 33.11 H new ATOM 0 HD2 PRO A 32 -11.363 -33.259 26.945 1.00 45.30 H new ATOM 0 HD3 PRO A 32 -10.917 -31.807 26.072 1.00 45.30 H new ATOM 490 N SER A 33 -6.364 -33.726 28.488 1.00 21.00 N ATOM 491 CA SER A 33 -5.743 -34.709 29.369 1.00 42.55 C ATOM 492 C SER A 33 -4.946 -34.021 30.473 1.00 34.15 C ATOM 493 O SER A 33 -5.037 -34.395 31.642 1.00 11.13 O ATOM 494 CB SER A 33 -4.828 -35.637 28.567 1.00 12.20 C ATOM 495 OG SER A 33 -5.050 -36.993 28.911 1.00 34.42 O ATOM 0 H SER A 33 -5.714 -33.051 28.085 1.00 21.00 H new ATOM 0 HA SER A 33 -6.535 -35.300 29.830 1.00 42.55 H new ATOM 0 HB2 SER A 33 -5.005 -35.495 27.501 1.00 12.20 H new ATOM 0 HB3 SER A 33 -3.786 -35.377 28.754 1.00 12.20 H new ATOM 0 HG SER A 33 -4.455 -37.566 28.384 1.00 34.42 H new ATOM 501 N GLU A 34 -4.166 -33.014 30.093 1.00 34.02 N ATOM 502 CA GLU A 34 -3.353 -32.275 31.052 1.00 53.55 C ATOM 503 C GLU A 34 -3.838 -30.833 31.178 1.00 21.13 C ATOM 504 O GLU A 34 -4.556 -30.330 30.313 1.00 4.00 O ATOM 505 CB GLU A 34 -1.883 -32.294 30.629 1.00 62.50 C ATOM 506 CG GLU A 34 -0.959 -32.906 31.669 1.00 41.11 C ATOM 507 CD GLU A 34 -1.237 -34.378 31.903 1.00 71.02 C ATOM 508 OE1 GLU A 34 -1.701 -35.051 30.958 1.00 11.14 O ATOM 509 OE2 GLU A 34 -0.991 -34.857 33.029 1.00 33.24 O ATOM 0 H GLU A 34 -4.080 -32.691 29.129 1.00 34.02 H new ATOM 0 HA GLU A 34 -3.451 -32.760 32.023 1.00 53.55 H new ATOM 0 HB2 GLU A 34 -1.789 -32.852 29.698 1.00 62.50 H new ATOM 0 HB3 GLU A 34 -1.560 -31.274 30.423 1.00 62.50 H new ATOM 0 HG2 GLU A 34 0.075 -32.782 31.348 1.00 41.11 H new ATOM 0 HG3 GLU A 34 -1.068 -32.366 32.609 1.00 41.11 H new ATOM 516 N CYS A 35 -3.441 -30.175 32.262 1.00 72.21 N ATOM 517 CA CYS A 35 -3.836 -28.792 32.504 1.00 43.23 C ATOM 518 C CYS A 35 -2.705 -27.833 32.145 1.00 22.41 C ATOM 519 O CYS A 35 -2.823 -26.622 32.325 1.00 32.11 O ATOM 520 CB CYS A 35 -4.236 -28.602 33.967 1.00 33.34 C ATOM 521 SG CYS A 35 -5.841 -29.318 34.392 1.00 34.40 S ATOM 0 H CYS A 35 -2.846 -30.577 32.987 1.00 72.21 H new ATOM 0 HA CYS A 35 -4.693 -28.569 31.869 1.00 43.23 H new ATOM 0 HB2 CYS A 35 -3.471 -29.048 34.603 1.00 33.34 H new ATOM 0 HB3 CYS A 35 -4.255 -27.536 34.192 1.00 33.34 H new ATOM 0 HG CYS A 35 -6.090 -29.108 35.651 1.00 34.40 H new ATOM 527 N GLY A 36 -1.606 -28.385 31.638 1.00 75.22 N ATOM 528 CA GLY A 36 -0.469 -27.565 31.264 1.00 71.22 C ATOM 529 C GLY A 36 -0.590 -27.013 29.857 1.00 24.42 C ATOM 530 O GLY A 36 -0.324 -25.835 29.622 1.00 72.25 O ATOM 0 H GLY A 36 -1.483 -29.385 31.480 1.00 75.22 H new ATOM 0 HA2 GLY A 36 -0.374 -26.739 31.968 1.00 71.22 H new ATOM 0 HA3 GLY A 36 0.443 -28.157 31.342 1.00 71.22 H new ATOM 534 N GLU A 37 -0.990 -27.867 28.920 1.00 24.53 N ATOM 535 CA GLU A 37 -1.142 -27.458 27.529 1.00 22.00 C ATOM 536 C GLU A 37 -2.119 -26.292 27.409 1.00 70.22 C ATOM 537 O GLU A 37 -2.064 -25.517 26.454 1.00 0.52 O ATOM 538 CB GLU A 37 -1.626 -28.634 26.678 1.00 13.22 C ATOM 539 CG GLU A 37 -0.503 -29.388 25.987 1.00 73.42 C ATOM 540 CD GLU A 37 -0.909 -30.791 25.577 1.00 25.14 C ATOM 541 OE1 GLU A 37 -1.563 -30.937 24.524 1.00 43.42 O ATOM 542 OE2 GLU A 37 -0.571 -31.744 26.311 1.00 3.43 O ATOM 0 H GLU A 37 -1.214 -28.846 29.099 1.00 24.53 H new ATOM 0 HA GLU A 37 -0.168 -27.132 27.164 1.00 22.00 H new ATOM 0 HB2 GLU A 37 -2.181 -29.326 27.312 1.00 13.22 H new ATOM 0 HB3 GLU A 37 -2.321 -28.264 25.925 1.00 13.22 H new ATOM 0 HG2 GLU A 37 -0.187 -28.833 25.104 1.00 73.42 H new ATOM 0 HG3 GLU A 37 0.357 -29.443 26.654 1.00 73.42 H new ATOM 549 N LYS A 38 -3.014 -26.175 28.384 1.00 70.22 N ATOM 550 CA LYS A 38 -4.004 -25.105 28.390 1.00 52.11 C ATOM 551 C LYS A 38 -3.328 -23.738 28.429 1.00 21.35 C ATOM 552 O LYS A 38 -3.579 -22.886 27.576 1.00 20.55 O ATOM 553 CB LYS A 38 -4.942 -25.257 29.590 1.00 40.43 C ATOM 554 CG LYS A 38 -6.361 -25.639 29.208 1.00 73.53 C ATOM 555 CD LYS A 38 -6.771 -26.960 29.837 1.00 32.23 C ATOM 556 CE LYS A 38 -6.875 -26.848 31.351 1.00 53.24 C ATOM 557 NZ LYS A 38 -8.119 -26.145 31.770 1.00 33.23 N ATOM 0 H LYS A 38 -3.074 -26.809 29.181 1.00 70.22 H new ATOM 0 HA LYS A 38 -4.585 -25.177 27.471 1.00 52.11 H new ATOM 0 HB2 LYS A 38 -4.539 -26.015 30.262 1.00 40.43 H new ATOM 0 HB3 LYS A 38 -4.964 -24.319 30.144 1.00 40.43 H new ATOM 0 HG2 LYS A 38 -7.048 -24.855 29.526 1.00 73.53 H new ATOM 0 HG3 LYS A 38 -6.440 -25.711 28.123 1.00 73.53 H new ATOM 0 HD2 LYS A 38 -7.730 -27.277 29.428 1.00 32.23 H new ATOM 0 HD3 LYS A 38 -6.044 -27.729 29.577 1.00 32.23 H new ATOM 0 HE2 LYS A 38 -6.855 -27.845 31.791 1.00 53.24 H new ATOM 0 HE3 LYS A 38 -6.007 -26.312 31.736 1.00 53.24 H new ATOM 0 HZ1 LYS A 38 -8.153 -26.089 32.808 1.00 33.23 H new ATOM 0 HZ2 LYS A 38 -8.126 -25.185 31.371 1.00 33.23 H new ATOM 0 HZ3 LYS A 38 -8.948 -26.670 31.424 1.00 33.23 H new ATOM 571 N ILE A 39 -2.469 -23.537 29.423 1.00 11.21 N ATOM 572 CA ILE A 39 -1.755 -22.275 29.571 1.00 14.51 C ATOM 573 C ILE A 39 -0.848 -22.013 28.374 1.00 41.51 C ATOM 574 O ILE A 39 -0.825 -20.909 27.827 1.00 71.41 O ATOM 575 CB ILE A 39 -0.908 -22.254 30.857 1.00 34.12 C ATOM 576 CG1 ILE A 39 -1.785 -22.550 32.076 1.00 51.21 C ATOM 577 CG2 ILE A 39 -0.213 -20.910 31.012 1.00 2.10 C ATOM 578 CD1 ILE A 39 -2.761 -21.441 32.402 1.00 4.30 C ATOM 0 H ILE A 39 -2.251 -24.232 30.137 1.00 11.21 H new ATOM 0 HA ILE A 39 -2.510 -21.491 29.631 1.00 14.51 H new ATOM 0 HB ILE A 39 -0.145 -23.029 30.785 1.00 34.12 H new ATOM 0 HG12 ILE A 39 -2.340 -23.471 31.899 1.00 51.21 H new ATOM 0 HG13 ILE A 39 -1.144 -22.725 32.940 1.00 51.21 H new ATOM 0 HG21 ILE A 39 0.382 -20.911 31.926 1.00 2.10 H new ATOM 0 HG22 ILE A 39 0.438 -20.736 30.155 1.00 2.10 H new ATOM 0 HG23 ILE A 39 -0.960 -20.118 31.066 1.00 2.10 H new ATOM 0 HD11 ILE A 39 -3.349 -21.719 33.277 1.00 4.30 H new ATOM 0 HD12 ILE A 39 -2.212 -20.523 32.611 1.00 4.30 H new ATOM 0 HD13 ILE A 39 -3.426 -21.281 31.554 1.00 4.30 H new ATOM 590 N THR A 40 -0.101 -23.035 27.969 1.00 21.24 N ATOM 591 CA THR A 40 0.808 -22.917 26.837 1.00 42.45 C ATOM 592 C THR A 40 0.053 -22.566 25.560 1.00 51.42 C ATOM 593 O THR A 40 0.556 -21.827 24.712 1.00 72.43 O ATOM 594 CB THR A 40 1.597 -24.220 26.611 1.00 64.03 C ATOM 595 OG1 THR A 40 1.939 -24.810 27.870 1.00 61.22 O ATOM 596 CG2 THR A 40 2.863 -23.954 25.809 1.00 32.52 C ATOM 0 H THR A 40 -0.108 -23.955 28.409 1.00 21.24 H new ATOM 0 HA THR A 40 1.507 -22.115 27.076 1.00 42.45 H new ATOM 0 HB THR A 40 0.967 -24.908 26.047 1.00 64.03 H new ATOM 0 HG1 THR A 40 2.439 -25.639 27.718 1.00 61.22 H new ATOM 0 HG21 THR A 40 3.404 -24.889 25.662 1.00 32.52 H new ATOM 0 HG22 THR A 40 2.598 -23.532 24.840 1.00 32.52 H new ATOM 0 HG23 THR A 40 3.495 -23.250 26.350 1.00 32.52 H new ATOM 604 N LEU A 41 -1.157 -23.098 25.429 1.00 51.14 N ATOM 605 CA LEU A 41 -1.983 -22.840 24.254 1.00 13.13 C ATOM 606 C LEU A 41 -2.372 -21.367 24.175 1.00 62.03 C ATOM 607 O LEU A 41 -2.282 -20.748 23.114 1.00 3.51 O ATOM 608 CB LEU A 41 -3.241 -23.710 24.290 1.00 12.42 C ATOM 609 CG LEU A 41 -4.266 -23.454 23.184 1.00 24.22 C ATOM 610 CD1 LEU A 41 -4.963 -24.748 22.794 1.00 52.15 C ATOM 611 CD2 LEU A 41 -5.281 -22.412 23.628 1.00 12.44 C ATOM 0 H LEU A 41 -1.588 -23.710 26.121 1.00 51.14 H new ATOM 0 HA LEU A 41 -1.400 -23.091 23.368 1.00 13.13 H new ATOM 0 HB2 LEU A 41 -2.937 -24.756 24.241 1.00 12.42 H new ATOM 0 HB3 LEU A 41 -3.731 -23.565 25.253 1.00 12.42 H new ATOM 0 HG LEU A 41 -3.741 -23.070 22.310 1.00 24.22 H new ATOM 0 HD11 LEU A 41 -5.689 -24.547 22.006 1.00 52.15 H new ATOM 0 HD12 LEU A 41 -4.225 -25.464 22.433 1.00 52.15 H new ATOM 0 HD13 LEU A 41 -5.476 -25.161 23.663 1.00 52.15 H new ATOM 0 HD21 LEU A 41 -6.002 -22.243 22.828 1.00 12.44 H new ATOM 0 HD22 LEU A 41 -5.802 -22.767 24.517 1.00 12.44 H new ATOM 0 HD23 LEU A 41 -4.767 -21.478 23.857 1.00 12.44 H new ATOM 623 N CYS A 42 -2.802 -20.812 25.303 1.00 65.34 N ATOM 624 CA CYS A 42 -3.202 -19.411 25.361 1.00 13.01 C ATOM 625 C CYS A 42 -2.105 -18.508 24.807 1.00 22.05 C ATOM 626 O CYS A 42 -2.377 -17.582 24.043 1.00 5.30 O ATOM 627 CB CYS A 42 -3.530 -19.012 26.801 1.00 65.31 C ATOM 628 SG CYS A 42 -3.578 -17.226 27.080 1.00 62.54 S ATOM 0 H CYS A 42 -2.882 -21.311 26.189 1.00 65.34 H new ATOM 0 HA CYS A 42 -4.093 -19.288 24.746 1.00 13.01 H new ATOM 0 HB2 CYS A 42 -4.496 -19.437 27.073 1.00 65.31 H new ATOM 0 HB3 CYS A 42 -2.788 -19.453 27.467 1.00 65.31 H new ATOM 0 HG CYS A 42 -3.865 -16.989 28.326 1.00 62.54 H new ATOM 634 N ILE A 43 -0.866 -18.783 25.200 1.00 65.33 N ATOM 635 CA ILE A 43 0.273 -17.995 24.743 1.00 75.41 C ATOM 636 C ILE A 43 0.479 -18.147 23.240 1.00 75.43 C ATOM 637 O ILE A 43 0.818 -17.187 22.549 1.00 2.30 O ATOM 638 CB ILE A 43 1.567 -18.402 25.471 1.00 63.21 C ATOM 639 CG1 ILE A 43 1.434 -18.150 26.974 1.00 10.11 C ATOM 640 CG2 ILE A 43 2.756 -17.640 24.904 1.00 74.13 C ATOM 641 CD1 ILE A 43 2.079 -19.220 27.826 1.00 23.40 C ATOM 0 H ILE A 43 -0.625 -19.545 25.834 1.00 65.33 H new ATOM 0 HA ILE A 43 0.049 -16.953 24.973 1.00 75.41 H new ATOM 0 HB ILE A 43 1.734 -19.468 25.314 1.00 63.21 H new ATOM 0 HG12 ILE A 43 1.883 -17.186 27.214 1.00 10.11 H new ATOM 0 HG13 ILE A 43 0.377 -18.081 27.230 1.00 10.11 H new ATOM 0 HG21 ILE A 43 3.663 -17.939 25.429 1.00 74.13 H new ATOM 0 HG22 ILE A 43 2.860 -17.865 23.843 1.00 74.13 H new ATOM 0 HG23 ILE A 43 2.597 -16.569 25.034 1.00 74.13 H new ATOM 0 HD11 ILE A 43 1.946 -18.976 28.880 1.00 23.40 H new ATOM 0 HD12 ILE A 43 1.614 -20.183 27.615 1.00 23.40 H new ATOM 0 HD13 ILE A 43 3.144 -19.274 27.598 1.00 23.40 H new ATOM 653 N SER A 44 0.269 -19.361 22.739 1.00 52.42 N ATOM 654 CA SER A 44 0.433 -19.640 21.317 1.00 3.40 C ATOM 655 C SER A 44 -0.547 -18.818 20.485 1.00 2.23 C ATOM 656 O SER A 44 -0.157 -18.142 19.533 1.00 4.01 O ATOM 657 CB SER A 44 0.229 -21.130 21.041 1.00 32.42 C ATOM 658 OG SER A 44 1.239 -21.634 20.185 1.00 42.25 O ATOM 0 H SER A 44 -0.015 -20.166 23.297 1.00 52.42 H new ATOM 0 HA SER A 44 1.447 -19.361 21.032 1.00 3.40 H new ATOM 0 HB2 SER A 44 0.237 -21.681 21.981 1.00 32.42 H new ATOM 0 HB3 SER A 44 -0.749 -21.288 20.587 1.00 32.42 H new ATOM 0 HG SER A 44 1.086 -22.589 20.026 1.00 42.25 H new ATOM 664 N VAL A 45 -1.823 -18.881 20.852 1.00 21.23 N ATOM 665 CA VAL A 45 -2.860 -18.143 20.142 1.00 73.00 C ATOM 666 C VAL A 45 -2.626 -16.639 20.234 1.00 62.40 C ATOM 667 O VAL A 45 -2.779 -15.915 19.250 1.00 43.41 O ATOM 668 CB VAL A 45 -4.260 -18.468 20.696 1.00 30.04 C ATOM 669 CG1 VAL A 45 -5.316 -17.609 20.018 1.00 10.41 C ATOM 670 CG2 VAL A 45 -4.572 -19.947 20.522 1.00 44.31 C ATOM 0 H VAL A 45 -2.163 -19.436 21.637 1.00 21.23 H new ATOM 0 HA VAL A 45 -2.809 -18.452 19.098 1.00 73.00 H new ATOM 0 HB VAL A 45 -4.271 -18.241 21.762 1.00 30.04 H new ATOM 0 HG11 VAL A 45 -6.298 -17.853 20.423 1.00 10.41 H new ATOM 0 HG12 VAL A 45 -5.100 -16.556 20.200 1.00 10.41 H new ATOM 0 HG13 VAL A 45 -5.308 -17.801 18.945 1.00 10.41 H new ATOM 0 HG21 VAL A 45 -5.565 -20.159 20.919 1.00 44.31 H new ATOM 0 HG22 VAL A 45 -4.542 -20.203 19.463 1.00 44.31 H new ATOM 0 HG23 VAL A 45 -3.832 -20.541 21.059 1.00 44.31 H new ATOM 680 N LEU A 46 -2.253 -16.176 21.422 1.00 71.21 N ATOM 681 CA LEU A 46 -1.996 -14.757 21.644 1.00 71.45 C ATOM 682 C LEU A 46 -0.780 -14.293 20.848 1.00 75.35 C ATOM 683 O LEU A 46 -0.655 -13.113 20.517 1.00 23.33 O ATOM 684 CB LEU A 46 -1.779 -14.485 23.133 1.00 0.20 C ATOM 685 CG LEU A 46 -2.040 -13.052 23.598 1.00 1.31 C ATOM 686 CD1 LEU A 46 -3.485 -12.890 24.043 1.00 52.44 C ATOM 687 CD2 LEU A 46 -1.088 -12.675 24.724 1.00 12.21 C ATOM 0 H LEU A 46 -2.122 -16.762 22.246 1.00 71.21 H new ATOM 0 HA LEU A 46 -2.866 -14.197 21.302 1.00 71.45 H new ATOM 0 HB2 LEU A 46 -2.425 -15.154 23.702 1.00 0.20 H new ATOM 0 HB3 LEU A 46 -0.751 -14.745 23.383 1.00 0.20 H new ATOM 0 HG LEU A 46 -1.862 -12.380 22.758 1.00 1.31 H new ATOM 0 HD11 LEU A 46 -3.652 -11.864 24.370 1.00 52.44 H new ATOM 0 HD12 LEU A 46 -4.150 -13.118 23.210 1.00 52.44 H new ATOM 0 HD13 LEU A 46 -3.690 -13.572 24.868 1.00 52.44 H new ATOM 0 HD21 LEU A 46 -1.288 -11.652 25.042 1.00 12.21 H new ATOM 0 HD22 LEU A 46 -1.234 -13.352 25.566 1.00 12.21 H new ATOM 0 HD23 LEU A 46 -0.059 -12.751 24.371 1.00 12.21 H new ATOM 699 N LEU A 47 0.111 -15.229 20.541 1.00 43.25 N ATOM 700 CA LEU A 47 1.317 -14.917 19.780 1.00 13.45 C ATOM 701 C LEU A 47 0.977 -14.591 18.330 1.00 54.33 C ATOM 702 O LEU A 47 1.497 -13.632 17.760 1.00 2.30 O ATOM 703 CB LEU A 47 2.296 -16.090 19.835 1.00 22.43 C ATOM 704 CG LEU A 47 3.713 -15.761 20.307 1.00 12.12 C ATOM 705 CD1 LEU A 47 4.455 -17.030 20.694 1.00 22.54 C ATOM 706 CD2 LEU A 47 4.473 -15.005 19.227 1.00 74.01 C ATOM 0 H LEU A 47 0.022 -16.210 20.807 1.00 43.25 H new ATOM 0 HA LEU A 47 1.784 -14.041 20.230 1.00 13.45 H new ATOM 0 HB2 LEU A 47 1.882 -16.852 20.496 1.00 22.43 H new ATOM 0 HB3 LEU A 47 2.359 -16.531 18.840 1.00 22.43 H new ATOM 0 HG LEU A 47 3.643 -15.123 21.188 1.00 12.12 H new ATOM 0 HD11 LEU A 47 5.461 -16.776 21.027 1.00 22.54 H new ATOM 0 HD12 LEU A 47 3.921 -17.532 21.501 1.00 22.54 H new ATOM 0 HD13 LEU A 47 4.515 -17.694 19.831 1.00 22.54 H new ATOM 0 HD21 LEU A 47 5.479 -14.779 19.580 1.00 74.01 H new ATOM 0 HD22 LEU A 47 4.533 -15.618 18.328 1.00 74.01 H new ATOM 0 HD23 LEU A 47 3.952 -14.075 18.998 1.00 74.01 H new ATOM 718 N SER A 48 0.098 -15.394 17.738 1.00 21.14 N ATOM 719 CA SER A 48 -0.311 -15.192 16.353 1.00 22.13 C ATOM 720 C SER A 48 -1.050 -13.867 16.193 1.00 70.12 C ATOM 721 O SER A 48 -0.884 -13.167 15.193 1.00 20.10 O ATOM 722 CB SER A 48 -1.202 -16.346 15.889 1.00 1.21 C ATOM 723 OG SER A 48 -1.543 -17.194 16.972 1.00 71.24 O ATOM 0 H SER A 48 -0.345 -16.191 18.196 1.00 21.14 H new ATOM 0 HA SER A 48 0.586 -15.164 15.735 1.00 22.13 H new ATOM 0 HB2 SER A 48 -2.110 -15.949 15.434 1.00 1.21 H new ATOM 0 HB3 SER A 48 -0.686 -16.922 15.121 1.00 1.21 H new ATOM 0 HG SER A 48 -2.064 -16.690 17.631 1.00 71.24 H new ATOM 729 N LEU A 49 -1.867 -13.529 17.184 1.00 21.04 N ATOM 730 CA LEU A 49 -2.633 -12.288 17.155 1.00 0.11 C ATOM 731 C LEU A 49 -1.707 -11.078 17.094 1.00 3.43 C ATOM 732 O LEU A 49 -1.933 -10.146 16.321 1.00 34.12 O ATOM 733 CB LEU A 49 -3.535 -12.193 18.387 1.00 42.10 C ATOM 734 CG LEU A 49 -5.026 -11.993 18.113 1.00 2.05 C ATOM 735 CD1 LEU A 49 -5.845 -12.326 19.351 1.00 41.01 C ATOM 736 CD2 LEU A 49 -5.298 -10.566 17.659 1.00 32.35 C ATOM 0 H LEU A 49 -2.016 -14.097 18.018 1.00 21.04 H new ATOM 0 HA LEU A 49 -3.253 -12.293 16.258 1.00 0.11 H new ATOM 0 HB2 LEU A 49 -3.413 -13.104 18.973 1.00 42.10 H new ATOM 0 HB3 LEU A 49 -3.186 -11.366 19.006 1.00 42.10 H new ATOM 0 HG LEU A 49 -5.323 -12.670 17.313 1.00 2.05 H new ATOM 0 HD11 LEU A 49 -6.904 -12.178 19.138 1.00 41.01 H new ATOM 0 HD12 LEU A 49 -5.673 -13.365 19.632 1.00 41.01 H new ATOM 0 HD13 LEU A 49 -5.546 -11.674 20.172 1.00 41.01 H new ATOM 0 HD21 LEU A 49 -6.364 -10.442 17.469 1.00 32.35 H new ATOM 0 HD22 LEU A 49 -4.985 -9.871 18.438 1.00 32.35 H new ATOM 0 HD23 LEU A 49 -4.740 -10.362 16.745 1.00 32.35 H new ATOM 748 N THR A 50 -0.660 -11.098 17.914 1.00 61.14 N ATOM 749 CA THR A 50 0.302 -10.004 17.953 1.00 52.44 C ATOM 750 C THR A 50 1.250 -10.063 16.761 1.00 44.52 C ATOM 751 O THR A 50 1.838 -9.053 16.371 1.00 33.05 O ATOM 752 CB THR A 50 1.127 -10.027 19.253 1.00 62.11 C ATOM 753 OG1 THR A 50 0.283 -10.350 20.363 1.00 32.14 O ATOM 754 CG2 THR A 50 1.797 -8.683 19.493 1.00 41.40 C ATOM 0 H THR A 50 -0.457 -11.861 18.560 1.00 61.14 H new ATOM 0 HA THR A 50 -0.271 -9.078 17.912 1.00 52.44 H new ATOM 0 HB THR A 50 1.901 -10.788 19.152 1.00 62.11 H new ATOM 0 HG1 THR A 50 0.105 -11.314 20.369 1.00 32.14 H new ATOM 0 HG21 THR A 50 2.374 -8.724 20.417 1.00 41.40 H new ATOM 0 HG22 THR A 50 2.462 -8.454 18.660 1.00 41.40 H new ATOM 0 HG23 THR A 50 1.036 -7.907 19.574 1.00 41.40 H new ATOM 762 N VAL A 51 1.396 -11.251 16.184 1.00 33.41 N ATOM 763 CA VAL A 51 2.272 -11.441 15.034 1.00 21.45 C ATOM 764 C VAL A 51 1.640 -10.885 13.764 1.00 51.13 C ATOM 765 O VAL A 51 2.262 -10.112 13.035 1.00 63.12 O ATOM 766 CB VAL A 51 2.603 -12.930 14.821 1.00 74.52 C ATOM 767 CG1 VAL A 51 2.899 -13.207 13.355 1.00 43.33 C ATOM 768 CG2 VAL A 51 3.774 -13.347 15.698 1.00 74.11 C ATOM 0 H VAL A 51 0.919 -12.097 16.494 1.00 33.41 H new ATOM 0 HA VAL A 51 3.193 -10.898 15.245 1.00 21.45 H new ATOM 0 HB VAL A 51 1.734 -13.522 15.110 1.00 74.52 H new ATOM 0 HG11 VAL A 51 3.131 -14.264 13.224 1.00 43.33 H new ATOM 0 HG12 VAL A 51 2.028 -12.949 12.753 1.00 43.33 H new ATOM 0 HG13 VAL A 51 3.751 -12.607 13.036 1.00 43.33 H new ATOM 0 HG21 VAL A 51 3.994 -14.402 15.534 1.00 74.11 H new ATOM 0 HG22 VAL A 51 4.650 -12.750 15.443 1.00 74.11 H new ATOM 0 HG23 VAL A 51 3.519 -13.188 16.746 1.00 74.11 H new ATOM 778 N PHE A 52 0.399 -11.283 13.504 1.00 51.53 N ATOM 779 CA PHE A 52 -0.319 -10.824 12.320 1.00 43.20 C ATOM 780 C PHE A 52 -0.708 -9.355 12.455 1.00 11.32 C ATOM 781 O PHE A 52 -0.930 -8.665 11.459 1.00 30.01 O ATOM 782 CB PHE A 52 -1.569 -11.676 12.094 1.00 54.23 C ATOM 783 CG PHE A 52 -2.208 -11.459 10.752 1.00 43.25 C ATOM 784 CD1 PHE A 52 -3.089 -10.409 10.550 1.00 1.23 C ATOM 785 CD2 PHE A 52 -1.927 -12.305 9.691 1.00 21.42 C ATOM 786 CE1 PHE A 52 -3.678 -10.206 9.316 1.00 21.14 C ATOM 787 CE2 PHE A 52 -2.512 -12.107 8.455 1.00 73.40 C ATOM 788 CZ PHE A 52 -3.390 -11.057 8.268 1.00 62.34 C ATOM 0 H PHE A 52 -0.130 -11.922 14.097 1.00 51.53 H new ATOM 0 HA PHE A 52 0.343 -10.928 11.461 1.00 43.20 H new ATOM 0 HB2 PHE A 52 -1.305 -12.729 12.196 1.00 54.23 H new ATOM 0 HB3 PHE A 52 -2.297 -11.453 12.874 1.00 54.23 H new ATOM 0 HD1 PHE A 52 -3.318 -9.741 11.367 1.00 1.23 H new ATOM 0 HD2 PHE A 52 -1.243 -13.129 9.832 1.00 21.42 H new ATOM 0 HE1 PHE A 52 -4.362 -9.383 9.172 1.00 21.14 H new ATOM 0 HE2 PHE A 52 -2.283 -12.773 7.636 1.00 73.40 H new ATOM 0 HZ PHE A 52 -3.850 -10.902 7.303 1.00 62.34 H new ATOM 798 N LEU A 53 -0.790 -8.882 13.694 1.00 23.31 N ATOM 799 CA LEU A 53 -1.153 -7.495 13.962 1.00 42.04 C ATOM 800 C LEU A 53 -0.068 -6.543 13.467 1.00 74.22 C ATOM 801 O LEU A 53 -0.334 -5.642 12.670 1.00 33.03 O ATOM 802 CB LEU A 53 -1.385 -7.288 15.459 1.00 2.53 C ATOM 803 CG LEU A 53 -1.055 -5.897 16.003 1.00 21.14 C ATOM 804 CD1 LEU A 53 -1.892 -4.838 15.303 1.00 2.45 C ATOM 805 CD2 LEU A 53 -1.277 -5.847 17.508 1.00 1.30 C ATOM 0 H LEU A 53 -0.610 -9.439 14.529 1.00 23.31 H new ATOM 0 HA LEU A 53 -2.076 -7.276 13.424 1.00 42.04 H new ATOM 0 HB2 LEU A 53 -2.431 -7.503 15.677 1.00 2.53 H new ATOM 0 HB3 LEU A 53 -0.789 -8.020 16.003 1.00 2.53 H new ATOM 0 HG LEU A 53 -0.004 -5.689 15.804 1.00 21.14 H new ATOM 0 HD11 LEU A 53 -1.644 -3.855 15.703 1.00 2.45 H new ATOM 0 HD12 LEU A 53 -1.683 -4.858 14.233 1.00 2.45 H new ATOM 0 HD13 LEU A 53 -2.950 -5.041 15.470 1.00 2.45 H new ATOM 0 HD21 LEU A 53 -1.037 -4.850 17.878 1.00 1.30 H new ATOM 0 HD22 LEU A 53 -2.319 -6.076 17.730 1.00 1.30 H new ATOM 0 HD23 LEU A 53 -0.633 -6.579 17.995 1.00 1.30 H new ATOM 817 N LEU A 54 1.155 -6.750 13.942 1.00 72.21 N ATOM 818 CA LEU A 54 2.281 -5.912 13.546 1.00 3.02 C ATOM 819 C LEU A 54 2.442 -5.897 12.029 1.00 3.34 C ATOM 820 O LEU A 54 2.682 -4.848 11.430 1.00 1.43 O ATOM 821 CB LEU A 54 3.570 -6.412 14.202 1.00 14.12 C ATOM 822 CG LEU A 54 4.624 -5.348 14.507 1.00 44.43 C ATOM 823 CD1 LEU A 54 4.404 -4.758 15.891 1.00 33.01 C ATOM 824 CD2 LEU A 54 6.023 -5.935 14.392 1.00 25.21 C ATOM 0 H LEU A 54 1.392 -7.491 14.602 1.00 72.21 H new ATOM 0 HA LEU A 54 2.080 -4.895 13.882 1.00 3.02 H new ATOM 0 HB2 LEU A 54 3.309 -6.914 15.134 1.00 14.12 H new ATOM 0 HB3 LEU A 54 4.018 -7.162 13.551 1.00 14.12 H new ATOM 0 HG LEU A 54 4.526 -4.547 13.774 1.00 44.43 H new ATOM 0 HD11 LEU A 54 5.164 -4.003 16.090 1.00 33.01 H new ATOM 0 HD12 LEU A 54 3.416 -4.300 15.938 1.00 33.01 H new ATOM 0 HD13 LEU A 54 4.474 -5.548 16.639 1.00 33.01 H new ATOM 0 HD21 LEU A 54 6.761 -5.163 14.612 1.00 25.21 H new ATOM 0 HD22 LEU A 54 6.133 -6.755 15.101 1.00 25.21 H new ATOM 0 HD23 LEU A 54 6.179 -6.308 13.380 1.00 25.21 H new ATOM 836 N LEU A 55 2.307 -7.066 11.414 1.00 71.03 N ATOM 837 CA LEU A 55 2.435 -7.187 9.966 1.00 70.44 C ATOM 838 C LEU A 55 1.535 -6.183 9.253 1.00 33.12 C ATOM 839 O LEU A 55 1.953 -5.528 8.298 1.00 4.35 O ATOM 840 CB LEU A 55 2.085 -8.608 9.520 1.00 23.53 C ATOM 841 CG LEU A 55 3.133 -9.320 8.664 1.00 71.43 C ATOM 842 CD1 LEU A 55 2.581 -10.632 8.126 1.00 43.41 C ATOM 843 CD2 LEU A 55 3.588 -8.423 7.522 1.00 11.12 C ATOM 0 H LEU A 55 2.109 -7.943 11.895 1.00 71.03 H new ATOM 0 HA LEU A 55 3.470 -6.973 9.699 1.00 70.44 H new ATOM 0 HB2 LEU A 55 1.900 -9.211 10.409 1.00 23.53 H new ATOM 0 HB3 LEU A 55 1.151 -8.572 8.960 1.00 23.53 H new ATOM 0 HG LEU A 55 3.996 -9.542 9.291 1.00 71.43 H new ATOM 0 HD11 LEU A 55 3.341 -11.125 7.519 1.00 43.41 H new ATOM 0 HD12 LEU A 55 2.305 -11.279 8.958 1.00 43.41 H new ATOM 0 HD13 LEU A 55 1.701 -10.433 7.514 1.00 43.41 H new ATOM 0 HD21 LEU A 55 4.334 -8.946 6.923 1.00 11.12 H new ATOM 0 HD22 LEU A 55 2.733 -8.169 6.896 1.00 11.12 H new ATOM 0 HD23 LEU A 55 4.024 -7.510 7.928 1.00 11.12 H new ATOM 855 N ILE A 56 0.298 -6.066 9.725 1.00 61.31 N ATOM 856 CA ILE A 56 -0.660 -5.139 9.135 1.00 24.21 C ATOM 857 C ILE A 56 -0.199 -3.695 9.300 1.00 52.35 C ATOM 858 O ILE A 56 -0.510 -2.834 8.475 1.00 30.13 O ATOM 859 CB ILE A 56 -2.056 -5.296 9.765 1.00 12.10 C ATOM 860 CG1 ILE A 56 -2.635 -6.674 9.439 1.00 21.30 C ATOM 861 CG2 ILE A 56 -2.985 -4.196 9.274 1.00 12.30 C ATOM 862 CD1 ILE A 56 -2.821 -6.916 7.958 1.00 74.35 C ATOM 0 H ILE A 56 -0.064 -6.601 10.514 1.00 61.31 H new ATOM 0 HA ILE A 56 -0.721 -5.380 8.074 1.00 24.21 H new ATOM 0 HB ILE A 56 -1.962 -5.209 10.847 1.00 12.10 H new ATOM 0 HG12 ILE A 56 -1.975 -7.441 9.844 1.00 21.30 H new ATOM 0 HG13 ILE A 56 -3.597 -6.783 9.940 1.00 21.30 H new ATOM 0 HG21 ILE A 56 -3.968 -4.320 9.728 1.00 12.30 H new ATOM 0 HG22 ILE A 56 -2.577 -3.224 9.552 1.00 12.30 H new ATOM 0 HG23 ILE A 56 -3.076 -4.254 8.189 1.00 12.30 H new ATOM 0 HD11 ILE A 56 -3.235 -7.912 7.801 1.00 74.35 H new ATOM 0 HD12 ILE A 56 -3.504 -6.171 7.551 1.00 74.35 H new ATOM 0 HD13 ILE A 56 -1.858 -6.840 7.453 1.00 74.35 H new ATOM 874 N THR A 57 0.546 -3.435 10.370 1.00 51.15 N ATOM 875 CA THR A 57 1.050 -2.095 10.643 1.00 63.14 C ATOM 876 C THR A 57 2.288 -1.793 9.806 1.00 41.40 C ATOM 877 O THR A 57 2.739 -0.650 9.740 1.00 3.34 O ATOM 878 CB THR A 57 1.396 -1.918 12.133 1.00 22.11 C ATOM 879 OG1 THR A 57 2.706 -2.434 12.397 1.00 74.01 O ATOM 880 CG2 THR A 57 0.379 -2.629 13.013 1.00 52.21 C ATOM 0 H THR A 57 0.814 -4.135 11.062 1.00 51.15 H new ATOM 0 HA THR A 57 0.256 -1.398 10.377 1.00 63.14 H new ATOM 0 HB THR A 57 1.372 -0.853 12.364 1.00 22.11 H new ATOM 0 HG1 THR A 57 2.746 -3.376 12.130 1.00 74.01 H new ATOM 0 HG21 THR A 57 0.644 -2.490 14.061 1.00 52.21 H new ATOM 0 HG22 THR A 57 -0.612 -2.214 12.831 1.00 52.21 H new ATOM 0 HG23 THR A 57 0.375 -3.693 12.778 1.00 52.21 H new ATOM 888 N GLU A 58 2.832 -2.824 9.168 1.00 60.14 N ATOM 889 CA GLU A 58 4.019 -2.667 8.335 1.00 54.32 C ATOM 890 C GLU A 58 3.639 -2.216 6.927 1.00 4.21 C ATOM 891 O GLU A 58 4.316 -1.379 6.329 1.00 40.21 O ATOM 892 CB GLU A 58 4.800 -3.980 8.268 1.00 21.53 C ATOM 893 CG GLU A 58 5.190 -4.526 9.632 1.00 62.35 C ATOM 894 CD GLU A 58 6.646 -4.267 9.969 1.00 14.01 C ATOM 895 OE1 GLU A 58 7.514 -5.000 9.451 1.00 31.21 O ATOM 896 OE2 GLU A 58 6.916 -3.332 10.751 1.00 44.21 O ATOM 0 H GLU A 58 2.470 -3.777 9.212 1.00 60.14 H new ATOM 0 HA GLU A 58 4.649 -1.901 8.786 1.00 54.32 H new ATOM 0 HB2 GLU A 58 4.199 -4.725 7.746 1.00 21.53 H new ATOM 0 HB3 GLU A 58 5.702 -3.827 7.676 1.00 21.53 H new ATOM 0 HG2 GLU A 58 4.558 -4.072 10.395 1.00 62.35 H new ATOM 0 HG3 GLU A 58 5.000 -5.599 9.658 1.00 62.35 H new ATOM 903 N ILE A 59 2.554 -2.777 6.405 1.00 63.12 N ATOM 904 CA ILE A 59 2.085 -2.433 5.068 1.00 31.14 C ATOM 905 C ILE A 59 1.357 -1.093 5.069 1.00 34.35 C ATOM 906 O ILE A 59 1.218 -0.450 4.029 1.00 44.22 O ATOM 907 CB ILE A 59 1.144 -3.515 4.506 1.00 25.40 C ATOM 908 CG1 ILE A 59 -0.148 -3.574 5.324 1.00 64.15 C ATOM 909 CG2 ILE A 59 1.838 -4.870 4.503 1.00 54.33 C ATOM 910 CD1 ILE A 59 -0.969 -4.818 5.066 1.00 14.33 C ATOM 0 H ILE A 59 1.983 -3.471 6.887 1.00 63.12 H new ATOM 0 HA ILE A 59 2.967 -2.364 4.432 1.00 31.14 H new ATOM 0 HB ILE A 59 0.889 -3.256 3.478 1.00 25.40 H new ATOM 0 HG12 ILE A 59 0.100 -3.525 6.384 1.00 64.15 H new ATOM 0 HG13 ILE A 59 -0.753 -2.696 5.097 1.00 64.15 H new ATOM 0 HG21 ILE A 59 1.161 -5.625 4.103 1.00 54.33 H new ATOM 0 HG22 ILE A 59 2.732 -4.819 3.882 1.00 54.33 H new ATOM 0 HG23 ILE A 59 2.118 -5.137 5.522 1.00 54.33 H new ATOM 0 HD11 ILE A 59 -1.870 -4.793 5.679 1.00 14.33 H new ATOM 0 HD12 ILE A 59 -1.248 -4.858 4.013 1.00 14.33 H new ATOM 0 HD13 ILE A 59 -0.382 -5.701 5.320 1.00 14.33 H new ATOM 922 N ILE A 60 0.894 -0.678 6.244 1.00 24.41 N ATOM 923 CA ILE A 60 0.183 0.586 6.381 1.00 41.40 C ATOM 924 C ILE A 60 -0.964 0.683 5.380 1.00 4.44 C ATOM 925 O ILE A 60 -0.898 1.416 4.393 1.00 75.31 O ATOM 926 CB ILE A 60 1.126 1.787 6.181 1.00 5.35 C ATOM 927 CG1 ILE A 60 2.382 1.626 7.041 1.00 32.13 C ATOM 928 CG2 ILE A 60 0.410 3.086 6.520 1.00 74.14 C ATOM 929 CD1 ILE A 60 3.648 1.441 6.234 1.00 54.51 C ATOM 0 H ILE A 60 0.999 -1.199 7.114 1.00 24.41 H new ATOM 0 HA ILE A 60 -0.218 0.614 7.394 1.00 41.40 H new ATOM 0 HB ILE A 60 1.426 1.823 5.134 1.00 5.35 H new ATOM 0 HG12 ILE A 60 2.492 2.504 7.677 1.00 32.13 H new ATOM 0 HG13 ILE A 60 2.253 0.768 7.701 1.00 32.13 H new ATOM 0 HG21 ILE A 60 1.090 3.925 6.374 1.00 74.14 H new ATOM 0 HG22 ILE A 60 -0.457 3.204 5.870 1.00 74.14 H new ATOM 0 HG23 ILE A 60 0.083 3.061 7.560 1.00 74.14 H new ATOM 0 HD11 ILE A 60 4.497 1.333 6.909 1.00 54.51 H new ATOM 0 HD12 ILE A 60 3.559 0.547 5.617 1.00 54.51 H new ATOM 0 HD13 ILE A 60 3.801 2.310 5.593 1.00 54.51 H new ATOM 941 N PRO A 61 -2.041 -0.071 5.641 1.00 74.43 N ATOM 942 CA PRO A 61 -3.225 -0.087 4.776 1.00 42.52 C ATOM 943 C PRO A 61 -4.005 1.222 4.838 1.00 41.20 C ATOM 944 O PRO A 61 -4.427 1.754 3.811 1.00 71.50 O ATOM 945 CB PRO A 61 -4.063 -1.236 5.341 1.00 2.14 C ATOM 946 CG PRO A 61 -3.643 -1.345 6.767 1.00 71.24 C ATOM 947 CD PRO A 61 -2.188 -0.968 6.800 1.00 42.12 C ATOM 0 HA PRO A 61 -2.961 -0.211 3.726 1.00 42.52 H new ATOM 0 HB2 PRO A 61 -5.129 -1.027 5.257 1.00 2.14 H new ATOM 0 HB3 PRO A 61 -3.877 -2.165 4.801 1.00 2.14 H new ATOM 0 HG2 PRO A 61 -4.233 -0.681 7.399 1.00 71.24 H new ATOM 0 HG3 PRO A 61 -3.792 -2.358 7.142 1.00 71.24 H new ATOM 0 HD2 PRO A 61 -1.924 -0.467 7.731 1.00 42.12 H new ATOM 0 HD3 PRO A 61 -1.544 -1.843 6.715 1.00 42.12 H new ATOM 1043 N SER A 69 -11.705 -1.465 6.073 1.00 35.13 N ATOM 1044 CA SER A 69 -10.375 -1.910 6.470 1.00 4.31 C ATOM 1045 C SER A 69 -10.460 -2.992 7.542 1.00 75.45 C ATOM 1046 O SER A 69 -11.456 -3.093 8.260 1.00 43.54 O ATOM 1047 CB SER A 69 -9.552 -0.728 6.988 1.00 73.01 C ATOM 1048 OG SER A 69 -9.238 0.173 5.940 1.00 62.41 O ATOM 0 HA SER A 69 -9.884 -2.330 5.593 1.00 4.31 H new ATOM 0 HB2 SER A 69 -10.109 -0.206 7.766 1.00 73.01 H new ATOM 0 HB3 SER A 69 -8.633 -1.094 7.445 1.00 73.01 H new ATOM 0 HG SER A 69 -9.979 0.201 5.300 1.00 62.41 H new ATOM 1054 N ILE A 70 -9.411 -3.801 7.642 1.00 4.55 N ATOM 1055 CA ILE A 70 -9.366 -4.875 8.626 1.00 32.22 C ATOM 1056 C ILE A 70 -9.242 -4.320 10.041 1.00 33.42 C ATOM 1057 O ILE A 70 -9.447 -5.037 11.020 1.00 3.22 O ATOM 1058 CB ILE A 70 -8.192 -5.835 8.359 1.00 61.24 C ATOM 1059 CG1 ILE A 70 -8.395 -7.148 9.117 1.00 33.31 C ATOM 1060 CG2 ILE A 70 -6.875 -5.185 8.757 1.00 33.41 C ATOM 1061 CD1 ILE A 70 -7.291 -8.156 8.887 1.00 71.31 C ATOM 0 H ILE A 70 -8.581 -3.733 7.053 1.00 4.55 H new ATOM 0 HA ILE A 70 -10.303 -5.425 8.535 1.00 32.22 H new ATOM 0 HB ILE A 70 -8.158 -6.055 7.292 1.00 61.24 H new ATOM 0 HG12 ILE A 70 -8.465 -6.935 10.184 1.00 33.31 H new ATOM 0 HG13 ILE A 70 -9.346 -7.588 8.817 1.00 33.31 H new ATOM 0 HG21 ILE A 70 -6.055 -5.876 8.562 1.00 33.41 H new ATOM 0 HG22 ILE A 70 -6.728 -4.275 8.176 1.00 33.41 H new ATOM 0 HG23 ILE A 70 -6.897 -4.938 9.818 1.00 33.41 H new ATOM 0 HD11 ILE A 70 -7.501 -9.062 9.455 1.00 71.31 H new ATOM 0 HD12 ILE A 70 -7.235 -8.398 7.826 1.00 71.31 H new ATOM 0 HD13 ILE A 70 -6.340 -7.735 9.214 1.00 71.31 H new ATOM 1073 N GLY A 71 -8.907 -3.037 10.141 1.00 74.50 N ATOM 1074 CA GLY A 71 -8.764 -2.407 11.440 1.00 21.23 C ATOM 1075 C GLY A 71 -9.980 -2.612 12.321 1.00 13.34 C ATOM 1076 O GLY A 71 -9.871 -2.622 13.547 1.00 34.10 O ATOM 0 H GLY A 71 -8.732 -2.423 9.345 1.00 74.50 H new ATOM 0 HA2 GLY A 71 -7.884 -2.810 11.941 1.00 21.23 H new ATOM 0 HA3 GLY A 71 -8.593 -1.339 11.305 1.00 21.23 H new ATOM 1080 N GLU A 72 -11.142 -2.773 11.696 1.00 71.03 N ATOM 1081 CA GLU A 72 -12.384 -2.975 12.433 1.00 70.45 C ATOM 1082 C GLU A 72 -12.516 -4.426 12.888 1.00 53.21 C ATOM 1083 O GLU A 72 -13.101 -4.709 13.934 1.00 54.43 O ATOM 1084 CB GLU A 72 -13.585 -2.590 11.567 1.00 52.42 C ATOM 1085 CG GLU A 72 -13.611 -1.120 11.182 1.00 13.22 C ATOM 1086 CD GLU A 72 -14.948 -0.690 10.610 1.00 32.10 C ATOM 1087 OE1 GLU A 72 -15.970 -0.846 11.311 1.00 52.41 O ATOM 1088 OE2 GLU A 72 -14.973 -0.199 9.462 1.00 22.13 O ATOM 0 H GLU A 72 -11.249 -2.767 10.682 1.00 71.03 H new ATOM 0 HA GLU A 72 -12.361 -2.336 13.315 1.00 70.45 H new ATOM 0 HB2 GLU A 72 -13.577 -3.194 10.660 1.00 52.42 H new ATOM 0 HB3 GLU A 72 -14.502 -2.833 12.104 1.00 52.42 H new ATOM 0 HG2 GLU A 72 -13.384 -0.514 12.059 1.00 13.22 H new ATOM 0 HG3 GLU A 72 -12.827 -0.926 10.449 1.00 13.22 H new ATOM 1095 N TYR A 73 -11.969 -5.341 12.095 1.00 14.42 N ATOM 1096 CA TYR A 73 -12.028 -6.762 12.414 1.00 35.12 C ATOM 1097 C TYR A 73 -11.033 -7.115 13.515 1.00 32.22 C ATOM 1098 O TYR A 73 -11.382 -7.775 14.496 1.00 44.44 O ATOM 1099 CB TYR A 73 -11.743 -7.599 11.166 1.00 50.32 C ATOM 1100 CG TYR A 73 -11.350 -9.027 11.471 1.00 41.54 C ATOM 1101 CD1 TYR A 73 -12.294 -9.952 11.897 1.00 72.11 C ATOM 1102 CD2 TYR A 73 -10.034 -9.450 11.331 1.00 21.21 C ATOM 1103 CE1 TYR A 73 -11.939 -11.257 12.177 1.00 32.42 C ATOM 1104 CE2 TYR A 73 -9.670 -10.754 11.608 1.00 51.13 C ATOM 1105 CZ TYR A 73 -10.626 -11.653 12.031 1.00 71.51 C ATOM 1106 OH TYR A 73 -10.269 -12.953 12.308 1.00 63.23 O ATOM 0 H TYR A 73 -11.480 -5.124 11.227 1.00 14.42 H new ATOM 0 HA TYR A 73 -13.033 -6.986 12.772 1.00 35.12 H new ATOM 0 HB2 TYR A 73 -12.629 -7.603 10.531 1.00 50.32 H new ATOM 0 HB3 TYR A 73 -10.944 -7.125 10.596 1.00 50.32 H new ATOM 0 HD1 TYR A 73 -13.323 -9.646 12.011 1.00 72.11 H new ATOM 0 HD2 TYR A 73 -9.283 -8.748 11.000 1.00 21.21 H new ATOM 0 HE1 TYR A 73 -12.686 -11.964 12.508 1.00 32.42 H new ATOM 0 HE2 TYR A 73 -8.643 -11.067 11.494 1.00 51.13 H new ATOM 0 HH TYR A 73 -9.308 -13.068 12.154 1.00 63.23 H new ATOM 1116 N LEU A 74 -9.793 -6.671 13.347 1.00 64.14 N ATOM 1117 CA LEU A 74 -8.745 -6.938 14.326 1.00 64.54 C ATOM 1118 C LEU A 74 -9.133 -6.401 15.699 1.00 22.34 C ATOM 1119 O LEU A 74 -8.745 -6.958 16.728 1.00 55.13 O ATOM 1120 CB LEU A 74 -7.425 -6.310 13.874 1.00 71.12 C ATOM 1121 CG LEU A 74 -6.378 -7.275 13.316 1.00 32.24 C ATOM 1122 CD1 LEU A 74 -5.350 -6.525 12.484 1.00 53.12 C ATOM 1123 CD2 LEU A 74 -5.699 -8.036 14.446 1.00 75.31 C ATOM 0 H LEU A 74 -9.488 -6.124 12.542 1.00 64.14 H new ATOM 0 HA LEU A 74 -8.619 -8.018 14.401 1.00 64.54 H new ATOM 0 HB2 LEU A 74 -7.644 -5.563 13.111 1.00 71.12 H new ATOM 0 HB3 LEU A 74 -6.988 -5.782 14.722 1.00 71.12 H new ATOM 0 HG LEU A 74 -6.882 -7.994 12.671 1.00 32.24 H new ATOM 0 HD11 LEU A 74 -4.613 -7.228 12.095 1.00 53.12 H new ATOM 0 HD12 LEU A 74 -5.849 -6.026 11.653 1.00 53.12 H new ATOM 0 HD13 LEU A 74 -4.850 -5.783 13.106 1.00 53.12 H new ATOM 0 HD21 LEU A 74 -4.957 -8.718 14.031 1.00 75.31 H new ATOM 0 HD22 LEU A 74 -5.208 -7.330 15.116 1.00 75.31 H new ATOM 0 HD23 LEU A 74 -6.445 -8.605 15.001 1.00 75.31 H new ATOM 1135 N LEU A 75 -9.902 -5.318 15.709 1.00 5.05 N ATOM 1136 CA LEU A 75 -10.345 -4.706 16.957 1.00 30.13 C ATOM 1137 C LEU A 75 -11.496 -5.496 17.572 1.00 54.42 C ATOM 1138 O LEU A 75 -11.447 -5.877 18.741 1.00 21.14 O ATOM 1139 CB LEU A 75 -10.777 -3.259 16.714 1.00 43.04 C ATOM 1140 CG LEU A 75 -10.710 -2.326 17.923 1.00 11.11 C ATOM 1141 CD1 LEU A 75 -9.282 -1.861 18.161 1.00 42.24 C ATOM 1142 CD2 LEU A 75 -11.636 -1.134 17.729 1.00 43.24 C ATOM 0 H LEU A 75 -10.232 -4.846 14.867 1.00 5.05 H new ATOM 0 HA LEU A 75 -9.508 -4.716 17.655 1.00 30.13 H new ATOM 0 HB2 LEU A 75 -10.152 -2.842 15.924 1.00 43.04 H new ATOM 0 HB3 LEU A 75 -11.801 -3.265 16.341 1.00 43.04 H new ATOM 0 HG LEU A 75 -11.041 -2.879 18.802 1.00 11.11 H new ATOM 0 HD11 LEU A 75 -9.255 -1.198 19.026 1.00 42.24 H new ATOM 0 HD12 LEU A 75 -8.644 -2.725 18.346 1.00 42.24 H new ATOM 0 HD13 LEU A 75 -8.922 -1.326 17.282 1.00 42.24 H new ATOM 0 HD21 LEU A 75 -11.575 -0.481 18.599 1.00 43.24 H new ATOM 0 HD22 LEU A 75 -11.336 -0.581 16.839 1.00 43.24 H new ATOM 0 HD23 LEU A 75 -12.661 -1.485 17.610 1.00 43.24 H new ATOM 1154 N PHE A 76 -12.532 -5.739 16.775 1.00 23.10 N ATOM 1155 CA PHE A 76 -13.696 -6.485 17.240 1.00 4.40 C ATOM 1156 C PHE A 76 -13.307 -7.904 17.643 1.00 2.14 C ATOM 1157 O PHE A 76 -13.969 -8.531 18.471 1.00 10.43 O ATOM 1158 CB PHE A 76 -14.769 -6.528 16.150 1.00 3.23 C ATOM 1159 CG PHE A 76 -15.815 -5.460 16.296 1.00 22.04 C ATOM 1160 CD1 PHE A 76 -15.484 -4.123 16.151 1.00 44.42 C ATOM 1161 CD2 PHE A 76 -17.129 -5.794 16.580 1.00 54.22 C ATOM 1162 CE1 PHE A 76 -16.444 -3.137 16.284 1.00 20.43 C ATOM 1163 CE2 PHE A 76 -18.094 -4.813 16.714 1.00 70.20 C ATOM 1164 CZ PHE A 76 -17.751 -3.483 16.567 1.00 23.33 C ATOM 0 H PHE A 76 -12.589 -5.430 15.805 1.00 23.10 H new ATOM 0 HA PHE A 76 -14.098 -5.975 18.116 1.00 4.40 H new ATOM 0 HB2 PHE A 76 -14.290 -6.426 15.176 1.00 3.23 H new ATOM 0 HB3 PHE A 76 -15.253 -7.504 16.166 1.00 3.23 H new ATOM 0 HD1 PHE A 76 -14.463 -3.847 15.931 1.00 44.42 H new ATOM 0 HD2 PHE A 76 -17.403 -6.832 16.698 1.00 54.22 H new ATOM 0 HE1 PHE A 76 -16.173 -2.098 16.167 1.00 20.43 H new ATOM 0 HE2 PHE A 76 -19.116 -5.086 16.934 1.00 70.20 H new ATOM 0 HZ PHE A 76 -18.503 -2.715 16.673 1.00 23.33 H new ATOM 1174 N THR A 77 -12.227 -8.406 17.052 1.00 75.44 N ATOM 1175 CA THR A 77 -11.750 -9.751 17.347 1.00 74.53 C ATOM 1176 C THR A 77 -11.060 -9.804 18.705 1.00 72.42 C ATOM 1177 O THR A 77 -11.373 -10.655 19.537 1.00 1.15 O ATOM 1178 CB THR A 77 -10.772 -10.250 16.267 1.00 60.15 C ATOM 1179 OG1 THR A 77 -11.450 -10.375 15.011 1.00 1.44 O ATOM 1180 CG2 THR A 77 -10.170 -11.591 16.659 1.00 72.01 C ATOM 0 H THR A 77 -11.666 -7.901 16.366 1.00 75.44 H new ATOM 0 HA THR A 77 -12.625 -10.400 17.362 1.00 74.53 H new ATOM 0 HB THR A 77 -9.967 -9.521 16.174 1.00 60.15 H new ATOM 0 HG1 THR A 77 -11.383 -9.531 14.518 1.00 1.44 H new ATOM 0 HG21 THR A 77 -9.483 -11.923 15.881 1.00 72.01 H new ATOM 0 HG22 THR A 77 -9.630 -11.486 17.600 1.00 72.01 H new ATOM 0 HG23 THR A 77 -10.966 -12.326 16.778 1.00 72.01 H new ATOM 1188 N MET A 78 -10.121 -8.890 18.922 1.00 44.00 N ATOM 1189 CA MET A 78 -9.388 -8.832 20.181 1.00 25.23 C ATOM 1190 C MET A 78 -10.345 -8.710 21.363 1.00 42.35 C ATOM 1191 O MET A 78 -10.086 -9.245 22.441 1.00 72.32 O ATOM 1192 CB MET A 78 -8.413 -7.653 20.175 1.00 10.12 C ATOM 1193 CG MET A 78 -7.096 -7.956 19.480 1.00 60.45 C ATOM 1194 SD MET A 78 -5.880 -6.642 19.691 1.00 62.12 S ATOM 1195 CE MET A 78 -6.054 -5.767 18.138 1.00 13.40 C ATOM 0 H MET A 78 -9.850 -8.179 18.243 1.00 44.00 H new ATOM 0 HA MET A 78 -8.825 -9.759 20.287 1.00 25.23 H new ATOM 0 HB2 MET A 78 -8.887 -6.803 19.683 1.00 10.12 H new ATOM 0 HB3 MET A 78 -8.211 -7.354 21.204 1.00 10.12 H new ATOM 0 HG2 MET A 78 -6.689 -8.888 19.872 1.00 60.45 H new ATOM 0 HG3 MET A 78 -7.278 -8.110 18.416 1.00 60.45 H new ATOM 0 HE1 MET A 78 -5.364 -4.923 18.117 1.00 13.40 H new ATOM 0 HE2 MET A 78 -5.827 -6.442 17.313 1.00 13.40 H new ATOM 0 HE3 MET A 78 -7.076 -5.403 18.038 1.00 13.40 H new ATOM 1205 N ILE A 79 -11.450 -8.002 21.152 1.00 24.11 N ATOM 1206 CA ILE A 79 -12.445 -7.811 22.200 1.00 42.23 C ATOM 1207 C ILE A 79 -13.271 -9.075 22.410 1.00 31.04 C ATOM 1208 O ILE A 79 -13.715 -9.362 23.523 1.00 43.44 O ATOM 1209 CB ILE A 79 -13.391 -6.641 21.870 1.00 32.34 C ATOM 1210 CG1 ILE A 79 -12.649 -5.308 21.983 1.00 24.44 C ATOM 1211 CG2 ILE A 79 -14.599 -6.661 22.795 1.00 11.02 C ATOM 1212 CD1 ILE A 79 -13.340 -4.169 21.268 1.00 12.12 C ATOM 0 H ILE A 79 -11.678 -7.552 20.266 1.00 24.11 H new ATOM 0 HA ILE A 79 -11.900 -7.580 23.115 1.00 42.23 H new ATOM 0 HB ILE A 79 -13.741 -6.754 20.844 1.00 32.34 H new ATOM 0 HG12 ILE A 79 -12.539 -5.051 23.037 1.00 24.44 H new ATOM 0 HG13 ILE A 79 -11.644 -5.425 21.577 1.00 24.44 H new ATOM 0 HG21 ILE A 79 -15.259 -5.829 22.550 1.00 11.02 H new ATOM 0 HG22 ILE A 79 -15.138 -7.600 22.669 1.00 11.02 H new ATOM 0 HG23 ILE A 79 -14.267 -6.569 23.829 1.00 11.02 H new ATOM 0 HD11 ILE A 79 -12.758 -3.256 21.391 1.00 12.12 H new ATOM 0 HD12 ILE A 79 -13.427 -4.404 20.207 1.00 12.12 H new ATOM 0 HD13 ILE A 79 -14.335 -4.025 21.690 1.00 12.12 H new ATOM 1224 N PHE A 80 -13.473 -9.829 21.335 1.00 30.31 N ATOM 1225 CA PHE A 80 -14.245 -11.064 21.402 1.00 75.43 C ATOM 1226 C PHE A 80 -13.463 -12.157 22.124 1.00 63.23 C ATOM 1227 O PHE A 80 -13.937 -12.732 23.104 1.00 61.04 O ATOM 1228 CB PHE A 80 -14.619 -11.534 19.994 1.00 2.10 C ATOM 1229 CG PHE A 80 -15.761 -12.509 19.971 1.00 61.04 C ATOM 1230 CD1 PHE A 80 -17.069 -12.062 19.879 1.00 12.22 C ATOM 1231 CD2 PHE A 80 -15.526 -13.873 20.039 1.00 14.24 C ATOM 1232 CE1 PHE A 80 -18.122 -12.957 19.858 1.00 1.03 C ATOM 1233 CE2 PHE A 80 -16.575 -14.773 20.018 1.00 12.14 C ATOM 1234 CZ PHE A 80 -17.875 -14.314 19.927 1.00 63.23 C ATOM 0 H PHE A 80 -13.113 -9.607 20.407 1.00 30.31 H new ATOM 0 HA PHE A 80 -15.156 -10.862 21.965 1.00 75.43 H new ATOM 0 HB2 PHE A 80 -14.880 -10.667 19.388 1.00 2.10 H new ATOM 0 HB3 PHE A 80 -13.748 -11.996 19.531 1.00 2.10 H new ATOM 0 HD1 PHE A 80 -17.268 -11.002 19.823 1.00 12.22 H new ATOM 0 HD2 PHE A 80 -14.512 -14.237 20.109 1.00 14.24 H new ATOM 0 HE1 PHE A 80 -19.137 -12.595 19.788 1.00 1.03 H new ATOM 0 HE2 PHE A 80 -16.379 -15.834 20.073 1.00 12.14 H new ATOM 0 HZ PHE A 80 -18.696 -15.015 19.910 1.00 63.23 H new ATOM 1244 N VAL A 81 -12.261 -12.439 21.631 1.00 24.34 N ATOM 1245 CA VAL A 81 -11.411 -13.462 22.229 1.00 63.53 C ATOM 1246 C VAL A 81 -11.188 -13.195 23.713 1.00 55.41 C ATOM 1247 O VAL A 81 -11.056 -14.124 24.511 1.00 42.55 O ATOM 1248 CB VAL A 81 -10.044 -13.540 21.522 1.00 54.00 C ATOM 1249 CG1 VAL A 81 -10.220 -13.920 20.060 1.00 71.42 C ATOM 1250 CG2 VAL A 81 -9.302 -12.219 21.652 1.00 11.42 C ATOM 0 H VAL A 81 -11.854 -11.974 20.820 1.00 24.34 H new ATOM 0 HA VAL A 81 -11.930 -14.413 22.108 1.00 63.53 H new ATOM 0 HB VAL A 81 -9.448 -14.315 22.005 1.00 54.00 H new ATOM 0 HG11 VAL A 81 -9.244 -13.970 19.577 1.00 71.42 H new ATOM 0 HG12 VAL A 81 -10.708 -14.892 19.993 1.00 71.42 H new ATOM 0 HG13 VAL A 81 -10.834 -13.170 19.561 1.00 71.42 H new ATOM 0 HG21 VAL A 81 -8.339 -12.292 21.147 1.00 11.42 H new ATOM 0 HG22 VAL A 81 -9.892 -11.424 21.196 1.00 11.42 H new ATOM 0 HG23 VAL A 81 -9.143 -11.993 22.706 1.00 11.42 H new ATOM 1260 N THR A 82 -11.149 -11.917 24.079 1.00 51.02 N ATOM 1261 CA THR A 82 -10.942 -11.526 25.467 1.00 15.44 C ATOM 1262 C THR A 82 -12.087 -12.009 26.351 1.00 63.10 C ATOM 1263 O THR A 82 -11.865 -12.680 27.360 1.00 62.54 O ATOM 1264 CB THR A 82 -10.812 -9.997 25.607 1.00 61.23 C ATOM 1265 OG1 THR A 82 -9.514 -9.575 25.172 1.00 15.33 O ATOM 1266 CG2 THR A 82 -11.036 -9.564 27.048 1.00 63.12 C ATOM 0 H THR A 82 -11.258 -11.136 23.433 1.00 51.02 H new ATOM 0 HA THR A 82 -10.013 -11.994 25.791 1.00 15.44 H new ATOM 0 HB THR A 82 -11.574 -9.530 24.983 1.00 61.23 H new ATOM 0 HG1 THR A 82 -9.530 -9.411 24.206 1.00 15.33 H new ATOM 0 HG21 THR A 82 -10.939 -8.481 27.122 1.00 63.12 H new ATOM 0 HG22 THR A 82 -12.035 -9.861 27.366 1.00 63.12 H new ATOM 0 HG23 THR A 82 -10.294 -10.039 27.690 1.00 63.12 H new ATOM 1274 N LEU A 83 -13.311 -11.665 25.967 1.00 62.14 N ATOM 1275 CA LEU A 83 -14.491 -12.065 26.724 1.00 35.22 C ATOM 1276 C LEU A 83 -14.700 -13.574 26.650 1.00 32.44 C ATOM 1277 O LEU A 83 -15.283 -14.175 27.553 1.00 63.40 O ATOM 1278 CB LEU A 83 -15.731 -11.341 26.195 1.00 3.14 C ATOM 1279 CG LEU A 83 -15.630 -9.818 26.104 1.00 12.12 C ATOM 1280 CD1 LEU A 83 -16.770 -9.257 25.268 1.00 11.24 C ATOM 1281 CD2 LEU A 83 -15.631 -9.199 27.494 1.00 21.24 C ATOM 0 H LEU A 83 -13.512 -11.110 25.135 1.00 62.14 H new ATOM 0 HA LEU A 83 -14.334 -11.789 27.767 1.00 35.22 H new ATOM 0 HB2 LEU A 83 -15.959 -11.730 25.203 1.00 3.14 H new ATOM 0 HB3 LEU A 83 -16.575 -11.592 26.837 1.00 3.14 H new ATOM 0 HG LEU A 83 -14.689 -9.564 25.616 1.00 12.12 H new ATOM 0 HD11 LEU A 83 -16.682 -8.172 25.214 1.00 11.24 H new ATOM 0 HD12 LEU A 83 -16.724 -9.675 24.262 1.00 11.24 H new ATOM 0 HD13 LEU A 83 -17.722 -9.521 25.727 1.00 11.24 H new ATOM 0 HD21 LEU A 83 -15.558 -8.115 27.409 1.00 21.24 H new ATOM 0 HD22 LEU A 83 -16.555 -9.462 28.009 1.00 21.24 H new ATOM 0 HD23 LEU A 83 -14.780 -9.576 28.061 1.00 21.24 H new ATOM 1293 N SER A 84 -14.219 -14.181 25.570 1.00 21.01 N ATOM 1294 CA SER A 84 -14.354 -15.620 25.378 1.00 70.15 C ATOM 1295 C SER A 84 -13.478 -16.385 26.365 1.00 12.02 C ATOM 1296 O SER A 84 -13.946 -17.296 27.050 1.00 45.34 O ATOM 1297 CB SER A 84 -13.979 -16.002 23.944 1.00 1.32 C ATOM 1298 OG SER A 84 -13.110 -17.121 23.925 1.00 34.22 O ATOM 0 H SER A 84 -13.732 -13.699 24.815 1.00 21.01 H new ATOM 0 HA SER A 84 -15.395 -15.889 25.558 1.00 70.15 H new ATOM 0 HB2 SER A 84 -14.882 -16.229 23.377 1.00 1.32 H new ATOM 0 HB3 SER A 84 -13.498 -15.156 23.453 1.00 1.32 H new ATOM 0 HG SER A 84 -12.887 -17.346 22.998 1.00 34.22 H new ATOM 1304 N ILE A 85 -12.206 -16.008 26.433 1.00 1.00 N ATOM 1305 CA ILE A 85 -11.264 -16.657 27.337 1.00 15.10 C ATOM 1306 C ILE A 85 -11.659 -16.435 28.793 1.00 30.53 C ATOM 1307 O ILE A 85 -11.297 -17.218 29.672 1.00 61.12 O ATOM 1308 CB ILE A 85 -9.830 -16.140 27.121 1.00 23.44 C ATOM 1309 CG1 ILE A 85 -9.373 -16.421 25.688 1.00 33.32 C ATOM 1310 CG2 ILE A 85 -8.880 -16.783 28.121 1.00 3.21 C ATOM 1311 CD1 ILE A 85 -8.444 -15.365 25.132 1.00 12.00 C ATOM 0 H ILE A 85 -11.804 -15.256 25.873 1.00 1.00 H new ATOM 0 HA ILE A 85 -11.294 -17.723 27.113 1.00 15.10 H new ATOM 0 HB ILE A 85 -9.820 -15.062 27.280 1.00 23.44 H new ATOM 0 HG12 ILE A 85 -8.870 -17.388 25.659 1.00 33.32 H new ATOM 0 HG13 ILE A 85 -10.249 -16.498 25.044 1.00 33.32 H new ATOM 0 HG21 ILE A 85 -7.870 -16.408 27.956 1.00 3.21 H new ATOM 0 HG22 ILE A 85 -9.198 -16.537 29.134 1.00 3.21 H new ATOM 0 HG23 ILE A 85 -8.891 -17.865 27.990 1.00 3.21 H new ATOM 0 HD11 ILE A 85 -8.161 -15.629 24.113 1.00 12.00 H new ATOM 0 HD12 ILE A 85 -8.951 -14.400 25.129 1.00 12.00 H new ATOM 0 HD13 ILE A 85 -7.550 -15.304 25.753 1.00 12.00 H new ATOM 1323 N VAL A 86 -12.406 -15.364 29.042 1.00 24.11 N ATOM 1324 CA VAL A 86 -12.853 -15.041 30.392 1.00 44.54 C ATOM 1325 C VAL A 86 -14.094 -15.842 30.766 1.00 32.13 C ATOM 1326 O VAL A 86 -14.152 -16.453 31.834 1.00 51.21 O ATOM 1327 CB VAL A 86 -13.162 -13.539 30.535 1.00 10.54 C ATOM 1328 CG1 VAL A 86 -14.331 -13.322 31.484 1.00 21.45 C ATOM 1329 CG2 VAL A 86 -11.930 -12.785 31.013 1.00 12.41 C ATOM 0 H VAL A 86 -12.714 -14.705 28.327 1.00 24.11 H new ATOM 0 HA VAL A 86 -12.038 -15.303 31.067 1.00 44.54 H new ATOM 0 HB VAL A 86 -13.442 -13.149 29.557 1.00 10.54 H new ATOM 0 HG11 VAL A 86 -14.535 -12.255 31.572 1.00 21.45 H new ATOM 0 HG12 VAL A 86 -15.214 -13.829 31.095 1.00 21.45 H new ATOM 0 HG13 VAL A 86 -14.083 -13.727 32.465 1.00 21.45 H new ATOM 0 HG21 VAL A 86 -12.166 -11.725 31.109 1.00 12.41 H new ATOM 0 HG22 VAL A 86 -11.617 -13.176 31.981 1.00 12.41 H new ATOM 0 HG23 VAL A 86 -11.123 -12.913 30.292 1.00 12.41 H new ATOM 1339 N ILE A 87 -15.085 -15.836 29.881 1.00 0.10 N ATOM 1340 CA ILE A 87 -16.325 -16.564 30.118 1.00 13.13 C ATOM 1341 C ILE A 87 -16.105 -18.070 30.027 1.00 62.02 C ATOM 1342 O ILE A 87 -16.826 -18.854 30.645 1.00 55.44 O ATOM 1343 CB ILE A 87 -17.419 -16.155 29.114 1.00 12.44 C ATOM 1344 CG1 ILE A 87 -17.792 -14.683 29.305 1.00 34.13 C ATOM 1345 CG2 ILE A 87 -18.644 -17.042 29.275 1.00 72.53 C ATOM 1346 CD1 ILE A 87 -18.380 -14.380 30.666 1.00 24.20 C ATOM 0 H ILE A 87 -15.053 -15.335 28.993 1.00 0.10 H new ATOM 0 HA ILE A 87 -16.653 -16.307 31.125 1.00 13.13 H new ATOM 0 HB ILE A 87 -17.031 -16.284 28.104 1.00 12.44 H new ATOM 0 HG12 ILE A 87 -16.903 -14.069 29.157 1.00 34.13 H new ATOM 0 HG13 ILE A 87 -18.509 -14.396 28.536 1.00 34.13 H new ATOM 0 HG21 ILE A 87 -19.408 -16.741 28.559 1.00 72.53 H new ATOM 0 HG22 ILE A 87 -18.367 -18.081 29.095 1.00 72.53 H new ATOM 0 HG23 ILE A 87 -19.036 -16.941 30.287 1.00 72.53 H new ATOM 0 HD11 ILE A 87 -18.621 -13.319 30.730 1.00 24.20 H new ATOM 0 HD12 ILE A 87 -19.287 -14.967 30.809 1.00 24.20 H new ATOM 0 HD13 ILE A 87 -17.656 -14.636 31.440 1.00 24.20 H new ATOM 1358 N THR A 88 -15.101 -18.470 29.252 1.00 3.34 N ATOM 1359 CA THR A 88 -14.784 -19.882 29.080 1.00 3.21 C ATOM 1360 C THR A 88 -14.182 -20.469 30.351 1.00 24.23 C ATOM 1361 O THR A 88 -14.610 -21.522 30.825 1.00 54.24 O ATOM 1362 CB THR A 88 -13.802 -20.099 27.913 1.00 53.21 C ATOM 1363 OG1 THR A 88 -14.472 -19.889 26.665 1.00 44.25 O ATOM 1364 CG2 THR A 88 -13.218 -21.503 27.951 1.00 12.00 C ATOM 0 H THR A 88 -14.494 -17.835 28.734 1.00 3.34 H new ATOM 0 HA THR A 88 -15.721 -20.391 28.856 1.00 3.21 H new ATOM 0 HB THR A 88 -12.988 -19.382 28.014 1.00 53.21 H new ATOM 0 HG1 THR A 88 -14.463 -18.934 26.446 1.00 44.25 H new ATOM 0 HG21 THR A 88 -12.528 -21.633 27.117 1.00 12.00 H new ATOM 0 HG22 THR A 88 -12.685 -21.650 28.890 1.00 12.00 H new ATOM 0 HG23 THR A 88 -14.023 -22.234 27.873 1.00 12.00 H new ATOM 1372 N VAL A 89 -13.185 -19.782 30.901 1.00 33.21 N ATOM 1373 CA VAL A 89 -12.525 -20.235 32.120 1.00 71.34 C ATOM 1374 C VAL A 89 -13.463 -20.145 33.318 1.00 24.45 C ATOM 1375 O VAL A 89 -13.290 -20.855 34.310 1.00 73.35 O ATOM 1376 CB VAL A 89 -11.257 -19.411 32.411 1.00 61.14 C ATOM 1377 CG1 VAL A 89 -11.597 -18.181 33.238 1.00 34.22 C ATOM 1378 CG2 VAL A 89 -10.216 -20.267 33.116 1.00 20.21 C ATOM 0 H VAL A 89 -12.817 -18.910 30.521 1.00 33.21 H new ATOM 0 HA VAL A 89 -12.244 -21.276 31.960 1.00 71.34 H new ATOM 0 HB VAL A 89 -10.837 -19.076 31.463 1.00 61.14 H new ATOM 0 HG11 VAL A 89 -10.688 -17.611 33.434 1.00 34.22 H new ATOM 0 HG12 VAL A 89 -12.305 -17.559 32.690 1.00 34.22 H new ATOM 0 HG13 VAL A 89 -12.042 -18.490 34.184 1.00 34.22 H new ATOM 0 HG21 VAL A 89 -9.327 -19.669 33.314 1.00 20.21 H new ATOM 0 HG22 VAL A 89 -10.624 -20.634 34.058 1.00 20.21 H new ATOM 0 HG23 VAL A 89 -9.951 -21.113 32.482 1.00 20.21 H new ATOM 1388 N PHE A 90 -14.456 -19.268 33.221 1.00 30.13 N ATOM 1389 CA PHE A 90 -15.422 -19.085 34.298 1.00 1.43 C ATOM 1390 C PHE A 90 -16.299 -20.323 34.459 1.00 55.53 C ATOM 1391 O PHE A 90 -16.324 -20.947 35.520 1.00 53.35 O ATOM 1392 CB PHE A 90 -16.295 -17.858 34.025 1.00 33.31 C ATOM 1393 CG PHE A 90 -15.857 -16.632 34.773 1.00 51.41 C ATOM 1394 CD1 PHE A 90 -14.534 -16.223 34.745 1.00 44.24 C ATOM 1395 CD2 PHE A 90 -16.769 -15.888 35.504 1.00 2.45 C ATOM 1396 CE1 PHE A 90 -14.127 -15.094 35.431 1.00 30.23 C ATOM 1397 CE2 PHE A 90 -16.368 -14.758 36.193 1.00 72.03 C ATOM 1398 CZ PHE A 90 -15.046 -14.362 36.157 1.00 5.51 C ATOM 0 H PHE A 90 -14.613 -18.673 32.408 1.00 30.13 H new ATOM 0 HA PHE A 90 -14.870 -18.931 35.225 1.00 1.43 H new ATOM 0 HB2 PHE A 90 -16.284 -17.645 32.956 1.00 33.31 H new ATOM 0 HB3 PHE A 90 -17.326 -18.089 34.293 1.00 33.31 H new ATOM 0 HD1 PHE A 90 -13.811 -16.793 34.180 1.00 44.24 H new ATOM 0 HD2 PHE A 90 -17.804 -16.194 35.536 1.00 2.45 H new ATOM 0 HE1 PHE A 90 -13.093 -14.785 35.399 1.00 30.23 H new ATOM 0 HE2 PHE A 90 -17.088 -14.186 36.759 1.00 72.03 H new ATOM 0 HZ PHE A 90 -14.731 -13.481 36.696 1.00 5.51 H new ATOM 1408 N VAL A 91 -17.019 -20.672 33.397 1.00 14.22 N ATOM 1409 CA VAL A 91 -17.898 -21.835 33.419 1.00 55.23 C ATOM 1410 C VAL A 91 -17.145 -23.085 33.859 1.00 13.12 C ATOM 1411 O VAL A 91 -17.706 -23.961 34.518 1.00 35.42 O ATOM 1412 CB VAL A 91 -18.528 -22.088 32.036 1.00 64.41 C ATOM 1413 CG1 VAL A 91 -17.455 -22.116 30.958 1.00 62.21 C ATOM 1414 CG2 VAL A 91 -19.322 -23.386 32.042 1.00 12.43 C ATOM 0 H VAL A 91 -17.011 -20.166 32.511 1.00 14.22 H new ATOM 0 HA VAL A 91 -18.690 -21.620 34.137 1.00 55.23 H new ATOM 0 HB VAL A 91 -19.213 -21.270 31.813 1.00 64.41 H new ATOM 0 HG11 VAL A 91 -17.918 -22.296 29.988 1.00 62.21 H new ATOM 0 HG12 VAL A 91 -16.933 -21.159 30.939 1.00 62.21 H new ATOM 0 HG13 VAL A 91 -16.743 -22.913 31.173 1.00 62.21 H new ATOM 0 HG21 VAL A 91 -19.760 -23.549 31.057 1.00 12.43 H new ATOM 0 HG22 VAL A 91 -18.660 -24.216 32.287 1.00 12.43 H new ATOM 0 HG23 VAL A 91 -20.116 -23.324 32.786 1.00 12.43 H new ATOM 1424 N LEU A 92 -15.871 -23.161 33.492 1.00 70.21 N ATOM 1425 CA LEU A 92 -15.039 -24.305 33.850 1.00 42.33 C ATOM 1426 C LEU A 92 -14.536 -24.185 35.285 1.00 54.31 C ATOM 1427 O LEU A 92 -14.245 -25.187 35.937 1.00 51.44 O ATOM 1428 CB LEU A 92 -13.853 -24.418 32.890 1.00 41.40 C ATOM 1429 CG LEU A 92 -12.984 -25.667 33.040 1.00 12.15 C ATOM 1430 CD1 LEU A 92 -12.319 -26.017 31.719 1.00 44.44 C ATOM 1431 CD2 LEU A 92 -11.940 -25.462 34.128 1.00 24.20 C ATOM 0 H LEU A 92 -15.391 -22.445 32.947 1.00 70.21 H new ATOM 0 HA LEU A 92 -15.649 -25.205 33.772 1.00 42.33 H new ATOM 0 HB2 LEU A 92 -14.233 -24.385 31.869 1.00 41.40 H new ATOM 0 HB3 LEU A 92 -13.219 -23.541 33.022 1.00 41.40 H new ATOM 0 HG LEU A 92 -13.625 -26.499 33.331 1.00 12.15 H new ATOM 0 HD11 LEU A 92 -11.705 -26.909 31.846 1.00 44.44 H new ATOM 0 HD12 LEU A 92 -13.084 -26.207 30.966 1.00 44.44 H new ATOM 0 HD13 LEU A 92 -11.691 -25.187 31.397 1.00 44.44 H new ATOM 0 HD21 LEU A 92 -11.330 -26.361 34.221 1.00 24.20 H new ATOM 0 HD22 LEU A 92 -11.303 -24.617 33.866 1.00 24.20 H new ATOM 0 HD23 LEU A 92 -12.438 -25.261 35.077 1.00 24.20 H new ATOM 1443 N ASN A 93 -14.440 -22.952 35.771 1.00 3.34 N ATOM 1444 CA ASN A 93 -13.974 -22.701 37.131 1.00 53.34 C ATOM 1445 C ASN A 93 -15.003 -23.172 38.154 1.00 54.23 C ATOM 1446 O ASN A 93 -14.665 -23.852 39.122 1.00 33.24 O ATOM 1447 CB ASN A 93 -13.689 -21.210 37.327 1.00 23.41 C ATOM 1448 CG ASN A 93 -13.435 -20.857 38.780 1.00 40.02 C ATOM 1449 OD1 ASN A 93 -14.366 -20.767 39.580 1.00 11.30 O ATOM 1450 ND2 ASN A 93 -12.169 -20.655 39.127 1.00 52.31 N ATOM 0 H ASN A 93 -14.678 -22.111 35.245 1.00 3.34 H new ATOM 0 HA ASN A 93 -13.053 -23.264 37.283 1.00 53.34 H new ATOM 0 HB2 ASN A 93 -12.822 -20.927 36.730 1.00 23.41 H new ATOM 0 HB3 ASN A 93 -14.534 -20.629 36.957 1.00 23.41 H new ATOM 0 HD21 ASN A 93 -11.936 -20.414 40.091 1.00 52.31 H new ATOM 0 HD22 ASN A 93 -11.429 -20.740 38.430 1.00 52.31 H new ATOM 1457 N VAL A 94 -16.262 -22.806 37.931 1.00 3.41 N ATOM 1458 CA VAL A 94 -17.341 -23.192 38.832 1.00 51.21 C ATOM 1459 C VAL A 94 -17.153 -22.573 40.212 1.00 22.04 C ATOM 1460 O VAL A 94 -16.038 -22.515 40.732 1.00 63.01 O ATOM 1461 CB VAL A 94 -17.432 -24.723 38.976 1.00 45.34 C ATOM 1462 CG1 VAL A 94 -17.954 -25.100 40.354 1.00 43.15 C ATOM 1463 CG2 VAL A 94 -18.313 -25.309 37.883 1.00 13.24 C ATOM 0 H VAL A 94 -16.559 -22.243 37.134 1.00 3.41 H new ATOM 0 HA VAL A 94 -18.267 -22.820 38.394 1.00 51.21 H new ATOM 0 HB VAL A 94 -16.431 -25.141 38.867 1.00 45.34 H new ATOM 0 HG11 VAL A 94 -18.011 -26.185 40.437 1.00 43.15 H new ATOM 0 HG12 VAL A 94 -17.279 -24.713 41.117 1.00 43.15 H new ATOM 0 HG13 VAL A 94 -18.946 -24.672 40.497 1.00 43.15 H new ATOM 0 HG21 VAL A 94 -18.366 -26.391 38.000 1.00 13.24 H new ATOM 0 HG22 VAL A 94 -19.315 -24.886 37.958 1.00 13.24 H new ATOM 0 HG23 VAL A 94 -17.890 -25.070 36.907 1.00 13.24 H new ATOM 1644 N GLY A 108 -23.621 -32.389 24.812 1.00 21.42 N ATOM 1645 CA GLY A 108 -23.745 -31.610 23.595 1.00 51.25 C ATOM 1646 C GLY A 108 -23.040 -30.271 23.689 1.00 64.45 C ATOM 1647 O GLY A 108 -23.204 -29.413 22.821 1.00 71.53 O ATOM 0 HA2 GLY A 108 -23.332 -32.177 22.761 1.00 51.25 H new ATOM 0 HA3 GLY A 108 -24.801 -31.447 23.378 1.00 51.25 H new ATOM 1651 N ILE A 109 -22.254 -30.092 24.745 1.00 44.34 N ATOM 1652 CA ILE A 109 -21.522 -28.848 24.948 1.00 5.25 C ATOM 1653 C ILE A 109 -20.313 -28.763 24.022 1.00 54.21 C ATOM 1654 O ILE A 109 -19.937 -27.680 23.573 1.00 13.22 O ATOM 1655 CB ILE A 109 -21.047 -28.707 26.407 1.00 41.52 C ATOM 1656 CG1 ILE A 109 -22.198 -28.999 27.371 1.00 11.14 C ATOM 1657 CG2 ILE A 109 -20.487 -27.313 26.649 1.00 41.22 C ATOM 1658 CD1 ILE A 109 -21.810 -28.882 28.829 1.00 41.53 C ATOM 0 H ILE A 109 -22.108 -30.792 25.473 1.00 44.34 H new ATOM 0 HA ILE A 109 -22.211 -28.035 24.717 1.00 5.25 H new ATOM 0 HB ILE A 109 -20.254 -29.433 26.587 1.00 41.52 H new ATOM 0 HG12 ILE A 109 -23.017 -28.310 27.165 1.00 11.14 H new ATOM 0 HG13 ILE A 109 -22.573 -30.005 27.183 1.00 11.14 H new ATOM 0 HG21 ILE A 109 -20.156 -27.229 27.684 1.00 41.22 H new ATOM 0 HG22 ILE A 109 -19.642 -27.139 25.982 1.00 41.22 H new ATOM 0 HG23 ILE A 109 -21.261 -26.571 26.454 1.00 41.22 H new ATOM 0 HD11 ILE A 109 -22.675 -29.102 29.455 1.00 41.53 H new ATOM 0 HD12 ILE A 109 -21.012 -29.590 29.051 1.00 41.53 H new ATOM 0 HD13 ILE A 109 -21.463 -27.869 29.033 1.00 41.53 H new ATOM 1670 N ASP A 110 -19.711 -29.912 23.738 1.00 25.02 N ATOM 1671 CA ASP A 110 -18.546 -29.969 22.862 1.00 11.31 C ATOM 1672 C ASP A 110 -18.936 -29.662 21.420 1.00 41.15 C ATOM 1673 O ASP A 110 -18.305 -28.838 20.757 1.00 24.24 O ATOM 1674 CB ASP A 110 -17.887 -31.346 22.943 1.00 24.34 C ATOM 1675 CG ASP A 110 -16.618 -31.333 23.773 1.00 43.21 C ATOM 1676 OD1 ASP A 110 -16.495 -30.457 24.655 1.00 24.54 O ATOM 1677 OD2 ASP A 110 -15.748 -32.198 23.540 1.00 11.02 O ATOM 0 H ASP A 110 -20.010 -30.817 24.101 1.00 25.02 H new ATOM 0 HA ASP A 110 -17.834 -29.214 23.196 1.00 11.31 H new ATOM 0 HB2 ASP A 110 -18.592 -32.058 23.373 1.00 24.34 H new ATOM 0 HB3 ASP A 110 -17.656 -31.695 21.936 1.00 24.34 H new ATOM 1682 N ARG A 111 -19.979 -30.331 20.939 1.00 41.22 N ATOM 1683 CA ARG A 111 -20.451 -30.131 19.574 1.00 33.20 C ATOM 1684 C ARG A 111 -20.860 -28.679 19.347 1.00 2.30 C ATOM 1685 O ARG A 111 -20.528 -28.084 18.321 1.00 13.42 O ATOM 1686 CB ARG A 111 -21.634 -31.057 19.281 1.00 44.55 C ATOM 1687 CG ARG A 111 -22.773 -30.923 20.277 1.00 33.43 C ATOM 1688 CD ARG A 111 -23.825 -32.002 20.068 1.00 11.43 C ATOM 1689 NE ARG A 111 -23.972 -32.357 18.660 1.00 64.55 N ATOM 1690 CZ ARG A 111 -24.650 -31.625 17.783 1.00 33.23 C ATOM 1691 NH1 ARG A 111 -25.241 -30.503 18.169 1.00 51.30 N ATOM 1692 NH2 ARG A 111 -24.738 -32.015 16.518 1.00 34.20 N ATOM 0 H ARG A 111 -20.513 -31.016 21.474 1.00 41.22 H new ATOM 0 HA ARG A 111 -19.633 -30.370 18.894 1.00 33.20 H new ATOM 0 HB2 ARG A 111 -22.011 -30.846 18.280 1.00 44.55 H new ATOM 0 HB3 ARG A 111 -21.284 -32.089 19.278 1.00 44.55 H new ATOM 0 HG2 ARG A 111 -22.380 -30.988 21.292 1.00 33.43 H new ATOM 0 HG3 ARG A 111 -23.233 -29.940 20.175 1.00 33.43 H new ATOM 0 HD2 ARG A 111 -23.552 -32.890 20.639 1.00 11.43 H new ATOM 0 HD3 ARG A 111 -24.783 -31.655 20.456 1.00 11.43 H new ATOM 0 HE ARG A 111 -23.529 -33.215 18.331 1.00 64.55 H new ATOM 0 HH11 ARG A 111 -25.176 -30.200 19.141 1.00 51.30 H new ATOM 0 HH12 ARG A 111 -25.761 -29.942 17.494 1.00 51.30 H new ATOM 0 HH21 ARG A 111 -24.285 -32.878 16.218 1.00 34.20 H new ATOM 0 HH22 ARG A 111 -25.259 -31.452 15.846 1.00 34.20 H new ATOM 1706 N ILE A 112 -21.581 -28.115 20.310 1.00 11.00 N ATOM 1707 CA ILE A 112 -22.034 -26.733 20.215 1.00 0.20 C ATOM 1708 C ILE A 112 -20.875 -25.760 20.403 1.00 64.32 C ATOM 1709 O ILE A 112 -20.856 -24.679 19.815 1.00 42.23 O ATOM 1710 CB ILE A 112 -23.123 -26.424 21.260 1.00 64.03 C ATOM 1711 CG1 ILE A 112 -24.383 -27.243 20.972 1.00 2.24 C ATOM 1712 CG2 ILE A 112 -23.441 -24.936 21.269 1.00 75.54 C ATOM 1713 CD1 ILE A 112 -25.001 -26.947 19.624 1.00 61.43 C ATOM 0 H ILE A 112 -21.864 -28.594 21.165 1.00 11.00 H new ATOM 0 HA ILE A 112 -22.453 -26.607 19.217 1.00 0.20 H new ATOM 0 HB ILE A 112 -22.750 -26.701 22.246 1.00 64.03 H new ATOM 0 HG12 ILE A 112 -24.137 -28.304 21.025 1.00 2.24 H new ATOM 0 HG13 ILE A 112 -25.120 -27.047 21.751 1.00 2.24 H new ATOM 0 HG21 ILE A 112 -24.212 -24.733 22.012 1.00 75.54 H new ATOM 0 HG22 ILE A 112 -22.541 -24.373 21.517 1.00 75.54 H new ATOM 0 HG23 ILE A 112 -23.798 -24.634 20.284 1.00 75.54 H new ATOM 0 HD11 ILE A 112 -25.890 -27.563 19.488 1.00 61.43 H new ATOM 0 HD12 ILE A 112 -25.279 -25.894 19.574 1.00 61.43 H new ATOM 0 HD13 ILE A 112 -24.281 -27.170 18.837 1.00 61.43 H new ATOM 1725 N PHE A 113 -19.907 -26.153 21.225 1.00 33.00 N ATOM 1726 CA PHE A 113 -18.743 -25.316 21.490 1.00 24.51 C ATOM 1727 C PHE A 113 -18.043 -24.931 20.190 1.00 1.31 C ATOM 1728 O PHE A 113 -17.918 -23.749 19.866 1.00 72.03 O ATOM 1729 CB PHE A 113 -17.764 -26.046 22.412 1.00 4.14 C ATOM 1730 CG PHE A 113 -16.416 -25.389 22.496 1.00 43.40 C ATOM 1731 CD1 PHE A 113 -15.407 -25.731 21.610 1.00 21.53 C ATOM 1732 CD2 PHE A 113 -16.157 -24.428 23.461 1.00 73.14 C ATOM 1733 CE1 PHE A 113 -14.165 -25.128 21.684 1.00 34.21 C ATOM 1734 CE2 PHE A 113 -14.918 -23.821 23.539 1.00 31.20 C ATOM 1735 CZ PHE A 113 -13.921 -24.173 22.651 1.00 45.44 C ATOM 0 H PHE A 113 -19.906 -27.046 21.719 1.00 33.00 H new ATOM 0 HA PHE A 113 -19.085 -24.405 21.982 1.00 24.51 H new ATOM 0 HB2 PHE A 113 -18.194 -26.104 23.412 1.00 4.14 H new ATOM 0 HB3 PHE A 113 -17.639 -27.070 22.059 1.00 4.14 H new ATOM 0 HD1 PHE A 113 -15.593 -26.478 20.852 1.00 21.53 H new ATOM 0 HD2 PHE A 113 -16.932 -24.151 24.160 1.00 73.14 H new ATOM 0 HE1 PHE A 113 -13.387 -25.403 20.987 1.00 34.21 H new ATOM 0 HE2 PHE A 113 -14.730 -23.072 24.294 1.00 31.20 H new ATOM 0 HZ PHE A 113 -12.951 -23.702 22.713 1.00 45.44 H new ATOM 1745 N LEU A 114 -17.587 -25.935 19.450 1.00 74.40 N ATOM 1746 CA LEU A 114 -16.899 -25.703 18.185 1.00 51.01 C ATOM 1747 C LEU A 114 -17.841 -25.080 17.159 1.00 4.12 C ATOM 1748 O LEU A 114 -17.401 -24.400 16.232 1.00 14.51 O ATOM 1749 CB LEU A 114 -16.332 -27.016 17.642 1.00 45.52 C ATOM 1750 CG LEU A 114 -17.287 -27.863 16.801 1.00 30.22 C ATOM 1751 CD1 LEU A 114 -17.125 -27.543 15.323 1.00 14.24 C ATOM 1752 CD2 LEU A 114 -17.051 -29.345 17.057 1.00 41.44 C ATOM 0 H LEU A 114 -17.681 -26.918 19.704 1.00 74.40 H new ATOM 0 HA LEU A 114 -16.079 -25.008 18.368 1.00 51.01 H new ATOM 0 HB2 LEU A 114 -15.454 -26.787 17.038 1.00 45.52 H new ATOM 0 HB3 LEU A 114 -15.991 -27.617 18.485 1.00 45.52 H new ATOM 0 HG LEU A 114 -18.309 -27.622 17.093 1.00 30.22 H new ATOM 0 HD11 LEU A 114 -17.813 -28.156 14.741 1.00 14.24 H new ATOM 0 HD12 LEU A 114 -17.345 -26.489 15.153 1.00 14.24 H new ATOM 0 HD13 LEU A 114 -16.101 -27.755 15.015 1.00 14.24 H new ATOM 0 HD21 LEU A 114 -17.739 -29.933 16.450 1.00 41.44 H new ATOM 0 HD22 LEU A 114 -16.025 -29.601 16.793 1.00 41.44 H new ATOM 0 HD23 LEU A 114 -17.219 -29.563 18.112 1.00 41.44 H new ATOM 1764 N TRP A 115 -19.136 -25.315 17.333 1.00 21.35 N ATOM 1765 CA TRP A 115 -20.140 -24.775 16.424 1.00 42.11 C ATOM 1766 C TRP A 115 -20.226 -23.258 16.547 1.00 3.42 C ATOM 1767 O TRP A 115 -20.602 -22.569 15.599 1.00 61.31 O ATOM 1768 CB TRP A 115 -21.506 -25.400 16.710 1.00 71.44 C ATOM 1769 CG TRP A 115 -21.992 -26.294 15.609 1.00 53.11 C ATOM 1770 CD1 TRP A 115 -22.319 -27.616 15.711 1.00 55.13 C ATOM 1771 CD2 TRP A 115 -22.204 -25.930 14.240 1.00 21.34 C ATOM 1772 NE1 TRP A 115 -22.722 -28.096 14.488 1.00 62.13 N ATOM 1773 CE2 TRP A 115 -22.661 -27.082 13.569 1.00 3.54 C ATOM 1774 CE3 TRP A 115 -22.054 -24.744 13.517 1.00 31.10 C ATOM 1775 CZ2 TRP A 115 -22.967 -27.079 12.211 1.00 4.21 C ATOM 1776 CZ3 TRP A 115 -22.358 -24.743 12.169 1.00 62.21 C ATOM 1777 CH2 TRP A 115 -22.811 -25.904 11.527 1.00 4.24 C ATOM 0 H TRP A 115 -19.516 -25.876 18.095 1.00 21.35 H new ATOM 0 HA TRP A 115 -19.841 -25.022 15.405 1.00 42.11 H new ATOM 0 HB2 TRP A 115 -21.449 -25.973 17.635 1.00 71.44 H new ATOM 0 HB3 TRP A 115 -22.235 -24.606 16.872 1.00 71.44 H new ATOM 0 HD1 TRP A 115 -22.268 -28.198 16.619 1.00 55.13 H new ATOM 0 HE1 TRP A 115 -23.019 -29.053 14.296 1.00 62.13 H new ATOM 0 HE3 TRP A 115 -21.707 -23.844 14.003 1.00 31.10 H new ATOM 0 HZ2 TRP A 115 -23.315 -27.973 11.715 1.00 4.21 H new ATOM 0 HZ3 TRP A 115 -22.245 -23.832 11.600 1.00 62.21 H new ATOM 0 HH2 TRP A 115 -23.041 -25.870 10.472 1.00 4.24 H new ATOM 1788 N MET A 116 -19.875 -22.743 17.721 1.00 44.20 N ATOM 1789 CA MET A 116 -19.911 -21.306 17.966 1.00 12.34 C ATOM 1790 C MET A 116 -18.702 -20.617 17.342 1.00 52.41 C ATOM 1791 O MET A 116 -18.841 -19.619 16.634 1.00 41.11 O ATOM 1792 CB MET A 116 -19.953 -21.024 19.470 1.00 73.34 C ATOM 1793 CG MET A 116 -21.036 -20.037 19.873 1.00 51.41 C ATOM 1794 SD MET A 116 -20.363 -18.500 20.534 1.00 52.10 S ATOM 1795 CE MET A 116 -19.169 -18.080 19.266 1.00 33.24 C ATOM 0 H MET A 116 -19.563 -23.299 18.517 1.00 44.20 H new ATOM 0 HA MET A 116 -20.813 -20.907 17.503 1.00 12.34 H new ATOM 0 HB2 MET A 116 -20.111 -21.962 20.003 1.00 73.34 H new ATOM 0 HB3 MET A 116 -18.984 -20.637 19.786 1.00 73.34 H new ATOM 0 HG2 MET A 116 -21.659 -19.814 19.007 1.00 51.41 H new ATOM 0 HG3 MET A 116 -21.682 -20.497 20.620 1.00 51.41 H new ATOM 0 HE1 MET A 116 -18.850 -17.046 19.395 1.00 33.24 H new ATOM 0 HE2 MET A 116 -18.305 -18.739 19.347 1.00 33.24 H new ATOM 0 HE3 MET A 116 -19.625 -18.199 18.283 1.00 33.24 H new ATOM 1805 N PHE A 117 -17.517 -21.155 17.609 1.00 43.42 N ATOM 1806 CA PHE A 117 -16.283 -20.590 17.074 1.00 71.22 C ATOM 1807 C PHE A 117 -16.379 -20.409 15.562 1.00 40.42 C ATOM 1808 O PHE A 117 -15.951 -19.389 15.020 1.00 15.43 O ATOM 1809 CB PHE A 117 -15.095 -21.491 17.416 1.00 24.03 C ATOM 1810 CG PHE A 117 -14.580 -21.299 18.814 1.00 34.34 C ATOM 1811 CD1 PHE A 117 -15.351 -21.665 19.906 1.00 1.03 C ATOM 1812 CD2 PHE A 117 -13.327 -20.753 19.037 1.00 43.13 C ATOM 1813 CE1 PHE A 117 -14.881 -21.490 21.194 1.00 24.33 C ATOM 1814 CE2 PHE A 117 -12.851 -20.576 20.322 1.00 20.23 C ATOM 1815 CZ PHE A 117 -13.629 -20.944 21.402 1.00 33.24 C ATOM 0 H PHE A 117 -17.385 -21.981 18.192 1.00 43.42 H new ATOM 0 HA PHE A 117 -16.132 -19.612 17.531 1.00 71.22 H new ATOM 0 HB2 PHE A 117 -15.390 -22.532 17.286 1.00 24.03 H new ATOM 0 HB3 PHE A 117 -14.287 -21.297 16.710 1.00 24.03 H new ATOM 0 HD1 PHE A 117 -16.330 -22.092 19.749 1.00 1.03 H new ATOM 0 HD2 PHE A 117 -12.715 -20.462 18.196 1.00 43.13 H new ATOM 0 HE1 PHE A 117 -15.491 -21.780 22.037 1.00 24.33 H new ATOM 0 HE2 PHE A 117 -11.871 -20.150 20.482 1.00 20.23 H new ATOM 0 HZ PHE A 117 -13.259 -20.805 22.407 1.00 33.24 H new ATOM 1825 N ILE A 118 -16.942 -21.405 14.887 1.00 52.01 N ATOM 1826 CA ILE A 118 -17.095 -21.355 13.438 1.00 22.41 C ATOM 1827 C ILE A 118 -18.280 -20.482 13.040 1.00 62.23 C ATOM 1828 O ILE A 118 -18.348 -19.987 11.914 1.00 31.04 O ATOM 1829 CB ILE A 118 -17.286 -22.763 12.844 1.00 71.23 C ATOM 1830 CG1 ILE A 118 -18.577 -23.392 13.372 1.00 61.51 C ATOM 1831 CG2 ILE A 118 -16.089 -23.643 13.171 1.00 70.43 C ATOM 1832 CD1 ILE A 118 -18.832 -24.786 12.840 1.00 4.42 C ATOM 0 H ILE A 118 -17.300 -22.256 15.320 1.00 52.01 H new ATOM 0 HA ILE A 118 -16.178 -20.922 13.038 1.00 22.41 H new ATOM 0 HB ILE A 118 -17.363 -22.677 11.760 1.00 71.23 H new ATOM 0 HG12 ILE A 118 -18.535 -23.429 14.461 1.00 61.51 H new ATOM 0 HG13 ILE A 118 -19.418 -22.751 13.108 1.00 61.51 H new ATOM 0 HG21 ILE A 118 -16.239 -24.635 12.744 1.00 70.43 H new ATOM 0 HG22 ILE A 118 -15.186 -23.200 12.751 1.00 70.43 H new ATOM 0 HG23 ILE A 118 -15.983 -23.726 14.253 1.00 70.43 H new ATOM 0 HD11 ILE A 118 -19.764 -25.170 13.256 1.00 4.42 H new ATOM 0 HD12 ILE A 118 -18.907 -24.753 11.753 1.00 4.42 H new ATOM 0 HD13 ILE A 118 -18.009 -25.441 13.127 1.00 4.42 H new ATOM 1844 N ILE A 119 -19.210 -20.296 13.970 1.00 21.42 N ATOM 1845 CA ILE A 119 -20.391 -19.480 13.717 1.00 62.31 C ATOM 1846 C ILE A 119 -20.027 -18.003 13.616 1.00 43.02 C ATOM 1847 O ILE A 119 -20.654 -17.247 12.874 1.00 70.24 O ATOM 1848 CB ILE A 119 -21.448 -19.662 14.822 1.00 74.45 C ATOM 1849 CG1 ILE A 119 -22.713 -20.304 14.246 1.00 22.04 C ATOM 1850 CG2 ILE A 119 -21.774 -18.325 15.469 1.00 51.44 C ATOM 1851 CD1 ILE A 119 -23.333 -21.340 15.158 1.00 63.13 C ATOM 0 H ILE A 119 -19.169 -20.699 14.906 1.00 21.42 H new ATOM 0 HA ILE A 119 -20.808 -19.815 12.767 1.00 62.31 H new ATOM 0 HB ILE A 119 -21.042 -20.324 15.587 1.00 74.45 H new ATOM 0 HG12 ILE A 119 -23.447 -19.524 14.044 1.00 22.04 H new ATOM 0 HG13 ILE A 119 -22.472 -20.770 13.291 1.00 22.04 H new ATOM 0 HG21 ILE A 119 -22.523 -18.471 16.248 1.00 51.44 H new ATOM 0 HG22 ILE A 119 -20.870 -17.904 15.909 1.00 51.44 H new ATOM 0 HG23 ILE A 119 -22.163 -17.641 14.715 1.00 51.44 H new ATOM 0 HD11 ILE A 119 -24.225 -21.753 14.686 1.00 63.13 H new ATOM 0 HD12 ILE A 119 -22.616 -22.140 15.341 1.00 63.13 H new ATOM 0 HD13 ILE A 119 -23.606 -20.874 16.105 1.00 63.13 H new ATOM 1863 N VAL A 120 -19.007 -17.598 14.366 1.00 11.32 N ATOM 1864 CA VAL A 120 -18.557 -16.211 14.359 1.00 24.03 C ATOM 1865 C VAL A 120 -17.575 -15.958 13.221 1.00 41.23 C ATOM 1866 O VAL A 120 -17.495 -14.848 12.692 1.00 25.31 O ATOM 1867 CB VAL A 120 -17.887 -15.832 15.694 1.00 51.24 C ATOM 1868 CG1 VAL A 120 -18.905 -15.843 16.824 1.00 23.41 C ATOM 1869 CG2 VAL A 120 -16.731 -16.774 15.996 1.00 53.41 C ATOM 0 H VAL A 120 -18.477 -18.210 14.986 1.00 11.32 H new ATOM 0 HA VAL A 120 -19.442 -15.591 14.216 1.00 24.03 H new ATOM 0 HB VAL A 120 -17.488 -14.821 15.607 1.00 51.24 H new ATOM 0 HG11 VAL A 120 -18.414 -15.573 17.759 1.00 23.41 H new ATOM 0 HG12 VAL A 120 -19.695 -15.124 16.609 1.00 23.41 H new ATOM 0 HG13 VAL A 120 -19.336 -16.840 16.915 1.00 23.41 H new ATOM 0 HG21 VAL A 120 -16.269 -16.492 16.942 1.00 53.41 H new ATOM 0 HG22 VAL A 120 -17.103 -17.796 16.064 1.00 53.41 H new ATOM 0 HG23 VAL A 120 -15.991 -16.710 15.198 1.00 53.41 H new ATOM 1879 N CYS A 121 -16.831 -16.993 12.848 1.00 43.24 N ATOM 1880 CA CYS A 121 -15.853 -16.883 11.771 1.00 51.13 C ATOM 1881 C CYS A 121 -16.537 -16.563 10.446 1.00 74.34 C ATOM 1882 O CYS A 121 -16.157 -15.621 9.750 1.00 52.15 O ATOM 1883 CB CYS A 121 -15.053 -18.180 11.646 1.00 72.44 C ATOM 1884 SG CYS A 121 -13.814 -18.412 12.942 1.00 50.51 S ATOM 0 H CYS A 121 -16.886 -17.918 13.275 1.00 43.24 H new ATOM 0 HA CYS A 121 -15.172 -16.067 12.014 1.00 51.13 H new ATOM 0 HB2 CYS A 121 -15.744 -19.023 11.664 1.00 72.44 H new ATOM 0 HB3 CYS A 121 -14.556 -18.195 10.676 1.00 72.44 H new ATOM 0 HG CYS A 121 -14.390 -18.860 14.018 1.00 50.51 H new ATOM 1890 N LEU A 122 -17.547 -17.355 10.102 1.00 54.44 N ATOM 1891 CA LEU A 122 -18.285 -17.157 8.858 1.00 23.54 C ATOM 1892 C LEU A 122 -19.170 -15.918 8.941 1.00 42.11 C ATOM 1893 O LEU A 122 -19.102 -15.035 8.084 1.00 30.34 O ATOM 1894 CB LEU A 122 -19.139 -18.388 8.548 1.00 23.12 C ATOM 1895 CG LEU A 122 -18.767 -19.161 7.283 1.00 63.54 C ATOM 1896 CD1 LEU A 122 -18.808 -18.248 6.067 1.00 25.04 C ATOM 1897 CD2 LEU A 122 -17.391 -19.795 7.430 1.00 60.12 C ATOM 0 H LEU A 122 -17.874 -18.140 10.666 1.00 54.44 H new ATOM 0 HA LEU A 122 -17.563 -17.011 8.055 1.00 23.54 H new ATOM 0 HB2 LEU A 122 -19.080 -19.069 9.397 1.00 23.12 H new ATOM 0 HB3 LEU A 122 -20.179 -18.072 8.464 1.00 23.12 H new ATOM 0 HG LEU A 122 -19.498 -19.956 7.139 1.00 63.54 H new ATOM 0 HD11 LEU A 122 -18.540 -18.816 5.176 1.00 25.04 H new ATOM 0 HD12 LEU A 122 -19.813 -17.842 5.950 1.00 25.04 H new ATOM 0 HD13 LEU A 122 -18.100 -17.430 6.202 1.00 25.04 H new ATOM 0 HD21 LEU A 122 -17.143 -20.341 6.520 1.00 60.12 H new ATOM 0 HD22 LEU A 122 -16.648 -19.016 7.600 1.00 60.12 H new ATOM 0 HD23 LEU A 122 -17.396 -20.482 8.276 1.00 60.12 H new ATOM 1909 N LEU A 123 -19.998 -15.857 9.978 1.00 40.23 N ATOM 1910 CA LEU A 123 -20.896 -14.724 10.174 1.00 4.32 C ATOM 1911 C LEU A 123 -20.126 -13.407 10.138 1.00 75.03 C ATOM 1912 O LEU A 123 -20.421 -12.526 9.331 1.00 72.41 O ATOM 1913 CB LEU A 123 -21.635 -14.859 11.506 1.00 12.24 C ATOM 1914 CG LEU A 123 -22.551 -13.695 11.886 1.00 35.14 C ATOM 1915 CD1 LEU A 123 -21.776 -12.631 12.647 1.00 24.10 C ATOM 1916 CD2 LEU A 123 -23.200 -13.100 10.645 1.00 11.22 C ATOM 0 H LEU A 123 -20.066 -16.578 10.696 1.00 40.23 H new ATOM 0 HA LEU A 123 -21.622 -14.722 9.361 1.00 4.32 H new ATOM 0 HB2 LEU A 123 -22.232 -15.770 11.477 1.00 12.24 H new ATOM 0 HB3 LEU A 123 -20.896 -14.987 12.297 1.00 12.24 H new ATOM 0 HG LEU A 123 -23.338 -14.075 12.537 1.00 35.14 H new ATOM 0 HD11 LEU A 123 -22.445 -11.811 12.909 1.00 24.10 H new ATOM 0 HD12 LEU A 123 -21.360 -13.064 13.557 1.00 24.10 H new ATOM 0 HD13 LEU A 123 -20.967 -12.254 12.022 1.00 24.10 H new ATOM 0 HD21 LEU A 123 -23.848 -12.273 10.934 1.00 11.22 H new ATOM 0 HD22 LEU A 123 -22.426 -12.735 9.969 1.00 11.22 H new ATOM 0 HD23 LEU A 123 -23.791 -13.865 10.141 1.00 11.22 H new ATOM 1928 N GLY A 124 -19.137 -13.281 11.017 1.00 42.12 N ATOM 1929 CA GLY A 124 -18.339 -12.070 11.067 1.00 50.31 C ATOM 1930 C GLY A 124 -17.774 -11.691 9.712 1.00 31.02 C ATOM 1931 O GLY A 124 -17.838 -10.530 9.306 1.00 74.21 O ATOM 0 H GLY A 124 -18.874 -13.996 11.695 1.00 42.12 H new ATOM 0 HA2 GLY A 124 -18.951 -11.251 11.444 1.00 50.31 H new ATOM 0 HA3 GLY A 124 -17.520 -12.207 11.773 1.00 50.31 H new ATOM 1935 N THR A 125 -17.217 -12.673 9.010 1.00 44.53 N ATOM 1936 CA THR A 125 -16.635 -12.436 7.694 1.00 33.23 C ATOM 1937 C THR A 125 -17.621 -11.721 6.778 1.00 75.22 C ATOM 1938 O THR A 125 -17.325 -10.653 6.242 1.00 24.13 O ATOM 1939 CB THR A 125 -16.197 -13.754 7.029 1.00 64.40 C ATOM 1940 OG1 THR A 125 -15.100 -14.326 7.751 1.00 62.15 O ATOM 1941 CG2 THR A 125 -15.791 -13.521 5.581 1.00 34.23 C ATOM 0 H THR A 125 -17.157 -13.639 9.330 1.00 44.53 H new ATOM 0 HA THR A 125 -15.759 -11.805 7.844 1.00 33.23 H new ATOM 0 HB THR A 125 -17.042 -14.442 7.047 1.00 64.40 H new ATOM 0 HG1 THR A 125 -15.443 -14.905 8.463 1.00 62.15 H new ATOM 0 HG21 THR A 125 -15.486 -14.466 5.132 1.00 34.23 H new ATOM 0 HG22 THR A 125 -16.636 -13.113 5.027 1.00 34.23 H new ATOM 0 HG23 THR A 125 -14.960 -12.817 5.545 1.00 34.23 H new ATOM 1949 N VAL A 126 -18.797 -12.316 6.601 1.00 21.45 N ATOM 1950 CA VAL A 126 -19.828 -11.735 5.751 1.00 53.14 C ATOM 1951 C VAL A 126 -20.264 -10.369 6.270 1.00 64.20 C ATOM 1952 O VAL A 126 -20.355 -9.405 5.511 1.00 23.13 O ATOM 1953 CB VAL A 126 -21.061 -12.653 5.656 1.00 14.12 C ATOM 1954 CG1 VAL A 126 -22.290 -11.856 5.246 1.00 34.12 C ATOM 1955 CG2 VAL A 126 -20.804 -13.791 4.681 1.00 70.45 C ATOM 0 H VAL A 126 -19.059 -13.201 7.036 1.00 21.45 H new ATOM 0 HA VAL A 126 -19.392 -11.621 4.759 1.00 53.14 H new ATOM 0 HB VAL A 126 -21.248 -13.083 6.640 1.00 14.12 H new ATOM 0 HG11 VAL A 126 -23.151 -12.521 5.184 1.00 34.12 H new ATOM 0 HG12 VAL A 126 -22.484 -11.080 5.986 1.00 34.12 H new ATOM 0 HG13 VAL A 126 -22.117 -11.395 4.274 1.00 34.12 H new ATOM 0 HG21 VAL A 126 -21.686 -14.430 4.627 1.00 70.45 H new ATOM 0 HG22 VAL A 126 -20.590 -13.383 3.693 1.00 70.45 H new ATOM 0 HG23 VAL A 126 -19.952 -14.378 5.023 1.00 70.45 H new ATOM 1965 N GLY A 127 -20.531 -10.294 7.570 1.00 34.33 N ATOM 1966 CA GLY A 127 -20.954 -9.042 8.170 1.00 63.02 C ATOM 1967 C GLY A 127 -19.912 -7.950 8.026 1.00 73.04 C ATOM 1968 O GLY A 127 -20.233 -6.763 8.098 1.00 5.22 O ATOM 0 H GLY A 127 -20.462 -11.078 8.219 1.00 34.33 H new ATOM 0 HA2 GLY A 127 -21.885 -8.716 7.705 1.00 63.02 H new ATOM 0 HA3 GLY A 127 -21.165 -9.202 9.227 1.00 63.02 H new ATOM 1972 N LEU A 128 -18.662 -8.350 7.823 1.00 70.34 N ATOM 1973 CA LEU A 128 -17.569 -7.397 7.670 1.00 43.34 C ATOM 1974 C LEU A 128 -17.546 -6.816 6.259 1.00 20.03 C ATOM 1975 O LEU A 128 -17.376 -5.611 6.076 1.00 43.54 O ATOM 1976 CB LEU A 128 -16.231 -8.071 7.977 1.00 23.13 C ATOM 1977 CG LEU A 128 -14.988 -7.189 7.845 1.00 34.40 C ATOM 1978 CD1 LEU A 128 -15.039 -6.043 8.843 1.00 51.32 C ATOM 1979 CD2 LEU A 128 -13.725 -8.015 8.042 1.00 52.31 C ATOM 0 H LEU A 128 -18.380 -9.328 7.761 1.00 70.34 H new ATOM 0 HA LEU A 128 -17.729 -6.583 8.376 1.00 43.34 H new ATOM 0 HB2 LEU A 128 -16.269 -8.461 8.994 1.00 23.13 H new ATOM 0 HB3 LEU A 128 -16.117 -8.927 7.311 1.00 23.13 H new ATOM 0 HG LEU A 128 -14.969 -6.768 6.840 1.00 34.40 H new ATOM 0 HD11 LEU A 128 -14.147 -5.426 8.735 1.00 51.32 H new ATOM 0 HD12 LEU A 128 -15.925 -5.436 8.655 1.00 51.32 H new ATOM 0 HD13 LEU A 128 -15.082 -6.444 9.856 1.00 51.32 H new ATOM 0 HD21 LEU A 128 -12.851 -7.372 7.945 1.00 52.31 H new ATOM 0 HD22 LEU A 128 -13.736 -8.465 9.035 1.00 52.31 H new ATOM 0 HD23 LEU A 128 -13.683 -8.801 7.288 1.00 52.31 H new ATOM 1991 N PHE A 129 -17.721 -7.681 5.266 1.00 62.21 N ATOM 1992 CA PHE A 129 -17.722 -7.254 3.871 1.00 24.35 C ATOM 1993 C PHE A 129 -18.940 -6.387 3.569 1.00 50.00 C ATOM 1994 O PHE A 129 -18.956 -5.637 2.592 1.00 64.22 O ATOM 1995 CB PHE A 129 -17.704 -8.471 2.944 1.00 54.24 C ATOM 1996 CG PHE A 129 -16.327 -9.013 2.692 1.00 24.41 C ATOM 1997 CD1 PHE A 129 -15.477 -8.393 1.790 1.00 13.10 C ATOM 1998 CD2 PHE A 129 -15.880 -10.144 3.358 1.00 55.50 C ATOM 1999 CE1 PHE A 129 -14.209 -8.891 1.556 1.00 14.33 C ATOM 2000 CE2 PHE A 129 -14.613 -10.646 3.129 1.00 53.34 C ATOM 2001 CZ PHE A 129 -13.776 -10.018 2.227 1.00 14.32 C ATOM 0 H PHE A 129 -17.864 -8.682 5.401 1.00 62.21 H new ATOM 0 HA PHE A 129 -16.824 -6.661 3.697 1.00 24.35 H new ATOM 0 HB2 PHE A 129 -18.321 -9.257 3.378 1.00 54.24 H new ATOM 0 HB3 PHE A 129 -18.158 -8.199 1.991 1.00 54.24 H new ATOM 0 HD1 PHE A 129 -15.809 -7.510 1.264 1.00 13.10 H new ATOM 0 HD2 PHE A 129 -16.530 -10.639 4.064 1.00 55.50 H new ATOM 0 HE1 PHE A 129 -13.557 -8.399 0.849 1.00 14.33 H new ATOM 0 HE2 PHE A 129 -14.278 -11.528 3.654 1.00 53.34 H new ATOM 0 HZ PHE A 129 -12.785 -10.408 2.047 1.00 14.32 H new