USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 803 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 85 MET CE :methyl -111:sc= -2.53! (180deg=-5.05!) USER MOD Set 1.2: A 90 MET CE :methyl -115:sc= -1.68 (180deg=-6.66!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot -87:sc= 1.05 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 25 GLN : amide:sc=-0.00909 K(o=-0.0091,f=-1.3) USER MOD Single : A 28 HIS : no HD1:sc= -0.252 X(o=-0.25,f=-0.46) USER MOD Single : A 30 TYR OH : rot -21:sc= -4.25! USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.302 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN :FLIP amide:sc= -1.24 F(o=-1.9,f=-1.2) USER MOD Single : A 46 MET CE :methyl -150:sc= -3.31! (180deg=-4.18!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.0632 X(o=-0.063,f=-0.0083) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 48:sc= 0.393 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 94:sc= 1.23 USER MOD Single : A 66 MET CE :methyl -151:sc= -1.33! (180deg=-3.46!) USER MOD Single : A 71 MET CE :methyl -126:sc= -1.43 (180deg=-13.6!) USER MOD Single : A 76 THR OG1 : rot -76:sc= 1.25 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -0.351 X(o=-0.35,f=-0.35) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 9.768 -4.112 -0.630 1.00 74.23 N ATOM 49 CA LYS A 4 10.861 -4.735 -1.367 1.00 53.11 C ATOM 50 C LYS A 4 10.657 -6.243 -1.473 1.00 23.13 C ATOM 51 O LYS A 4 10.571 -6.792 -2.571 1.00 33.14 O ATOM 52 CB LYS A 4 12.198 -4.437 -0.687 1.00 4.34 C ATOM 53 CG LYS A 4 12.887 -3.191 -1.216 1.00 14.11 C ATOM 54 CD LYS A 4 13.174 -2.196 -0.104 1.00 62.11 C ATOM 55 CE LYS A 4 12.047 -1.186 0.044 1.00 4.50 C ATOM 56 NZ LYS A 4 12.463 0.177 -0.391 1.00 25.42 N1+ ATOM 0 HA LYS A 4 10.871 -4.316 -2.373 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.033 -4.323 0.384 1.00 4.34 H new ATOM 0 HB3 LYS A 4 12.861 -5.292 -0.819 1.00 4.34 H new ATOM 0 HG2 LYS A 4 13.820 -3.470 -1.705 1.00 14.11 H new ATOM 0 HG3 LYS A 4 12.259 -2.721 -1.973 1.00 14.11 H new ATOM 0 HD2 LYS A 4 13.312 -2.729 0.836 1.00 62.11 H new ATOM 0 HD3 LYS A 4 14.107 -1.673 -0.314 1.00 62.11 H new ATOM 0 HE2 LYS A 4 11.189 -1.510 -0.546 1.00 4.50 H new ATOM 0 HE3 LYS A 4 11.724 -1.152 1.084 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 11.667 0.836 -0.275 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 13.265 0.497 0.189 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 12.747 0.151 -1.391 1.00 25.42 H new ATOM 70 N SER A 5 10.579 -6.907 -0.323 1.00 45.41 N ATOM 71 CA SER A 5 10.387 -8.351 -0.286 1.00 45.22 C ATOM 72 C SER A 5 9.315 -8.783 -1.282 1.00 54.53 C ATOM 73 O SER A 5 9.373 -9.879 -1.839 1.00 44.30 O ATOM 74 CB SER A 5 10.000 -8.800 1.125 1.00 53.55 C ATOM 75 OG SER A 5 9.031 -7.932 1.687 1.00 22.21 O ATOM 0 H SER A 5 10.646 -6.467 0.595 1.00 45.41 H new ATOM 0 HA SER A 5 11.328 -8.825 -0.565 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.607 -9.816 1.092 1.00 53.55 H new ATOM 0 HB3 SER A 5 10.886 -8.821 1.760 1.00 53.55 H new ATOM 0 HG SER A 5 9.481 -7.179 2.124 1.00 22.21 H new ATOM 81 N ASP A 6 8.335 -7.912 -1.500 1.00 52.44 N ATOM 82 CA ASP A 6 7.249 -8.201 -2.430 1.00 71.01 C ATOM 83 C ASP A 6 7.795 -8.585 -3.802 1.00 21.35 C ATOM 84 O ASP A 6 7.407 -9.605 -4.370 1.00 22.51 O ATOM 85 CB ASP A 6 6.323 -6.990 -2.558 1.00 22.02 C ATOM 86 CG ASP A 6 4.858 -7.380 -2.563 1.00 15.21 C ATOM 87 OD1 ASP A 6 4.470 -8.243 -1.747 1.00 43.34 O ATOM 88 OD2 ASP A 6 4.098 -6.821 -3.382 1.00 45.13 O1- ATOM 0 H ASP A 6 8.270 -7.001 -1.046 1.00 52.44 H new ATOM 0 HA ASP A 6 6.681 -9.044 -2.036 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.511 -6.304 -1.732 1.00 22.02 H new ATOM 0 HB3 ASP A 6 6.556 -6.453 -3.478 1.00 22.02 H new ATOM 93 N GLU A 7 8.696 -7.761 -4.327 1.00 34.23 N ATOM 94 CA GLU A 7 9.293 -8.015 -5.633 1.00 34.02 C ATOM 95 C GLU A 7 9.861 -9.430 -5.705 1.00 65.44 C ATOM 96 O GLU A 7 9.766 -10.098 -6.736 1.00 4.31 O ATOM 97 CB GLU A 7 10.396 -6.995 -5.921 1.00 60.23 C ATOM 98 CG GLU A 7 11.022 -7.148 -7.297 1.00 53.31 C ATOM 99 CD GLU A 7 10.949 -5.875 -8.116 1.00 52.50 C ATOM 100 OE1 GLU A 7 11.569 -4.870 -7.707 1.00 42.03 O ATOM 101 OE2 GLU A 7 10.271 -5.880 -9.166 1.00 23.23 O1- ATOM 0 H GLU A 7 9.028 -6.913 -3.869 1.00 34.23 H new ATOM 0 HA GLU A 7 8.512 -7.917 -6.387 1.00 34.02 H new ATOM 0 HB2 GLU A 7 9.983 -5.990 -5.828 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.175 -7.091 -5.164 1.00 60.23 H new ATOM 0 HG2 GLU A 7 12.065 -7.445 -7.186 1.00 53.31 H new ATOM 0 HG3 GLU A 7 10.517 -7.951 -7.834 1.00 53.31 H new ATOM 108 N VAL A 8 10.454 -9.880 -4.604 1.00 74.30 N ATOM 109 CA VAL A 8 11.038 -11.215 -4.541 1.00 35.34 C ATOM 110 C VAL A 8 10.036 -12.274 -4.989 1.00 41.31 C ATOM 111 O VAL A 8 10.274 -12.999 -5.955 1.00 60.20 O ATOM 112 CB VAL A 8 11.520 -11.550 -3.117 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.136 -12.940 -3.075 1.00 15.23 C ATOM 114 CG2 VAL A 8 12.512 -10.503 -2.631 1.00 74.14 C ATOM 0 H VAL A 8 10.543 -9.340 -3.743 1.00 74.30 H new ATOM 0 HA VAL A 8 11.894 -11.219 -5.216 1.00 35.34 H new ATOM 0 HB VAL A 8 10.659 -11.540 -2.449 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.471 -13.159 -2.061 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.392 -13.677 -3.379 1.00 15.23 H new ATOM 0 HG13 VAL A 8 12.987 -12.982 -3.755 1.00 15.23 H new ATOM 0 HG21 VAL A 8 12.842 -10.755 -1.623 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.372 -10.479 -3.300 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.032 -9.524 -2.621 1.00 74.14 H new ATOM 124 N PHE A 9 8.915 -12.359 -4.281 1.00 5.40 N ATOM 125 CA PHE A 9 7.877 -13.330 -4.605 1.00 4.42 C ATOM 126 C PHE A 9 7.565 -13.313 -6.098 1.00 14.12 C ATOM 127 O PHE A 9 7.410 -14.363 -6.722 1.00 72.03 O ATOM 128 CB PHE A 9 6.607 -13.037 -3.803 1.00 14.30 C ATOM 129 CG PHE A 9 6.866 -12.766 -2.349 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.569 -13.675 -1.575 1.00 64.03 C ATOM 131 CD2 PHE A 9 6.404 -11.602 -1.754 1.00 71.40 C ATOM 132 CE1 PHE A 9 7.809 -13.428 -0.236 1.00 45.45 C ATOM 133 CE2 PHE A 9 6.641 -11.350 -0.416 1.00 70.23 C ATOM 134 CZ PHE A 9 7.343 -12.265 0.344 1.00 3.11 C ATOM 0 H PHE A 9 8.702 -11.767 -3.478 1.00 5.40 H new ATOM 0 HA PHE A 9 8.245 -14.321 -4.340 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.101 -12.176 -4.240 1.00 14.30 H new ATOM 0 HB3 PHE A 9 5.928 -13.885 -3.891 1.00 14.30 H new ATOM 0 HD1 PHE A 9 7.934 -14.587 -2.023 1.00 64.03 H new ATOM 0 HD2 PHE A 9 5.853 -10.884 -2.343 1.00 71.40 H new ATOM 0 HE1 PHE A 9 8.360 -14.144 0.356 1.00 45.45 H new ATOM 0 HE2 PHE A 9 6.278 -10.438 0.035 1.00 70.23 H new ATOM 0 HZ PHE A 9 7.527 -12.071 1.390 1.00 3.11 H new ATOM 144 N ALA A 10 7.472 -12.115 -6.663 1.00 54.15 N ATOM 145 CA ALA A 10 7.179 -11.960 -8.084 1.00 71.40 C ATOM 146 C ALA A 10 8.248 -12.629 -8.941 1.00 23.42 C ATOM 147 O ALA A 10 7.945 -13.243 -9.964 1.00 32.34 O ATOM 148 CB ALA A 10 7.059 -10.487 -8.441 1.00 11.12 C ATOM 0 H ALA A 10 7.595 -11.236 -6.160 1.00 54.15 H new ATOM 0 HA ALA A 10 6.227 -12.450 -8.289 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.840 -10.387 -9.504 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.254 -10.036 -7.861 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.997 -9.980 -8.214 1.00 11.12 H new ATOM 154 N LYS A 11 9.502 -12.506 -8.516 1.00 53.04 N ATOM 155 CA LYS A 11 10.618 -13.098 -9.244 1.00 71.11 C ATOM 156 C LYS A 11 10.561 -14.621 -9.183 1.00 34.23 C ATOM 157 O LYS A 11 10.590 -15.295 -10.213 1.00 35.32 O ATOM 158 CB LYS A 11 11.948 -12.603 -8.670 1.00 75.32 C ATOM 159 CG LYS A 11 12.383 -11.256 -9.219 1.00 51.04 C ATOM 160 CD LYS A 11 12.788 -11.353 -10.681 1.00 31.12 C ATOM 161 CE LYS A 11 13.502 -10.095 -11.147 1.00 2.51 C ATOM 162 NZ LYS A 11 12.943 -9.581 -12.428 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.770 -12.002 -7.671 1.00 53.04 H new ATOM 0 HA LYS A 11 10.543 -12.791 -10.287 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.863 -12.534 -7.586 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.723 -13.340 -8.882 1.00 75.32 H new ATOM 0 HG2 LYS A 11 11.569 -10.539 -9.113 1.00 51.04 H new ATOM 0 HG3 LYS A 11 13.220 -10.877 -8.633 1.00 51.04 H new ATOM 0 HD2 LYS A 11 13.439 -12.216 -10.823 1.00 31.12 H new ATOM 0 HD3 LYS A 11 11.902 -11.518 -11.295 1.00 31.12 H new ATOM 0 HE2 LYS A 11 13.419 -9.325 -10.380 1.00 2.51 H new ATOM 0 HE3 LYS A 11 14.564 -10.306 -11.273 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 13.457 -8.723 -12.711 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 13.045 -10.306 -13.167 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 11.936 -9.355 -12.301 1.00 32.05 H new ATOM 176 N ILE A 12 10.478 -15.157 -7.969 1.00 21.10 N ATOM 177 CA ILE A 12 10.413 -16.599 -7.774 1.00 64.54 C ATOM 178 C ILE A 12 9.259 -17.210 -8.561 1.00 34.03 C ATOM 179 O ILE A 12 9.384 -18.295 -9.125 1.00 74.53 O ATOM 180 CB ILE A 12 10.254 -16.960 -6.286 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.522 -16.597 -5.511 1.00 64.04 C ATOM 182 CG2 ILE A 12 9.937 -18.441 -6.131 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.425 -16.876 -4.028 1.00 2.33 C ATOM 0 H ILE A 12 10.454 -14.613 -7.106 1.00 21.10 H new ATOM 0 HA ILE A 12 11.355 -17.009 -8.139 1.00 64.54 H new ATOM 0 HB ILE A 12 9.424 -16.385 -5.875 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.362 -17.156 -5.923 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.739 -15.539 -5.660 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.827 -18.681 -5.073 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.008 -18.671 -6.653 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.748 -19.033 -6.555 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.360 -16.594 -3.543 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.606 -16.297 -3.602 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.239 -17.938 -3.869 1.00 2.33 H new ATOM 195 N ALA A 13 8.134 -16.503 -8.593 1.00 52.24 N ATOM 196 CA ALA A 13 6.956 -16.972 -9.314 1.00 63.33 C ATOM 197 C ALA A 13 7.170 -16.899 -10.822 1.00 65.53 C ATOM 198 O ALA A 13 6.973 -17.882 -11.536 1.00 52.01 O ATOM 199 CB ALA A 13 5.733 -16.161 -8.913 1.00 65.33 C ATOM 0 H ALA A 13 8.013 -15.603 -8.128 1.00 52.24 H new ATOM 0 HA ALA A 13 6.789 -18.016 -9.047 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.862 -16.522 -9.459 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.560 -16.268 -7.842 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.900 -15.110 -9.150 1.00 65.33 H new ATOM 205 N LYS A 14 7.575 -15.728 -11.302 1.00 61.31 N ATOM 206 CA LYS A 14 7.817 -15.526 -12.726 1.00 24.13 C ATOM 207 C LYS A 14 8.771 -16.583 -13.270 1.00 74.23 C ATOM 208 O LYS A 14 8.691 -16.961 -14.440 1.00 64.00 O ATOM 209 CB LYS A 14 8.392 -14.129 -12.972 1.00 55.21 C ATOM 210 CG LYS A 14 8.290 -13.677 -14.419 1.00 43.13 C ATOM 211 CD LYS A 14 8.891 -12.295 -14.615 1.00 15.10 C ATOM 212 CE LYS A 14 8.742 -11.822 -16.053 1.00 0.23 C ATOM 213 NZ LYS A 14 9.328 -10.467 -16.254 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.743 -14.904 -10.725 1.00 61.31 H new ATOM 0 HA LYS A 14 6.865 -15.618 -13.249 1.00 24.13 H new ATOM 0 HB2 LYS A 14 7.869 -13.413 -12.338 1.00 55.21 H new ATOM 0 HB3 LYS A 14 9.439 -14.117 -12.669 1.00 55.21 H new ATOM 0 HG2 LYS A 14 8.803 -14.392 -15.062 1.00 43.13 H new ATOM 0 HG3 LYS A 14 7.244 -13.667 -14.725 1.00 43.13 H new ATOM 0 HD2 LYS A 14 8.403 -11.587 -13.945 1.00 15.10 H new ATOM 0 HD3 LYS A 14 9.947 -12.314 -14.345 1.00 15.10 H new ATOM 0 HE2 LYS A 14 9.230 -12.532 -16.721 1.00 0.23 H new ATOM 0 HE3 LYS A 14 7.686 -11.805 -16.322 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 9.207 -10.180 -17.246 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 8.846 -9.785 -15.635 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 10.341 -10.489 -16.022 1.00 52.31 H new ATOM 227 N ARG A 15 9.671 -17.059 -12.417 1.00 24.20 N ATOM 228 CA ARG A 15 10.640 -18.074 -12.814 1.00 2.23 C ATOM 229 C ARG A 15 9.961 -19.426 -13.009 1.00 74.55 C ATOM 230 O ARG A 15 10.367 -20.220 -13.860 1.00 13.42 O ATOM 231 CB ARG A 15 11.745 -18.194 -11.762 1.00 52.33 C ATOM 232 CG ARG A 15 13.126 -18.422 -12.354 1.00 60.13 C ATOM 233 CD ARG A 15 13.148 -19.644 -13.259 1.00 64.22 C ATOM 234 NE ARG A 15 14.490 -19.928 -13.763 1.00 31.41 N ATOM 235 CZ ARG A 15 15.097 -19.196 -14.691 1.00 3.45 C ATOM 236 NH1 ARG A 15 14.485 -18.142 -15.212 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 16.319 -19.518 -15.097 1.00 54.20 N ATOM 0 H ARG A 15 9.750 -16.758 -11.446 1.00 24.20 H new ATOM 0 HA ARG A 15 11.082 -17.768 -13.762 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.762 -17.285 -11.160 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.507 -19.018 -11.089 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.430 -17.542 -12.921 1.00 60.13 H new ATOM 0 HG3 ARG A 15 13.851 -18.550 -11.550 1.00 60.13 H new ATOM 0 HD2 ARG A 15 12.777 -20.509 -12.709 1.00 64.22 H new ATOM 0 HD3 ARG A 15 12.471 -19.485 -14.099 1.00 64.22 H new ATOM 0 HE ARG A 15 14.988 -20.732 -13.381 1.00 31.41 H new ATOM 0 HH11 ARG A 15 13.547 -17.892 -14.901 1.00 71.10 H new ATOM 0 HH12 ARG A 15 14.953 -17.581 -15.924 1.00 71.10 H new ATOM 0 HH21 ARG A 15 16.793 -20.328 -14.697 1.00 54.20 H new ATOM 0 HH22 ARG A 15 16.784 -18.956 -15.809 1.00 54.20 H new ATOM 251 N LEU A 16 8.926 -19.683 -12.216 1.00 62.42 N ATOM 252 CA LEU A 16 8.191 -20.941 -12.301 1.00 42.54 C ATOM 253 C LEU A 16 7.478 -21.064 -13.645 1.00 3.14 C ATOM 254 O LEU A 16 7.179 -22.168 -14.099 1.00 45.05 O ATOM 255 CB LEU A 16 7.176 -21.038 -11.161 1.00 71.15 C ATOM 256 CG LEU A 16 7.678 -20.622 -9.778 1.00 53.24 C ATOM 257 CD1 LEU A 16 6.733 -21.119 -8.696 1.00 44.00 C ATOM 258 CD2 LEU A 16 9.086 -21.147 -9.542 1.00 22.33 C ATOM 0 H LEU A 16 8.577 -19.038 -11.507 1.00 62.42 H new ATOM 0 HA LEU A 16 8.906 -21.759 -12.213 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.315 -20.419 -11.414 1.00 71.15 H new ATOM 0 HB3 LEU A 16 6.823 -22.067 -11.103 1.00 71.15 H new ATOM 0 HG LEU A 16 7.706 -19.533 -9.735 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.106 -20.814 -7.719 1.00 44.00 H new ATOM 0 HD12 LEU A 16 5.742 -20.694 -8.855 1.00 44.00 H new ATOM 0 HD13 LEU A 16 6.672 -22.207 -8.738 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.427 -20.841 -8.553 1.00 22.33 H new ATOM 0 HD22 LEU A 16 9.084 -22.235 -9.605 1.00 22.33 H new ATOM 0 HD23 LEU A 16 9.757 -20.741 -10.299 1.00 22.33 H new ATOM 270 N GLU A 17 7.210 -19.924 -14.274 1.00 24.21 N ATOM 271 CA GLU A 17 6.534 -19.906 -15.565 1.00 73.03 C ATOM 272 C GLU A 17 7.267 -20.785 -16.575 1.00 53.54 C ATOM 273 O GLU A 17 6.686 -21.226 -17.567 1.00 53.11 O ATOM 274 CB GLU A 17 6.435 -18.474 -16.095 1.00 62.44 C ATOM 275 CG GLU A 17 5.798 -17.505 -15.114 1.00 32.22 C ATOM 276 CD GLU A 17 5.787 -16.079 -15.627 1.00 55.30 C ATOM 277 OE1 GLU A 17 6.717 -15.708 -16.373 1.00 71.21 O1- ATOM 278 OE2 GLU A 17 4.847 -15.331 -15.282 1.00 64.43 O ATOM 0 H GLU A 17 7.451 -19.002 -13.910 1.00 24.21 H new ATOM 0 HA GLU A 17 5.529 -20.303 -15.425 1.00 73.03 H new ATOM 0 HB2 GLU A 17 7.434 -18.119 -16.347 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.856 -18.476 -17.018 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.775 -17.821 -14.909 1.00 32.22 H new ATOM 0 HG3 GLU A 17 6.339 -17.543 -14.168 1.00 32.22 H new ATOM 285 N SER A 18 8.547 -21.033 -16.316 1.00 60.23 N ATOM 286 CA SER A 18 9.361 -21.855 -17.204 1.00 50.12 C ATOM 287 C SER A 18 9.254 -23.330 -16.830 1.00 44.52 C ATOM 288 O SER A 18 9.421 -24.210 -17.675 1.00 12.43 O ATOM 289 CB SER A 18 10.823 -21.407 -17.150 1.00 53.43 C ATOM 290 OG SER A 18 11.232 -20.851 -18.387 1.00 62.03 O ATOM 0 H SER A 18 9.043 -20.677 -15.499 1.00 60.23 H new ATOM 0 HA SER A 18 8.987 -21.729 -18.220 1.00 50.12 H new ATOM 0 HB2 SER A 18 10.952 -20.671 -16.357 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.458 -22.257 -16.902 1.00 53.43 H new ATOM 0 HG SER A 18 12.169 -20.571 -18.326 1.00 62.03 H new ATOM 296 N ILE A 19 8.977 -23.591 -15.557 1.00 61.30 N ATOM 297 CA ILE A 19 8.847 -24.959 -15.069 1.00 41.24 C ATOM 298 C ILE A 19 7.954 -25.787 -15.987 1.00 31.14 C ATOM 299 O ILE A 19 6.731 -25.645 -15.971 1.00 72.51 O ATOM 300 CB ILE A 19 8.273 -24.996 -13.641 1.00 11.12 C ATOM 301 CG1 ILE A 19 9.336 -24.560 -12.630 1.00 33.03 C ATOM 302 CG2 ILE A 19 7.761 -26.390 -13.312 1.00 52.32 C ATOM 303 CD1 ILE A 19 8.798 -24.385 -11.227 1.00 70.51 C ATOM 0 H ILE A 19 8.838 -22.874 -14.845 1.00 61.30 H new ATOM 0 HA ILE A 19 9.849 -25.387 -15.059 1.00 41.24 H new ATOM 0 HB ILE A 19 7.436 -24.300 -13.583 1.00 11.12 H new ATOM 0 HG12 ILE A 19 10.136 -25.300 -12.614 1.00 33.03 H new ATOM 0 HG13 ILE A 19 9.777 -23.620 -12.961 1.00 33.03 H new ATOM 0 HG21 ILE A 19 7.358 -26.400 -12.299 1.00 52.32 H new ATOM 0 HG22 ILE A 19 6.977 -26.665 -14.017 1.00 52.32 H new ATOM 0 HG23 ILE A 19 8.581 -27.105 -13.384 1.00 52.32 H new ATOM 0 HD11 ILE A 19 9.606 -24.075 -10.564 1.00 70.51 H new ATOM 0 HD12 ILE A 19 8.018 -23.624 -11.229 1.00 70.51 H new ATOM 0 HD13 ILE A 19 8.382 -25.330 -10.876 1.00 70.51 H new ATOM 315 N ASP A 20 8.572 -26.652 -16.783 1.00 31.11 N ATOM 316 CA ASP A 20 7.832 -27.505 -17.705 1.00 60.31 C ATOM 317 C ASP A 20 7.803 -28.947 -17.206 1.00 52.22 C ATOM 318 O ASP A 20 8.763 -29.447 -16.619 1.00 2.52 O ATOM 319 CB ASP A 20 8.457 -27.448 -19.100 1.00 72.22 C ATOM 320 CG ASP A 20 7.537 -26.807 -20.120 1.00 72.21 C ATOM 321 OD1 ASP A 20 6.884 -25.799 -19.779 1.00 54.13 O1- ATOM 322 OD2 ASP A 20 7.468 -27.315 -21.260 1.00 1.44 O ATOM 0 H ASP A 20 9.583 -26.781 -16.808 1.00 31.11 H new ATOM 0 HA ASP A 20 6.808 -27.137 -17.759 1.00 60.31 H new ATOM 0 HB2 ASP A 20 9.391 -26.887 -19.054 1.00 72.22 H new ATOM 0 HB3 ASP A 20 8.707 -28.458 -19.425 1.00 72.22 H new ATOM 327 N PRO A 21 6.675 -29.633 -17.445 1.00 3.01 N ATOM 328 CA PRO A 21 6.493 -31.027 -17.028 1.00 51.32 C ATOM 329 C PRO A 21 7.364 -31.990 -17.828 1.00 31.01 C ATOM 330 O PRO A 21 7.481 -33.166 -17.486 1.00 73.52 O ATOM 331 CB PRO A 21 5.011 -31.290 -17.305 1.00 40.32 C ATOM 332 CG PRO A 21 4.650 -30.325 -18.381 1.00 41.15 C ATOM 333 CD PRO A 21 5.491 -29.102 -18.140 1.00 41.12 C ATOM 0 HA PRO A 21 6.780 -31.182 -15.988 1.00 51.32 H new ATOM 0 HB2 PRO A 21 4.844 -32.319 -17.624 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.407 -31.131 -16.412 1.00 40.32 H new ATOM 0 HG2 PRO A 21 4.848 -30.747 -19.366 1.00 41.15 H new ATOM 0 HG3 PRO A 21 3.588 -30.081 -18.346 1.00 41.15 H new ATOM 0 HD2 PRO A 21 5.761 -28.610 -19.074 1.00 41.12 H new ATOM 0 HD3 PRO A 21 4.965 -28.366 -17.532 1.00 41.12 H new ATOM 341 N ALA A 22 7.975 -31.482 -18.893 1.00 74.25 N ATOM 342 CA ALA A 22 8.837 -32.296 -19.740 1.00 71.25 C ATOM 343 C ALA A 22 10.176 -32.567 -19.062 1.00 24.44 C ATOM 344 O ALA A 22 10.964 -33.387 -19.529 1.00 64.13 O ATOM 345 CB ALA A 22 9.052 -31.616 -21.084 1.00 74.40 C ATOM 0 H ALA A 22 7.889 -30.510 -19.190 1.00 74.25 H new ATOM 0 HA ALA A 22 8.342 -33.253 -19.905 1.00 71.25 H new ATOM 0 HB1 ALA A 22 9.698 -32.236 -21.706 1.00 74.40 H new ATOM 0 HB2 ALA A 22 8.091 -31.480 -21.581 1.00 74.40 H new ATOM 0 HB3 ALA A 22 9.521 -30.644 -20.929 1.00 74.40 H new ATOM 351 N ASN A 23 10.426 -31.870 -17.958 1.00 31.42 N ATOM 352 CA ASN A 23 11.671 -32.035 -17.216 1.00 33.21 C ATOM 353 C ASN A 23 11.643 -31.227 -15.921 1.00 71.22 C ATOM 354 O ASN A 23 11.801 -30.006 -15.937 1.00 21.44 O ATOM 355 CB ASN A 23 12.861 -31.603 -18.075 1.00 24.34 C ATOM 356 CG ASN A 23 14.041 -32.547 -17.943 1.00 24.24 C ATOM 357 OD1 ASN A 23 14.501 -33.124 -18.927 1.00 64.52 O ATOM 358 ND2 ASN A 23 14.536 -32.708 -16.720 1.00 44.13 N ATOM 0 H ASN A 23 9.784 -31.186 -17.558 1.00 31.42 H new ATOM 0 HA ASN A 23 11.778 -33.090 -16.963 1.00 33.21 H new ATOM 0 HB2 ASN A 23 12.553 -31.554 -19.119 1.00 24.34 H new ATOM 0 HB3 ASN A 23 13.169 -30.598 -17.786 1.00 24.34 H new ATOM 0 HD21 ASN A 23 15.330 -33.331 -16.569 1.00 44.13 H new ATOM 0 HD22 ASN A 23 14.122 -32.209 -15.933 1.00 44.13 H new ATOM 365 N ARG A 24 11.442 -31.917 -14.804 1.00 31.34 N ATOM 366 CA ARG A 24 11.393 -31.265 -13.501 1.00 3.31 C ATOM 367 C ARG A 24 12.506 -31.781 -12.593 1.00 41.40 C ATOM 368 O ARG A 24 13.265 -32.672 -12.971 1.00 60.52 O ATOM 369 CB ARG A 24 10.033 -31.498 -12.841 1.00 43.24 C ATOM 370 CG ARG A 24 8.855 -31.119 -13.723 1.00 73.04 C ATOM 371 CD ARG A 24 8.456 -29.666 -13.527 1.00 15.52 C ATOM 372 NE ARG A 24 9.506 -28.894 -12.867 1.00 53.32 N ATOM 373 CZ ARG A 24 10.363 -28.114 -13.517 1.00 20.53 C ATOM 374 NH1 ARG A 24 10.295 -28.003 -14.836 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 11.291 -27.443 -12.846 1.00 32.13 N ATOM 0 H ARG A 24 11.310 -32.928 -14.775 1.00 31.34 H new ATOM 0 HA ARG A 24 11.537 -30.195 -13.652 1.00 3.31 H new ATOM 0 HB2 ARG A 24 9.947 -32.549 -12.567 1.00 43.24 H new ATOM 0 HB3 ARG A 24 9.984 -30.922 -11.917 1.00 43.24 H new ATOM 0 HG2 ARG A 24 9.113 -31.289 -14.768 1.00 73.04 H new ATOM 0 HG3 ARG A 24 8.006 -31.764 -13.495 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.231 -29.218 -14.495 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.543 -29.618 -12.933 1.00 15.52 H new ATOM 0 HE ARG A 24 9.586 -28.957 -11.852 1.00 53.32 H new ATOM 0 HH11 ARG A 24 9.583 -28.517 -15.355 1.00 42.41 H new ATOM 0 HH12 ARG A 24 10.954 -27.403 -15.332 1.00 42.41 H new ATOM 0 HH21 ARG A 24 11.346 -27.526 -11.831 1.00 32.13 H new ATOM 0 HH22 ARG A 24 11.949 -26.844 -13.345 1.00 32.13 H new ATOM 389 N GLN A 25 12.597 -31.211 -11.396 1.00 23.44 N ATOM 390 CA GLN A 25 13.617 -31.613 -10.435 1.00 3.41 C ATOM 391 C GLN A 25 12.987 -32.288 -9.221 1.00 43.32 C ATOM 392 O GLN A 25 13.488 -33.300 -8.731 1.00 3.03 O ATOM 393 CB GLN A 25 14.436 -30.398 -9.990 1.00 73.40 C ATOM 394 CG GLN A 25 15.933 -30.569 -10.185 1.00 65.05 C ATOM 395 CD GLN A 25 16.348 -30.463 -11.639 1.00 54.13 C ATOM 396 OE1 GLN A 25 15.553 -30.078 -12.497 1.00 72.12 O ATOM 397 NE2 GLN A 25 17.599 -30.804 -11.925 1.00 12.31 N ATOM 0 H GLN A 25 11.977 -30.470 -11.069 1.00 23.44 H new ATOM 0 HA GLN A 25 14.278 -32.329 -10.924 1.00 3.41 H new ATOM 0 HB2 GLN A 25 14.103 -29.522 -10.547 1.00 73.40 H new ATOM 0 HB3 GLN A 25 14.235 -30.201 -8.937 1.00 73.40 H new ATOM 0 HG2 GLN A 25 16.460 -29.812 -9.605 1.00 65.05 H new ATOM 0 HG3 GLN A 25 16.238 -31.540 -9.794 1.00 65.05 H new ATOM 0 HE21 GLN A 25 18.224 -31.118 -11.183 1.00 12.31 H new ATOM 0 HE22 GLN A 25 17.935 -30.752 -12.887 1.00 12.31 H new ATOM 406 N VAL A 26 11.886 -31.720 -8.739 1.00 53.35 N ATOM 407 CA VAL A 26 11.187 -32.268 -7.583 1.00 53.24 C ATOM 408 C VAL A 26 9.882 -31.522 -7.327 1.00 23.30 C ATOM 409 O VAL A 26 9.810 -30.304 -7.485 1.00 23.40 O ATOM 410 CB VAL A 26 12.060 -32.202 -6.316 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.057 -30.796 -5.738 1.00 24.22 C ATOM 412 CG2 VAL A 26 11.579 -33.213 -5.286 1.00 61.33 C ATOM 0 H VAL A 26 11.459 -30.881 -9.131 1.00 53.35 H new ATOM 0 HA VAL A 26 10.968 -33.311 -7.810 1.00 53.24 H new ATOM 0 HB VAL A 26 13.085 -32.454 -6.588 1.00 62.44 H new ATOM 0 HG11 VAL A 26 12.679 -30.769 -4.843 1.00 24.22 H new ATOM 0 HG12 VAL A 26 12.452 -30.098 -6.476 1.00 24.22 H new ATOM 0 HG13 VAL A 26 11.037 -30.511 -5.479 1.00 24.22 H new ATOM 0 HG21 VAL A 26 12.207 -33.153 -4.397 1.00 61.33 H new ATOM 0 HG22 VAL A 26 10.546 -32.994 -5.016 1.00 61.33 H new ATOM 0 HG23 VAL A 26 11.639 -34.217 -5.706 1.00 61.33 H new ATOM 422 N GLU A 27 8.852 -32.263 -6.928 1.00 51.22 N ATOM 423 CA GLU A 27 7.549 -31.671 -6.650 1.00 53.14 C ATOM 424 C GLU A 27 7.169 -31.855 -5.184 1.00 20.43 C ATOM 425 O GLU A 27 7.135 -32.977 -4.677 1.00 21.25 O ATOM 426 CB GLU A 27 6.478 -32.294 -7.548 1.00 64.43 C ATOM 427 CG GLU A 27 6.433 -31.699 -8.946 1.00 1.54 C ATOM 428 CD GLU A 27 5.115 -31.009 -9.244 1.00 23.31 C ATOM 429 OE1 GLU A 27 4.970 -29.824 -8.880 1.00 0.53 O1- ATOM 430 OE2 GLU A 27 4.230 -31.656 -9.841 1.00 13.03 O ATOM 0 H GLU A 27 8.895 -33.273 -6.790 1.00 51.22 H new ATOM 0 HA GLU A 27 7.612 -30.603 -6.860 1.00 53.14 H new ATOM 0 HB2 GLU A 27 6.659 -33.366 -7.624 1.00 64.43 H new ATOM 0 HB3 GLU A 27 5.503 -32.168 -7.077 1.00 64.43 H new ATOM 0 HG2 GLU A 27 7.247 -30.983 -9.059 1.00 1.54 H new ATOM 0 HG3 GLU A 27 6.599 -32.489 -9.679 1.00 1.54 H new ATOM 437 N HIS A 28 6.885 -30.747 -4.508 1.00 1.34 N ATOM 438 CA HIS A 28 6.507 -30.786 -3.100 1.00 23.23 C ATOM 439 C HIS A 28 6.032 -29.416 -2.627 1.00 12.45 C ATOM 440 O HIS A 28 6.012 -28.455 -3.395 1.00 2.54 O ATOM 441 CB HIS A 28 7.687 -31.251 -2.246 1.00 64.15 C ATOM 442 CG HIS A 28 7.555 -32.661 -1.758 1.00 70.02 C ATOM 443 ND1 HIS A 28 6.445 -33.122 -1.081 1.00 64.13 N ATOM 444 CD2 HIS A 28 8.400 -33.715 -1.854 1.00 51.55 C ATOM 445 CE1 HIS A 28 6.615 -34.398 -0.781 1.00 15.35 C ATOM 446 NE2 HIS A 28 7.792 -34.781 -1.238 1.00 63.45 N ATOM 0 H HIS A 28 6.909 -29.811 -4.912 1.00 1.34 H new ATOM 0 HA HIS A 28 5.686 -31.494 -2.990 1.00 23.23 H new ATOM 0 HB2 HIS A 28 8.604 -31.161 -2.828 1.00 64.15 H new ATOM 0 HB3 HIS A 28 7.788 -30.586 -1.388 1.00 64.15 H new ATOM 0 HD2 HIS A 28 9.371 -33.717 -2.327 1.00 51.55 H new ATOM 0 HE1 HIS A 28 5.910 -35.022 -0.251 1.00 15.35 H new ATOM 0 HE2 HIS A 28 8.186 -35.717 -1.148 1.00 63.45 H new ATOM 454 N VAL A 29 5.648 -29.334 -1.356 1.00 54.23 N ATOM 455 CA VAL A 29 5.173 -28.082 -0.781 1.00 31.14 C ATOM 456 C VAL A 29 6.311 -27.315 -0.117 1.00 41.44 C ATOM 457 O VAL A 29 7.163 -27.901 0.550 1.00 25.11 O ATOM 458 CB VAL A 29 4.061 -28.327 0.257 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.836 -27.083 1.103 1.00 32.45 C ATOM 460 CG2 VAL A 29 2.773 -28.753 -0.433 1.00 5.11 C ATOM 0 H VAL A 29 5.657 -30.120 -0.706 1.00 54.23 H new ATOM 0 HA VAL A 29 4.770 -27.490 -1.603 1.00 31.14 H new ATOM 0 HB VAL A 29 4.377 -29.134 0.918 1.00 21.50 H new ATOM 0 HG11 VAL A 29 3.047 -27.275 1.830 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.757 -26.827 1.626 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.542 -26.254 0.460 1.00 32.45 H new ATOM 0 HG21 VAL A 29 1.998 -28.922 0.315 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.451 -27.969 -1.118 1.00 5.11 H new ATOM 0 HG23 VAL A 29 2.946 -29.674 -0.990 1.00 5.11 H new ATOM 470 N TYR A 30 6.319 -25.999 -0.305 1.00 54.15 N ATOM 471 CA TYR A 30 7.354 -25.151 0.273 1.00 42.42 C ATOM 472 C TYR A 30 6.738 -23.988 1.045 1.00 53.31 C ATOM 473 O TYR A 30 5.791 -23.352 0.581 1.00 71.04 O ATOM 474 CB TYR A 30 8.277 -24.618 -0.823 1.00 40.44 C ATOM 475 CG TYR A 30 9.342 -23.673 -0.313 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.011 -22.398 0.132 1.00 23.33 C ATOM 477 CD2 TYR A 30 10.677 -24.053 -0.276 1.00 63.54 C ATOM 478 CE1 TYR A 30 9.980 -21.532 0.600 1.00 42.43 C ATOM 479 CE2 TYR A 30 11.653 -23.195 0.191 1.00 50.54 C ATOM 480 CZ TYR A 30 11.300 -21.934 0.627 1.00 32.12 C ATOM 481 OH TYR A 30 12.269 -21.075 1.091 1.00 33.15 O ATOM 0 H TYR A 30 5.620 -25.497 -0.853 1.00 54.15 H new ATOM 0 HA TYR A 30 7.937 -25.756 0.967 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.758 -25.459 -1.321 1.00 40.44 H new ATOM 0 HB3 TYR A 30 7.677 -24.104 -1.574 1.00 40.44 H new ATOM 0 HD1 TYR A 30 7.979 -22.079 0.111 1.00 23.33 H new ATOM 0 HD2 TYR A 30 10.957 -25.038 -0.619 1.00 63.54 H new ATOM 0 HE1 TYR A 30 9.706 -20.545 0.943 1.00 42.43 H new ATOM 0 HE2 TYR A 30 12.686 -23.509 0.215 1.00 50.54 H new ATOM 0 HH TYR A 30 11.940 -20.153 1.042 1.00 33.15 H new ATOM 491 N LYS A 31 7.282 -23.715 2.225 1.00 21.53 N ATOM 492 CA LYS A 31 6.789 -22.628 3.063 1.00 33.30 C ATOM 493 C LYS A 31 7.864 -21.566 3.265 1.00 72.40 C ATOM 494 O LYS A 31 9.046 -21.883 3.401 1.00 42.23 O ATOM 495 CB LYS A 31 6.331 -23.170 4.420 1.00 30.01 C ATOM 496 CG LYS A 31 6.108 -22.089 5.462 1.00 12.24 C ATOM 497 CD LYS A 31 5.227 -22.582 6.598 1.00 72.33 C ATOM 498 CE LYS A 31 6.056 -23.123 7.752 1.00 1.42 C ATOM 499 NZ LYS A 31 5.356 -22.970 9.058 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.066 -24.232 2.624 1.00 21.53 H new ATOM 0 HA LYS A 31 5.940 -22.169 2.556 1.00 33.30 H new ATOM 0 HB2 LYS A 31 5.405 -23.729 4.285 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.077 -23.873 4.792 1.00 30.01 H new ATOM 0 HG2 LYS A 31 7.069 -21.763 5.861 1.00 12.24 H new ATOM 0 HG3 LYS A 31 5.646 -21.220 4.993 1.00 12.24 H new ATOM 0 HD2 LYS A 31 4.598 -21.766 6.952 1.00 72.33 H new ATOM 0 HD3 LYS A 31 4.560 -23.362 6.231 1.00 72.33 H new ATOM 0 HE2 LYS A 31 6.275 -24.177 7.579 1.00 1.42 H new ATOM 0 HE3 LYS A 31 7.012 -22.600 7.789 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 5.954 -23.351 9.819 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 5.169 -21.963 9.236 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 4.456 -23.490 9.032 1.00 74.42 H new ATOM 513 N PHE A 32 7.447 -20.305 3.285 1.00 21.34 N ATOM 514 CA PHE A 32 8.375 -19.195 3.471 1.00 31.43 C ATOM 515 C PHE A 32 8.005 -18.377 4.705 1.00 73.13 C ATOM 516 O PHE A 32 6.841 -18.327 5.102 1.00 30.25 O ATOM 517 CB PHE A 32 8.384 -18.297 2.232 1.00 2.44 C ATOM 518 CG PHE A 32 9.735 -18.179 1.588 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.886 -18.172 2.356 1.00 25.20 C ATOM 520 CD2 PHE A 32 9.853 -18.075 0.210 1.00 34.32 C ATOM 521 CE1 PHE A 32 12.132 -18.064 1.765 1.00 15.23 C ATOM 522 CE2 PHE A 32 11.095 -17.967 -0.387 1.00 31.04 C ATOM 523 CZ PHE A 32 12.236 -17.960 0.392 1.00 34.24 C ATOM 0 H PHE A 32 6.472 -20.026 3.175 1.00 21.34 H new ATOM 0 HA PHE A 32 9.373 -19.609 3.618 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.676 -18.690 1.503 1.00 2.44 H new ATOM 0 HB3 PHE A 32 8.035 -17.303 2.511 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.811 -18.252 3.430 1.00 25.20 H new ATOM 0 HD2 PHE A 32 8.964 -18.078 -0.404 1.00 34.32 H new ATOM 0 HE1 PHE A 32 13.022 -18.061 2.377 1.00 15.23 H new ATOM 0 HE2 PHE A 32 11.173 -17.888 -1.461 1.00 31.04 H new ATOM 0 HZ PHE A 32 13.207 -17.873 -0.072 1.00 34.24 H new ATOM 533 N ARG A 33 9.003 -17.739 5.305 1.00 2.52 N ATOM 534 CA ARG A 33 8.784 -16.924 6.494 1.00 14.43 C ATOM 535 C ARG A 33 9.333 -15.514 6.297 1.00 75.14 C ATOM 536 O ARG A 33 10.495 -15.335 5.933 1.00 61.42 O ATOM 537 CB ARG A 33 9.442 -17.573 7.712 1.00 2.14 C ATOM 538 CG ARG A 33 8.501 -17.751 8.891 1.00 20.25 C ATOM 539 CD ARG A 33 9.265 -17.998 10.183 1.00 10.22 C ATOM 540 NE ARG A 33 8.453 -18.698 11.175 1.00 11.44 N ATOM 541 CZ ARG A 33 8.813 -18.850 12.444 1.00 10.32 C ATOM 542 NH1 ARG A 33 9.965 -18.355 12.874 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 8.019 -19.498 13.287 1.00 25.32 N ATOM 0 H ARG A 33 9.972 -17.770 4.988 1.00 2.52 H new ATOM 0 HA ARG A 33 7.709 -16.856 6.663 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.838 -18.547 7.424 1.00 2.14 H new ATOM 0 HB3 ARG A 33 10.290 -16.963 8.024 1.00 2.14 H new ATOM 0 HG2 ARG A 33 7.880 -16.862 8.999 1.00 20.25 H new ATOM 0 HG3 ARG A 33 7.830 -18.588 8.699 1.00 20.25 H new ATOM 0 HD2 ARG A 33 10.159 -18.583 9.969 1.00 10.22 H new ATOM 0 HD3 ARG A 33 9.598 -17.045 10.595 1.00 10.22 H new ATOM 0 HE ARG A 33 7.561 -19.092 10.877 1.00 11.44 H new ATOM 0 HH11 ARG A 33 10.578 -17.856 12.229 1.00 23.32 H new ATOM 0 HH12 ARG A 33 10.239 -18.473 13.849 1.00 23.32 H new ATOM 0 HH21 ARG A 33 7.131 -19.880 12.960 1.00 25.32 H new ATOM 0 HH22 ARG A 33 8.296 -19.614 14.262 1.00 25.32 H new ATOM 557 N ILE A 34 8.488 -14.516 6.538 1.00 62.22 N ATOM 558 CA ILE A 34 8.890 -13.123 6.386 1.00 24.14 C ATOM 559 C ILE A 34 8.850 -12.391 7.724 1.00 22.22 C ATOM 560 O ILE A 34 7.825 -11.827 8.106 1.00 15.22 O ATOM 561 CB ILE A 34 7.987 -12.383 5.382 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.994 -13.102 4.032 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.444 -10.940 5.224 1.00 73.20 C ATOM 564 CD1 ILE A 34 9.382 -13.328 3.474 1.00 0.34 C ATOM 0 H ILE A 34 7.522 -14.646 6.839 1.00 62.22 H new ATOM 0 HA ILE A 34 9.912 -13.129 6.007 1.00 24.14 H new ATOM 0 HB ILE A 34 6.966 -12.380 5.765 1.00 45.40 H new ATOM 0 HG12 ILE A 34 7.493 -14.064 4.140 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.414 -12.519 3.316 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.796 -10.429 4.511 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.392 -10.434 6.188 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.471 -10.921 4.859 1.00 73.20 H new ATOM 0 HD11 ILE A 34 9.310 -13.842 2.516 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.879 -12.368 3.334 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.959 -13.937 4.170 1.00 0.34 H new ATOM 576 N THR A 35 9.975 -12.403 8.433 1.00 73.35 N ATOM 577 CA THR A 35 10.070 -11.741 9.727 1.00 10.14 C ATOM 578 C THR A 35 10.738 -10.376 9.599 1.00 21.43 C ATOM 579 O THR A 35 11.267 -10.032 8.543 1.00 61.13 O ATOM 580 CB THR A 35 10.859 -12.594 10.739 1.00 42.42 C ATOM 581 OG1 THR A 35 12.265 -12.428 10.527 1.00 61.24 O ATOM 582 CG2 THR A 35 10.490 -14.063 10.611 1.00 21.42 C ATOM 0 H THR A 35 10.833 -12.865 8.132 1.00 73.35 H new ATOM 0 HA THR A 35 9.051 -11.611 10.090 1.00 10.14 H new ATOM 0 HB THR A 35 10.602 -12.258 11.744 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.760 -12.972 11.175 1.00 61.24 H new ATOM 0 HG21 THR A 35 11.059 -14.646 11.335 1.00 21.42 H new ATOM 0 HG22 THR A 35 9.424 -14.188 10.802 1.00 21.42 H new ATOM 0 HG23 THR A 35 10.721 -14.410 9.604 1.00 21.42 H new ATOM 643 N VAL A 40 8.413 -13.066 13.446 1.00 13.33 N ATOM 644 CA VAL A 40 7.698 -13.170 12.180 1.00 41.44 C ATOM 645 C VAL A 40 6.479 -12.254 12.159 1.00 63.31 C ATOM 646 O VAL A 40 5.889 -11.963 13.201 1.00 63.13 O ATOM 647 CB VAL A 40 7.243 -14.617 11.910 1.00 45.24 C ATOM 648 CG1 VAL A 40 6.200 -15.048 12.929 1.00 55.31 C ATOM 649 CG2 VAL A 40 6.705 -14.750 10.493 1.00 51.40 C ATOM 0 HA VAL A 40 8.393 -12.863 11.398 1.00 41.44 H new ATOM 0 HB VAL A 40 8.106 -15.276 12.010 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.891 -16.073 12.722 1.00 55.31 H new ATOM 0 HG12 VAL A 40 6.626 -14.993 13.931 1.00 55.31 H new ATOM 0 HG13 VAL A 40 5.335 -14.388 12.865 1.00 55.31 H new ATOM 0 HG21 VAL A 40 6.388 -15.778 10.319 1.00 51.40 H new ATOM 0 HG22 VAL A 40 5.854 -14.081 10.363 1.00 51.40 H new ATOM 0 HG23 VAL A 40 7.487 -14.486 9.781 1.00 51.40 H new ATOM 659 N VAL A 41 6.107 -11.801 10.966 1.00 34.35 N ATOM 660 CA VAL A 41 4.956 -10.919 10.809 1.00 44.34 C ATOM 661 C VAL A 41 3.953 -11.496 9.817 1.00 12.15 C ATOM 662 O VAL A 41 2.791 -11.089 9.784 1.00 4.11 O ATOM 663 CB VAL A 41 5.384 -9.519 10.333 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.976 -8.720 11.485 1.00 40.14 C ATOM 665 CG2 VAL A 41 6.376 -9.626 9.184 1.00 22.42 C ATOM 0 H VAL A 41 6.585 -12.030 10.095 1.00 34.35 H new ATOM 0 HA VAL A 41 4.486 -10.834 11.789 1.00 44.34 H new ATOM 0 HB VAL A 41 4.500 -8.992 9.973 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.273 -7.733 11.129 1.00 40.14 H new ATOM 0 HG12 VAL A 41 5.231 -8.612 12.274 1.00 40.14 H new ATOM 0 HG13 VAL A 41 6.849 -9.241 11.879 1.00 40.14 H new ATOM 0 HG21 VAL A 41 6.667 -8.627 8.861 1.00 22.42 H new ATOM 0 HG22 VAL A 41 7.259 -10.172 9.516 1.00 22.42 H new ATOM 0 HG23 VAL A 41 5.913 -10.156 8.352 1.00 22.42 H new ATOM 675 N LYS A 42 4.407 -12.449 9.011 1.00 42.43 N ATOM 676 CA LYS A 42 3.550 -13.085 8.017 1.00 33.55 C ATOM 677 C LYS A 42 4.259 -14.266 7.363 1.00 43.41 C ATOM 678 O LYS A 42 5.467 -14.228 7.135 1.00 1.03 O ATOM 679 CB LYS A 42 3.132 -12.072 6.950 1.00 52.12 C ATOM 680 CG LYS A 42 1.627 -11.898 6.831 1.00 64.32 C ATOM 681 CD LYS A 42 1.207 -10.465 7.110 1.00 52.31 C ATOM 682 CE LYS A 42 0.395 -10.361 8.391 1.00 23.22 C ATOM 683 NZ LYS A 42 -1.032 -10.035 8.118 1.00 13.02 N1+ ATOM 0 H LYS A 42 5.365 -12.799 9.026 1.00 42.43 H new ATOM 0 HA LYS A 42 2.660 -13.455 8.525 1.00 33.55 H new ATOM 0 HB2 LYS A 42 3.584 -11.107 7.181 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.530 -12.388 5.986 1.00 52.12 H new ATOM 0 HG2 LYS A 42 1.305 -12.184 5.830 1.00 64.32 H new ATOM 0 HG3 LYS A 42 1.126 -12.567 7.530 1.00 64.32 H new ATOM 0 HD2 LYS A 42 2.092 -9.834 7.187 1.00 52.31 H new ATOM 0 HD3 LYS A 42 0.619 -10.088 6.274 1.00 52.31 H new ATOM 0 HE2 LYS A 42 0.454 -11.303 8.936 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.827 -9.593 9.033 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.552 -9.973 9.017 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -1.091 -9.124 7.620 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.451 -10.780 7.526 1.00 13.02 H new ATOM 697 N ASN A 43 3.499 -15.313 7.060 1.00 34.54 N ATOM 698 CA ASN A 43 4.055 -16.505 6.431 1.00 55.25 C ATOM 699 C ASN A 43 3.721 -16.541 4.943 1.00 40.53 C ATOM 700 O ASN A 43 2.751 -15.924 4.499 1.00 31.40 O ATOM 701 CB ASN A 43 3.522 -17.766 7.115 1.00 53.41 C ATOM 702 CG ASN A 43 3.262 -17.555 8.594 1.00 44.33 C ATOM 703 OD1 ASN A 43 4.270 -17.825 9.415 1.00 24.42 O flip ATOM 704 ND2 ASN A 43 2.168 -17.153 8.992 1.00 72.11 N flip ATOM 0 H ASN A 43 2.496 -15.360 7.240 1.00 34.54 H new ATOM 0 HA ASN A 43 5.139 -16.471 6.542 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.598 -18.078 6.627 1.00 53.41 H new ATOM 0 HB3 ASN A 43 4.239 -18.576 6.987 1.00 53.41 H new ATOM 0 HD21 ASN A 43 1.422 -16.958 8.324 1.00 72.11 H new ATOM 0 HD22 ASN A 43 2.008 -17.015 9.990 1.00 72.11 H new ATOM 711 N TRP A 44 4.529 -17.264 4.177 1.00 22.12 N ATOM 712 CA TRP A 44 4.319 -17.380 2.738 1.00 23.21 C ATOM 713 C TRP A 44 4.317 -18.842 2.305 1.00 15.33 C ATOM 714 O TRP A 44 4.824 -19.711 3.014 1.00 44.21 O ATOM 715 CB TRP A 44 5.402 -16.612 1.980 1.00 45.14 C ATOM 716 CG TRP A 44 4.904 -15.343 1.356 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.527 -15.163 0.056 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.732 -14.079 2.005 1.00 22.02 C ATOM 719 NE1 TRP A 44 4.131 -13.863 -0.142 1.00 52.22 N ATOM 720 CE2 TRP A 44 4.245 -13.178 1.038 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.938 -13.622 3.310 1.00 55.22 C ATOM 722 CZ2 TRP A 44 3.965 -11.846 1.336 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.659 -12.300 3.603 1.00 62.30 C ATOM 724 CH2 TRP A 44 4.177 -11.426 2.621 1.00 1.02 C ATOM 0 H TRP A 44 5.336 -17.779 4.528 1.00 22.12 H new ATOM 0 HA TRP A 44 3.346 -16.949 2.502 1.00 23.21 H new ATOM 0 HB2 TRP A 44 6.217 -16.376 2.665 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.815 -17.254 1.202 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.539 -15.930 -0.704 1.00 73.33 H new ATOM 0 HE1 TRP A 44 3.805 -13.471 -1.025 1.00 52.22 H new ATOM 0 HE3 TRP A 44 5.308 -14.289 4.075 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 3.594 -11.170 0.580 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.816 -11.935 4.607 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.968 -10.399 2.883 1.00 1.02 H new ATOM 735 N VAL A 45 3.743 -19.108 1.135 1.00 5.25 N ATOM 736 CA VAL A 45 3.677 -20.464 0.607 1.00 60.54 C ATOM 737 C VAL A 45 4.100 -20.506 -0.858 1.00 5.42 C ATOM 738 O VAL A 45 3.806 -19.589 -1.625 1.00 33.13 O ATOM 739 CB VAL A 45 2.258 -21.049 0.736 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.107 -22.285 -0.137 1.00 0.31 C ATOM 741 CG2 VAL A 45 1.946 -21.370 2.189 1.00 33.43 C ATOM 0 H VAL A 45 3.317 -18.401 0.536 1.00 5.25 H new ATOM 0 HA VAL A 45 4.366 -21.067 1.199 1.00 60.54 H new ATOM 0 HB VAL A 45 1.543 -20.302 0.391 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.098 -22.684 -0.032 1.00 0.31 H new ATOM 0 HG12 VAL A 45 2.285 -22.019 -1.179 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.829 -23.040 0.173 1.00 0.31 H new ATOM 0 HG21 VAL A 45 0.940 -21.782 2.263 1.00 33.43 H new ATOM 0 HG22 VAL A 45 2.665 -22.099 2.563 1.00 33.43 H new ATOM 0 HG23 VAL A 45 2.009 -20.459 2.785 1.00 33.43 H new ATOM 751 N MET A 46 4.792 -21.574 -1.238 1.00 62.23 N ATOM 752 CA MET A 46 5.255 -21.735 -2.612 1.00 35.14 C ATOM 753 C MET A 46 4.478 -22.840 -3.321 1.00 72.04 C ATOM 754 O MET A 46 4.709 -24.026 -3.082 1.00 51.41 O ATOM 755 CB MET A 46 6.751 -22.052 -2.635 1.00 33.01 C ATOM 756 CG MET A 46 7.562 -21.092 -3.490 1.00 43.13 C ATOM 757 SD MET A 46 8.341 -19.787 -2.520 1.00 65.24 S ATOM 758 CE MET A 46 10.052 -20.316 -2.554 1.00 25.52 C ATOM 0 H MET A 46 5.045 -22.341 -0.615 1.00 62.23 H new ATOM 0 HA MET A 46 5.082 -20.797 -3.140 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.135 -22.030 -1.615 1.00 33.01 H new ATOM 0 HB3 MET A 46 6.894 -23.066 -3.007 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.331 -21.649 -4.026 1.00 43.13 H new ATOM 0 HG3 MET A 46 6.912 -20.643 -4.241 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.552 -19.990 -1.642 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.095 -21.403 -2.623 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.551 -19.877 -3.418 1.00 25.52 H new ATOM 768 N ASP A 47 3.557 -22.444 -4.192 1.00 71.12 N ATOM 769 CA ASP A 47 2.747 -23.400 -4.937 1.00 32.40 C ATOM 770 C ASP A 47 3.512 -23.941 -6.140 1.00 53.15 C ATOM 771 O ASP A 47 3.372 -23.437 -7.256 1.00 2.25 O ATOM 772 CB ASP A 47 1.443 -22.749 -5.397 1.00 13.44 C ATOM 773 CG ASP A 47 0.287 -23.729 -5.435 1.00 55.42 C ATOM 774 OD1 ASP A 47 0.520 -24.907 -5.777 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.852 -23.317 -5.126 1.00 72.40 O ATOM 0 H ASP A 47 3.353 -21.467 -4.400 1.00 71.12 H new ATOM 0 HA ASP A 47 2.513 -24.233 -4.274 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.195 -21.926 -4.727 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.585 -22.321 -6.389 1.00 13.44 H new ATOM 780 N LEU A 48 4.322 -24.968 -5.909 1.00 3.45 N ATOM 781 CA LEU A 48 5.112 -25.576 -6.974 1.00 34.13 C ATOM 782 C LEU A 48 4.252 -26.503 -7.826 1.00 74.54 C ATOM 783 O LEU A 48 4.638 -26.885 -8.931 1.00 65.54 O ATOM 784 CB LEU A 48 6.289 -26.354 -6.382 1.00 41.41 C ATOM 785 CG LEU A 48 7.526 -25.529 -6.024 1.00 71.10 C ATOM 786 CD1 LEU A 48 8.574 -26.403 -5.354 1.00 72.14 C ATOM 787 CD2 LEU A 48 8.099 -24.861 -7.266 1.00 24.33 C ATOM 0 H LEU A 48 4.449 -25.398 -4.993 1.00 3.45 H new ATOM 0 HA LEU A 48 5.495 -24.778 -7.610 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.945 -26.866 -5.483 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.584 -27.125 -7.094 1.00 41.41 H new ATOM 0 HG LEU A 48 7.230 -24.750 -5.321 1.00 71.10 H new ATOM 0 HD11 LEU A 48 9.447 -25.799 -5.106 1.00 72.14 H new ATOM 0 HD12 LEU A 48 8.160 -26.833 -4.442 1.00 72.14 H new ATOM 0 HD13 LEU A 48 8.867 -27.204 -6.032 1.00 72.14 H new ATOM 0 HD21 LEU A 48 8.979 -24.278 -6.993 1.00 24.33 H new ATOM 0 HD22 LEU A 48 8.380 -25.624 -7.992 1.00 24.33 H new ATOM 0 HD23 LEU A 48 7.349 -24.202 -7.704 1.00 24.33 H new ATOM 799 N LYS A 49 3.082 -26.862 -7.307 1.00 53.41 N ATOM 800 CA LYS A 49 2.164 -27.741 -8.022 1.00 44.45 C ATOM 801 C LYS A 49 1.436 -26.985 -9.128 1.00 13.33 C ATOM 802 O LYS A 49 1.331 -27.465 -10.256 1.00 1.23 O ATOM 803 CB LYS A 49 1.149 -28.350 -7.051 1.00 43.22 C ATOM 804 CG LYS A 49 0.605 -29.693 -7.504 1.00 30.32 C ATOM 805 CD LYS A 49 -0.346 -30.285 -6.477 1.00 53.45 C ATOM 806 CE LYS A 49 -1.306 -31.278 -7.114 1.00 64.21 C ATOM 807 NZ LYS A 49 -1.120 -32.653 -6.573 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.747 -26.557 -6.393 1.00 53.41 H new ATOM 0 HA LYS A 49 2.747 -28.541 -8.478 1.00 44.45 H new ATOM 0 HB2 LYS A 49 1.619 -28.468 -6.074 1.00 43.22 H new ATOM 0 HB3 LYS A 49 0.319 -27.655 -6.923 1.00 43.22 H new ATOM 0 HG2 LYS A 49 0.086 -29.574 -8.455 1.00 30.32 H new ATOM 0 HG3 LYS A 49 1.432 -30.382 -7.675 1.00 30.32 H new ATOM 0 HD2 LYS A 49 0.226 -30.782 -5.694 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -0.912 -29.485 -6.000 1.00 53.45 H new ATOM 0 HE2 LYS A 49 -2.332 -30.955 -6.939 1.00 64.21 H new ATOM 0 HE3 LYS A 49 -1.154 -31.289 -8.193 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 -1.792 -33.300 -7.032 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 -0.148 -32.972 -6.762 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 -1.289 -32.648 -5.547 1.00 62.40 H new ATOM 821 N ASN A 50 0.935 -25.799 -8.798 1.00 2.35 N ATOM 822 CA ASN A 50 0.217 -24.976 -9.764 1.00 41.40 C ATOM 823 C ASN A 50 1.160 -23.985 -10.441 1.00 40.41 C ATOM 824 O ASN A 50 0.761 -23.253 -11.347 1.00 2.41 O ATOM 825 CB ASN A 50 -0.923 -24.223 -9.076 1.00 14.33 C ATOM 826 CG ASN A 50 -2.288 -24.656 -9.578 1.00 4.31 C ATOM 827 OD1 ASN A 50 -3.119 -23.825 -9.944 1.00 4.24 O ATOM 828 ND2 ASN A 50 -2.523 -25.963 -9.598 1.00 4.23 N ATOM 0 H ASN A 50 1.013 -25.386 -7.868 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.199 -25.634 -10.527 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -0.866 -24.387 -8.000 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.800 -23.153 -9.242 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -3.422 -26.314 -9.926 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -1.804 -26.615 -9.285 1.00 4.23 H new ATOM 835 N VAL A 51 2.412 -23.969 -9.996 1.00 64.11 N ATOM 836 CA VAL A 51 3.413 -23.070 -10.559 1.00 54.52 C ATOM 837 C VAL A 51 3.095 -21.617 -10.226 1.00 42.10 C ATOM 838 O VAL A 51 3.114 -20.749 -11.099 1.00 10.33 O ATOM 839 CB VAL A 51 3.508 -23.224 -12.089 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.793 -22.601 -12.610 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.420 -24.692 -12.482 1.00 50.43 C ATOM 0 H VAL A 51 2.758 -24.569 -9.247 1.00 64.11 H new ATOM 0 HA VAL A 51 4.370 -23.342 -10.113 1.00 54.52 H new ATOM 0 HB VAL A 51 2.668 -22.698 -12.543 1.00 71.44 H new ATOM 0 HG11 VAL A 51 4.842 -22.720 -13.692 1.00 71.12 H new ATOM 0 HG12 VAL A 51 4.810 -21.540 -12.360 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.649 -23.096 -12.152 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.489 -24.783 -13.566 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.239 -25.242 -12.019 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.469 -25.103 -12.143 1.00 50.43 H new ATOM 851 N LYS A 52 2.805 -21.357 -8.955 1.00 54.43 N ATOM 852 CA LYS A 52 2.486 -20.007 -8.504 1.00 32.42 C ATOM 853 C LYS A 52 2.942 -19.794 -7.064 1.00 50.21 C ATOM 854 O LYS A 52 3.232 -20.751 -6.345 1.00 11.15 O ATOM 855 CB LYS A 52 0.981 -19.753 -8.616 1.00 21.22 C ATOM 856 CG LYS A 52 0.633 -18.335 -9.035 1.00 10.13 C ATOM 857 CD LYS A 52 0.177 -18.277 -10.483 1.00 32.21 C ATOM 858 CE LYS A 52 -0.657 -17.035 -10.755 1.00 73.31 C ATOM 859 NZ LYS A 52 -0.809 -16.778 -12.214 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.784 -22.063 -8.219 1.00 54.43 H new ATOM 0 HA LYS A 52 3.016 -19.301 -9.143 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.556 -20.451 -9.338 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.513 -19.964 -7.655 1.00 21.22 H new ATOM 0 HG2 LYS A 52 -0.154 -17.947 -8.389 1.00 10.13 H new ATOM 0 HG3 LYS A 52 1.502 -17.691 -8.900 1.00 10.13 H new ATOM 0 HD2 LYS A 52 1.047 -18.284 -11.140 1.00 32.21 H new ATOM 0 HD3 LYS A 52 -0.407 -19.167 -10.718 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -1.642 -17.152 -10.302 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -0.189 -16.172 -10.281 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -1.384 -15.923 -12.358 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 0.129 -16.641 -12.642 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 -1.279 -17.590 -12.663 1.00 35.03 H new ATOM 873 N LEU A 53 3.002 -18.533 -6.648 1.00 61.23 N ATOM 874 CA LEU A 53 3.422 -18.194 -5.294 1.00 12.34 C ATOM 875 C LEU A 53 2.328 -17.422 -4.562 1.00 64.35 C ATOM 876 O LEU A 53 1.780 -16.452 -5.087 1.00 64.45 O ATOM 877 CB LEU A 53 4.709 -17.367 -5.329 1.00 22.14 C ATOM 878 CG LEU A 53 5.989 -18.101 -4.929 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.500 -18.951 -6.081 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.054 -17.110 -4.481 1.00 42.33 C ATOM 0 H LEU A 53 2.765 -17.729 -7.230 1.00 61.23 H new ATOM 0 HA LEU A 53 3.609 -19.123 -4.755 1.00 12.34 H new ATOM 0 HB2 LEU A 53 4.838 -16.976 -6.338 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.584 -16.509 -4.668 1.00 22.14 H new ATOM 0 HG LEU A 53 5.760 -18.761 -4.092 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.412 -19.466 -5.777 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.743 -19.686 -6.355 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.713 -18.312 -6.938 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.958 -17.650 -4.200 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.280 -16.425 -5.298 1.00 42.33 H new ATOM 0 HD23 LEU A 53 6.688 -16.545 -3.624 1.00 42.33 H new ATOM 892 N VAL A 54 2.016 -17.858 -3.346 1.00 5.45 N ATOM 893 CA VAL A 54 0.990 -17.206 -2.539 1.00 41.23 C ATOM 894 C VAL A 54 1.456 -17.023 -1.100 1.00 45.12 C ATOM 895 O VAL A 54 2.504 -17.535 -0.707 1.00 72.40 O ATOM 896 CB VAL A 54 -0.322 -18.012 -2.543 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.732 -18.358 -3.967 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.177 -19.270 -1.701 1.00 11.01 C ATOM 0 H VAL A 54 2.459 -18.660 -2.897 1.00 5.45 H new ATOM 0 HA VAL A 54 0.810 -16.228 -2.986 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.107 -17.397 -2.103 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.661 -18.928 -3.950 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -0.879 -17.440 -4.536 1.00 71.10 H new ATOM 0 HG13 VAL A 54 0.050 -18.954 -4.436 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.114 -19.827 -1.715 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.621 -19.891 -2.109 1.00 11.01 H new ATOM 0 HG23 VAL A 54 0.066 -18.995 -0.675 1.00 11.01 H new ATOM 908 N GLU A 55 0.672 -16.288 -0.319 1.00 21.23 N ATOM 909 CA GLU A 55 1.006 -16.036 1.079 1.00 34.21 C ATOM 910 C GLU A 55 0.080 -16.817 2.008 1.00 31.12 C ATOM 911 O GLU A 55 -1.123 -16.562 2.061 1.00 24.40 O ATOM 912 CB GLU A 55 0.912 -14.540 1.387 1.00 60.31 C ATOM 913 CG GLU A 55 -0.343 -13.883 0.838 1.00 21.34 C ATOM 914 CD GLU A 55 -0.197 -13.466 -0.612 1.00 40.15 C ATOM 915 OE1 GLU A 55 0.854 -12.886 -0.959 1.00 15.53 O ATOM 916 OE2 GLU A 55 -1.131 -13.721 -1.400 1.00 73.52 O1- ATOM 0 H GLU A 55 -0.199 -15.856 -0.629 1.00 21.23 H new ATOM 0 HA GLU A 55 2.029 -16.371 1.248 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.944 -14.397 2.467 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.786 -14.037 0.973 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.181 -14.574 0.931 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -0.584 -13.008 1.441 1.00 21.34 H new ATOM 923 N SER A 56 0.651 -17.769 2.738 1.00 73.41 N ATOM 924 CA SER A 56 -0.123 -18.592 3.662 1.00 43.24 C ATOM 925 C SER A 56 0.799 -19.385 4.584 1.00 1.33 C ATOM 926 O SER A 56 2.004 -19.475 4.349 1.00 11.10 O ATOM 927 CB SER A 56 -1.035 -19.546 2.889 1.00 44.34 C ATOM 928 OG SER A 56 -2.365 -19.061 2.850 1.00 12.25 O ATOM 0 H SER A 56 1.646 -17.990 2.708 1.00 73.41 H new ATOM 0 HA SER A 56 -0.738 -17.930 4.272 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.660 -19.669 1.873 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.017 -20.530 3.357 1.00 44.34 H new ATOM 0 HG SER A 56 -2.361 -18.117 2.588 1.00 12.25 H new ATOM 934 N ASP A 57 0.222 -19.958 5.634 1.00 31.32 N ATOM 935 CA ASP A 57 0.989 -20.746 6.593 1.00 71.22 C ATOM 936 C ASP A 57 0.395 -22.143 6.748 1.00 51.13 C ATOM 937 O ASP A 57 -0.746 -22.298 7.181 1.00 50.20 O ATOM 938 CB ASP A 57 1.027 -20.041 7.949 1.00 63.23 C ATOM 939 CG ASP A 57 -0.006 -18.938 8.057 1.00 3.54 C ATOM 940 OD1 ASP A 57 0.191 -17.876 7.429 1.00 34.13 O ATOM 941 OD2 ASP A 57 -1.012 -19.135 8.771 1.00 2.01 O1- ATOM 0 H ASP A 57 -0.774 -19.892 5.843 1.00 31.32 H new ATOM 0 HA ASP A 57 2.006 -20.844 6.214 1.00 71.22 H new ATOM 0 HB2 ASP A 57 0.858 -20.772 8.740 1.00 63.23 H new ATOM 0 HB3 ASP A 57 2.020 -19.622 8.109 1.00 63.23 H new ATOM 946 N ASP A 58 1.176 -23.155 6.389 1.00 42.15 N ATOM 947 CA ASP A 58 0.729 -24.539 6.488 1.00 13.22 C ATOM 948 C ASP A 58 1.913 -25.483 6.669 1.00 50.02 C ATOM 949 O ASP A 58 3.061 -25.106 6.434 1.00 32.03 O ATOM 950 CB ASP A 58 -0.065 -24.931 5.240 1.00 32.33 C ATOM 951 CG ASP A 58 -0.863 -23.773 4.674 1.00 34.24 C ATOM 952 OD1 ASP A 58 -2.010 -23.566 5.124 1.00 62.33 O ATOM 953 OD2 ASP A 58 -0.341 -23.074 3.781 1.00 21.22 O1- ATOM 0 H ASP A 58 2.123 -23.043 6.026 1.00 42.15 H new ATOM 0 HA ASP A 58 0.084 -24.624 7.363 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.621 -25.302 4.478 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.742 -25.749 5.486 1.00 32.33 H new ATOM 958 N ALA A 59 1.627 -26.711 7.091 1.00 54.42 N ATOM 959 CA ALA A 59 2.668 -27.708 7.303 1.00 64.04 C ATOM 960 C ALA A 59 3.378 -28.047 5.996 1.00 23.53 C ATOM 961 O ALA A 59 2.954 -28.940 5.263 1.00 64.14 O ATOM 962 CB ALA A 59 2.077 -28.963 7.926 1.00 20.01 C ATOM 0 H ALA A 59 0.682 -27.038 7.293 1.00 54.42 H new ATOM 0 HA ALA A 59 3.405 -27.288 7.988 1.00 64.04 H new ATOM 0 HB1 ALA A 59 2.866 -29.699 8.079 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.622 -28.714 8.885 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.318 -29.377 7.261 1.00 20.01 H new ATOM 968 N ALA A 60 4.458 -27.328 5.711 1.00 25.42 N ATOM 969 CA ALA A 60 5.227 -27.554 4.494 1.00 52.24 C ATOM 970 C ALA A 60 6.396 -28.500 4.750 1.00 52.10 C ATOM 971 O ALA A 60 6.940 -28.543 5.853 1.00 32.51 O ATOM 972 CB ALA A 60 5.729 -26.232 3.933 1.00 60.25 C ATOM 0 H ALA A 60 4.820 -26.584 6.307 1.00 25.42 H new ATOM 0 HA ALA A 60 4.570 -28.021 3.761 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.302 -26.416 3.024 1.00 60.25 H new ATOM 0 HB2 ALA A 60 4.880 -25.589 3.703 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.366 -25.742 4.670 1.00 60.25 H new ATOM 978 N GLU A 61 6.777 -29.255 3.724 1.00 12.15 N ATOM 979 CA GLU A 61 7.880 -30.200 3.841 1.00 60.24 C ATOM 980 C GLU A 61 9.194 -29.472 4.112 1.00 60.45 C ATOM 981 O GLU A 61 10.145 -30.057 4.630 1.00 34.32 O ATOM 982 CB GLU A 61 8.002 -31.037 2.565 1.00 40.01 C ATOM 983 CG GLU A 61 8.343 -32.494 2.824 1.00 60.43 C ATOM 984 CD GLU A 61 9.673 -32.897 2.218 1.00 63.55 C ATOM 985 OE1 GLU A 61 9.773 -32.936 0.973 1.00 4.32 O1- ATOM 986 OE2 GLU A 61 10.616 -33.176 2.988 1.00 10.35 O ATOM 0 H GLU A 61 6.338 -29.230 2.804 1.00 12.15 H new ATOM 0 HA GLU A 61 7.670 -30.861 4.682 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.062 -30.985 2.015 1.00 40.01 H new ATOM 0 HB3 GLU A 61 8.770 -30.601 1.926 1.00 40.01 H new ATOM 0 HG2 GLU A 61 8.369 -32.672 3.899 1.00 60.43 H new ATOM 0 HG3 GLU A 61 7.555 -33.126 2.415 1.00 60.43 H new ATOM 993 N ALA A 62 9.239 -28.193 3.755 1.00 4.02 N ATOM 994 CA ALA A 62 10.434 -27.384 3.961 1.00 60.23 C ATOM 995 C ALA A 62 10.074 -25.990 4.460 1.00 52.32 C ATOM 996 O ALA A 62 9.302 -25.271 3.825 1.00 12.21 O ATOM 997 CB ALA A 62 11.239 -27.295 2.672 1.00 14.02 C ATOM 0 H ALA A 62 8.462 -27.695 3.322 1.00 4.02 H new ATOM 0 HA ALA A 62 11.043 -27.868 4.725 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.129 -26.688 2.840 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.536 -28.296 2.359 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.629 -26.837 1.893 1.00 14.02 H new ATOM 1003 N THR A 63 10.638 -25.611 5.603 1.00 64.23 N ATOM 1004 CA THR A 63 10.375 -24.303 6.189 1.00 11.41 C ATOM 1005 C THR A 63 11.609 -23.409 6.117 1.00 73.24 C ATOM 1006 O THR A 63 12.677 -23.768 6.614 1.00 53.04 O ATOM 1007 CB THR A 63 9.929 -24.424 7.657 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.687 -25.133 7.735 1.00 62.11 O ATOM 1009 CG2 THR A 63 9.773 -23.050 8.292 1.00 45.10 C ATOM 0 H THR A 63 11.280 -26.192 6.141 1.00 64.23 H new ATOM 0 HA THR A 63 9.569 -23.854 5.608 1.00 11.41 H new ATOM 0 HB THR A 63 10.697 -24.974 8.201 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.411 -25.207 8.672 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.457 -23.162 9.329 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.727 -22.523 8.258 1.00 45.10 H new ATOM 0 HG23 THR A 63 9.023 -22.479 7.744 1.00 45.10 H new ATOM 1017 N LEU A 64 11.455 -22.245 5.496 1.00 31.21 N ATOM 1018 CA LEU A 64 12.557 -21.299 5.359 1.00 23.22 C ATOM 1019 C LEU A 64 12.241 -19.988 6.071 1.00 10.31 C ATOM 1020 O LEU A 64 11.245 -19.330 5.770 1.00 34.35 O ATOM 1021 CB LEU A 64 12.848 -21.034 3.882 1.00 42.20 C ATOM 1022 CG LEU A 64 14.091 -21.715 3.308 1.00 33.54 C ATOM 1023 CD1 LEU A 64 13.713 -23.011 2.606 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.819 -20.781 2.353 1.00 33.52 C ATOM 0 H LEU A 64 10.578 -21.933 5.079 1.00 31.21 H new ATOM 0 HA LEU A 64 13.440 -21.739 5.823 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.983 -21.352 3.300 1.00 42.20 H new ATOM 0 HB3 LEU A 64 12.950 -19.958 3.740 1.00 42.20 H new ATOM 0 HG LEU A 64 14.764 -21.955 4.132 1.00 33.54 H new ATOM 0 HD11 LEU A 64 14.610 -23.482 2.204 1.00 24.14 H new ATOM 0 HD12 LEU A 64 13.237 -23.685 3.318 1.00 24.14 H new ATOM 0 HD13 LEU A 64 13.020 -22.795 1.792 1.00 24.14 H new ATOM 0 HD21 LEU A 64 15.701 -21.283 1.955 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.155 -20.509 1.533 1.00 33.52 H new ATOM 0 HD23 LEU A 64 15.124 -19.881 2.886 1.00 33.52 H new ATOM 1036 N THR A 65 13.097 -19.611 7.017 1.00 71.33 N ATOM 1037 CA THR A 65 12.910 -18.378 7.770 1.00 73.12 C ATOM 1038 C THR A 65 13.901 -17.308 7.327 1.00 14.11 C ATOM 1039 O THR A 65 15.109 -17.534 7.315 1.00 44.01 O ATOM 1040 CB THR A 65 13.070 -18.615 9.284 1.00 74.44 C ATOM 1041 OG1 THR A 65 12.406 -19.826 9.663 1.00 70.01 O ATOM 1042 CG2 THR A 65 12.501 -17.449 10.077 1.00 42.34 C ATOM 0 H THR A 65 13.927 -20.143 7.279 1.00 71.33 H new ATOM 0 HA THR A 65 11.895 -18.035 7.569 1.00 73.12 H new ATOM 0 HB THR A 65 14.134 -18.700 9.506 1.00 74.44 H new ATOM 0 HG1 THR A 65 13.048 -20.566 9.658 1.00 70.01 H new ATOM 0 HG21 THR A 65 12.625 -17.639 11.143 1.00 42.34 H new ATOM 0 HG22 THR A 65 13.028 -16.534 9.808 1.00 42.34 H new ATOM 0 HG23 THR A 65 11.441 -17.337 9.850 1.00 42.34 H new ATOM 1050 N MET A 66 13.379 -16.140 6.964 1.00 44.23 N ATOM 1051 CA MET A 66 14.220 -15.033 6.522 1.00 35.33 C ATOM 1052 C MET A 66 13.518 -13.696 6.743 1.00 74.32 C ATOM 1053 O MET A 66 12.300 -13.595 6.604 1.00 1.23 O ATOM 1054 CB MET A 66 14.578 -15.195 5.044 1.00 73.33 C ATOM 1055 CG MET A 66 15.735 -16.151 4.800 1.00 31.14 C ATOM 1056 SD MET A 66 15.203 -17.722 4.095 1.00 74.11 S ATOM 1057 CE MET A 66 15.791 -17.554 2.412 1.00 64.32 C ATOM 0 H MET A 66 12.380 -15.936 6.967 1.00 44.23 H new ATOM 0 HA MET A 66 15.135 -15.046 7.114 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.702 -15.553 4.503 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.831 -14.219 4.631 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.454 -15.681 4.129 1.00 31.14 H new ATOM 0 HG3 MET A 66 16.252 -16.337 5.741 1.00 31.14 H new ATOM 0 HE1 MET A 66 15.149 -18.128 1.743 1.00 64.32 H new ATOM 0 HE2 MET A 66 15.770 -16.503 2.122 1.00 64.32 H new ATOM 0 HE3 MET A 66 16.812 -17.928 2.344 1.00 64.32 H new ATOM 1067 N GLU A 67 14.296 -12.674 7.088 1.00 74.44 N ATOM 1068 CA GLU A 67 13.747 -11.345 7.328 1.00 65.21 C ATOM 1069 C GLU A 67 13.470 -10.624 6.012 1.00 21.25 C ATOM 1070 O GLU A 67 14.015 -10.983 4.969 1.00 71.54 O ATOM 1071 CB GLU A 67 14.711 -10.519 8.183 1.00 61.44 C ATOM 1072 CG GLU A 67 14.940 -11.094 9.570 1.00 20.41 C ATOM 1073 CD GLU A 67 16.172 -10.520 10.244 1.00 50.14 C ATOM 1074 OE1 GLU A 67 16.555 -9.379 9.906 1.00 70.53 O ATOM 1075 OE2 GLU A 67 16.754 -11.210 11.106 1.00 14.41 O1- ATOM 0 H GLU A 67 15.307 -12.741 7.207 1.00 74.44 H new ATOM 0 HA GLU A 67 12.804 -11.460 7.863 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.668 -10.445 7.667 1.00 61.44 H new ATOM 0 HB3 GLU A 67 14.321 -9.506 8.279 1.00 61.44 H new ATOM 0 HG2 GLU A 67 14.066 -10.896 10.190 1.00 20.41 H new ATOM 0 HG3 GLU A 67 15.041 -12.177 9.498 1.00 20.41 H new ATOM 1082 N ASP A 68 12.620 -9.606 6.070 1.00 21.12 N ATOM 1083 CA ASP A 68 12.270 -8.833 4.884 1.00 71.10 C ATOM 1084 C ASP A 68 13.521 -8.421 4.115 1.00 24.42 C ATOM 1085 O ASP A 68 13.682 -8.761 2.944 1.00 74.24 O ATOM 1086 CB ASP A 68 11.465 -7.592 5.276 1.00 64.02 C ATOM 1087 CG ASP A 68 10.213 -7.426 4.439 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.274 -8.230 4.612 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 10.172 -6.492 3.611 1.00 12.13 O ATOM 0 H ASP A 68 12.160 -9.296 6.926 1.00 21.12 H new ATOM 0 HA ASP A 68 11.659 -9.463 4.238 1.00 71.10 H new ATOM 0 HB2 ASP A 68 11.189 -7.659 6.328 1.00 64.02 H new ATOM 0 HB3 ASP A 68 12.091 -6.707 5.167 1.00 64.02 H new ATOM 1094 N ASP A 69 14.404 -7.687 4.783 1.00 45.41 N ATOM 1095 CA ASP A 69 15.643 -7.229 4.163 1.00 14.54 C ATOM 1096 C ASP A 69 16.381 -8.388 3.502 1.00 22.43 C ATOM 1097 O ASP A 69 17.027 -8.217 2.468 1.00 53.21 O ATOM 1098 CB ASP A 69 16.542 -6.561 5.203 1.00 1.15 C ATOM 1099 CG ASP A 69 17.533 -7.530 5.821 1.00 54.42 C ATOM 1100 OD1 ASP A 69 18.635 -7.691 5.256 1.00 74.02 O ATOM 1101 OD2 ASP A 69 17.205 -8.124 6.868 1.00 30.41 O1- ATOM 0 H ASP A 69 14.285 -7.396 5.753 1.00 45.41 H new ATOM 0 HA ASP A 69 15.388 -6.500 3.394 1.00 14.54 H new ATOM 0 HB2 ASP A 69 17.085 -5.740 4.736 1.00 1.15 H new ATOM 0 HB3 ASP A 69 15.923 -6.128 5.989 1.00 1.15 H new ATOM 1106 N ILE A 70 16.283 -9.567 4.107 1.00 1.14 N ATOM 1107 CA ILE A 70 16.942 -10.754 3.578 1.00 43.35 C ATOM 1108 C ILE A 70 16.255 -11.244 2.308 1.00 31.44 C ATOM 1109 O ILE A 70 16.912 -11.619 1.339 1.00 24.31 O ATOM 1110 CB ILE A 70 16.962 -11.896 4.612 1.00 13.31 C ATOM 1111 CG1 ILE A 70 18.010 -11.618 5.691 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.239 -13.226 3.927 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.435 -11.749 5.198 1.00 73.31 C ATOM 0 H ILE A 70 15.753 -9.725 4.964 1.00 1.14 H new ATOM 0 HA ILE A 70 17.968 -10.468 3.346 1.00 43.35 H new ATOM 0 HB ILE A 70 15.983 -11.952 5.089 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.860 -10.611 6.081 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.857 -12.307 6.521 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.250 -14.023 4.671 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.459 -13.426 3.192 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.207 -13.183 3.427 1.00 11.14 H new ATOM 0 HD11 ILE A 70 20.124 -11.538 6.016 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.603 -12.763 4.835 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.606 -11.040 4.388 1.00 73.31 H new ATOM 1125 N MET A 71 14.925 -11.238 2.322 1.00 71.51 N ATOM 1126 CA MET A 71 14.147 -11.680 1.171 1.00 43.30 C ATOM 1127 C MET A 71 14.587 -10.950 -0.095 1.00 65.43 C ATOM 1128 O MET A 71 14.789 -11.567 -1.141 1.00 75.00 O ATOM 1129 CB MET A 71 12.656 -11.446 1.416 1.00 72.31 C ATOM 1130 CG MET A 71 11.755 -12.276 0.515 1.00 1.33 C ATOM 1131 SD MET A 71 11.770 -14.027 0.941 1.00 74.13 S ATOM 1132 CE MET A 71 10.895 -14.723 -0.459 1.00 31.24 C ATOM 0 H MET A 71 14.365 -10.932 3.118 1.00 71.51 H new ATOM 0 HA MET A 71 14.322 -12.747 1.034 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.427 -11.676 2.457 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.433 -10.390 1.266 1.00 72.31 H new ATOM 0 HG2 MET A 71 10.735 -11.899 0.581 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.073 -12.155 -0.521 1.00 1.33 H new ATOM 0 HE1 MET A 71 10.059 -15.325 -0.103 1.00 31.24 H new ATOM 0 HE2 MET A 71 10.520 -13.918 -1.091 1.00 31.24 H new ATOM 0 HE3 MET A 71 11.573 -15.351 -1.037 1.00 31.24 H new ATOM 1142 N PHE A 72 14.734 -9.634 0.008 1.00 41.54 N ATOM 1143 CA PHE A 72 15.149 -8.819 -1.129 1.00 22.30 C ATOM 1144 C PHE A 72 16.602 -9.102 -1.499 1.00 43.01 C ATOM 1145 O PHE A 72 16.990 -8.994 -2.662 1.00 63.32 O ATOM 1146 CB PHE A 72 14.972 -7.333 -0.811 1.00 44.00 C ATOM 1147 CG PHE A 72 15.531 -6.424 -1.868 1.00 52.50 C ATOM 1148 CD1 PHE A 72 15.002 -6.421 -3.148 1.00 61.23 C ATOM 1149 CD2 PHE A 72 16.583 -5.570 -1.580 1.00 2.12 C ATOM 1150 CE1 PHE A 72 15.514 -5.586 -4.123 1.00 44.43 C ATOM 1151 CE2 PHE A 72 17.100 -4.732 -2.550 1.00 51.42 C ATOM 1152 CZ PHE A 72 16.564 -4.739 -3.823 1.00 61.11 C ATOM 0 H PHE A 72 14.572 -9.108 0.867 1.00 41.54 H new ATOM 0 HA PHE A 72 14.518 -9.079 -1.979 1.00 22.30 H new ATOM 0 HB2 PHE A 72 13.910 -7.120 -0.684 1.00 44.00 H new ATOM 0 HB3 PHE A 72 15.457 -7.113 0.140 1.00 44.00 H new ATOM 0 HD1 PHE A 72 14.180 -7.079 -3.387 1.00 61.23 H new ATOM 0 HD2 PHE A 72 17.004 -5.559 -0.586 1.00 2.12 H new ATOM 0 HE1 PHE A 72 15.094 -5.595 -5.118 1.00 44.43 H new ATOM 0 HE2 PHE A 72 17.922 -4.073 -2.313 1.00 51.42 H new ATOM 0 HZ PHE A 72 16.965 -4.084 -4.582 1.00 61.11 H new ATOM 1162 N ALA A 73 17.401 -9.463 -0.500 1.00 72.11 N ATOM 1163 CA ALA A 73 18.811 -9.763 -0.719 1.00 15.10 C ATOM 1164 C ALA A 73 18.985 -11.114 -1.405 1.00 3.03 C ATOM 1165 O ALA A 73 19.550 -11.199 -2.496 1.00 20.54 O ATOM 1166 CB ALA A 73 19.567 -9.738 0.601 1.00 40.23 C ATOM 0 H ALA A 73 17.096 -9.555 0.469 1.00 72.11 H new ATOM 0 HA ALA A 73 19.222 -8.996 -1.375 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.618 -9.964 0.422 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.480 -8.749 1.052 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.146 -10.483 1.276 1.00 40.23 H new ATOM 1172 N ILE A 74 18.496 -12.167 -0.758 1.00 62.02 N ATOM 1173 CA ILE A 74 18.598 -13.514 -1.307 1.00 2.11 C ATOM 1174 C ILE A 74 17.744 -13.663 -2.562 1.00 5.14 C ATOM 1175 O ILE A 74 18.202 -14.181 -3.579 1.00 43.34 O ATOM 1176 CB ILE A 74 18.166 -14.576 -0.278 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.133 -14.591 0.908 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.097 -15.948 -0.929 1.00 21.22 C ATOM 1179 CD1 ILE A 74 18.837 -15.679 1.915 1.00 30.22 C ATOM 0 H ILE A 74 18.026 -12.114 0.146 1.00 62.02 H new ATOM 0 HA ILE A 74 19.646 -13.671 -1.562 1.00 2.11 H new ATOM 0 HB ILE A 74 17.172 -14.320 0.090 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.150 -14.718 0.536 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.096 -13.624 1.409 1.00 44.31 H new ATOM 0 HG21 ILE A 74 17.790 -16.687 -0.189 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.373 -15.928 -1.743 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.078 -16.214 -1.322 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.562 -15.630 2.728 1.00 30.22 H new ATOM 0 HD12 ILE A 74 17.833 -15.541 2.315 1.00 30.22 H new ATOM 0 HD13 ILE A 74 18.903 -16.652 1.429 1.00 30.22 H new ATOM 1191 N GLY A 75 16.499 -13.202 -2.483 1.00 3.13 N ATOM 1192 CA GLY A 75 15.602 -13.291 -3.619 1.00 32.31 C ATOM 1193 C GLY A 75 16.220 -12.745 -4.891 1.00 1.25 C ATOM 1194 O GLY A 75 16.005 -13.284 -5.976 1.00 54.01 O ATOM 0 H GLY A 75 16.096 -12.769 -1.652 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.320 -14.332 -3.774 1.00 32.31 H new ATOM 0 HA3 GLY A 75 14.687 -12.742 -3.399 1.00 32.31 H new ATOM 1198 N THR A 76 16.989 -11.669 -4.757 1.00 53.52 N ATOM 1199 CA THR A 76 17.637 -11.046 -5.904 1.00 44.22 C ATOM 1200 C THR A 76 19.022 -11.638 -6.140 1.00 51.23 C ATOM 1201 O THR A 76 19.647 -11.388 -7.170 1.00 5.23 O ATOM 1202 CB THR A 76 17.767 -9.523 -5.719 1.00 62.11 C ATOM 1203 OG1 THR A 76 18.637 -9.236 -4.618 1.00 43.24 O ATOM 1204 CG2 THR A 76 16.406 -8.889 -5.473 1.00 74.33 C ATOM 0 H THR A 76 17.178 -11.211 -3.865 1.00 53.52 H new ATOM 0 HA THR A 76 17.006 -11.246 -6.770 1.00 44.22 H new ATOM 0 HB THR A 76 18.186 -9.103 -6.633 1.00 62.11 H new ATOM 0 HG1 THR A 76 18.165 -9.403 -3.776 1.00 43.24 H new ATOM 0 HG21 THR A 76 16.524 -7.813 -5.345 1.00 74.33 H new ATOM 0 HG22 THR A 76 15.754 -9.084 -6.325 1.00 74.33 H new ATOM 0 HG23 THR A 76 15.964 -9.315 -4.572 1.00 74.33 H new ATOM 1212 N GLY A 77 19.497 -12.425 -5.179 1.00 1.41 N ATOM 1213 CA GLY A 77 20.805 -13.040 -5.302 1.00 40.44 C ATOM 1214 C GLY A 77 21.933 -12.055 -5.062 1.00 21.42 C ATOM 1215 O GLY A 77 22.996 -12.157 -5.674 1.00 72.34 O ATOM 0 H GLY A 77 18.999 -12.647 -4.317 1.00 1.41 H new ATOM 0 HA2 GLY A 77 20.886 -13.861 -4.590 1.00 40.44 H new ATOM 0 HA3 GLY A 77 20.909 -13.471 -6.298 1.00 40.44 H new ATOM 1219 N ALA A 78 21.703 -11.099 -4.168 1.00 14.03 N ATOM 1220 CA ALA A 78 22.707 -10.094 -3.849 1.00 4.53 C ATOM 1221 C ALA A 78 23.666 -10.598 -2.775 1.00 51.42 C ATOM 1222 O ALA A 78 24.872 -10.351 -2.840 1.00 12.13 O ATOM 1223 CB ALA A 78 22.039 -8.804 -3.397 1.00 15.31 C ATOM 0 H ALA A 78 20.829 -11.000 -3.652 1.00 14.03 H new ATOM 0 HA ALA A 78 23.284 -9.895 -4.752 1.00 4.53 H new ATOM 0 HB1 ALA A 78 22.802 -8.062 -3.162 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.399 -8.427 -4.195 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.436 -8.998 -2.510 1.00 15.31 H new ATOM 1229 N LEU A 79 23.125 -11.304 -1.790 1.00 34.13 N ATOM 1230 CA LEU A 79 23.933 -11.843 -0.701 1.00 54.32 C ATOM 1231 C LEU A 79 23.863 -13.366 -0.674 1.00 62.35 C ATOM 1232 O LEU A 79 22.871 -13.974 -1.074 1.00 75.14 O ATOM 1233 CB LEU A 79 23.461 -11.276 0.640 1.00 45.25 C ATOM 1234 CG LEU A 79 24.006 -9.896 1.013 1.00 22.42 C ATOM 1235 CD1 LEU A 79 23.357 -9.396 2.295 1.00 41.33 C ATOM 1236 CD2 LEU A 79 25.520 -9.943 1.162 1.00 23.31 C ATOM 0 H LEU A 79 22.130 -11.517 -1.722 1.00 34.13 H new ATOM 0 HA LEU A 79 24.969 -11.548 -0.869 1.00 54.32 H new ATOM 0 HB2 LEU A 79 22.372 -11.224 0.627 1.00 45.25 H new ATOM 0 HB3 LEU A 79 23.737 -11.979 1.426 1.00 45.25 H new ATOM 0 HG LEU A 79 23.762 -9.200 0.210 1.00 22.42 H new ATOM 0 HD11 LEU A 79 23.756 -8.413 2.546 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.279 -9.324 2.153 1.00 41.33 H new ATOM 0 HD13 LEU A 79 23.570 -10.092 3.106 1.00 41.33 H new ATOM 0 HD21 LEU A 79 25.890 -8.953 1.427 1.00 23.31 H new ATOM 0 HD22 LEU A 79 25.787 -10.652 1.946 1.00 23.31 H new ATOM 0 HD23 LEU A 79 25.969 -10.258 0.220 1.00 23.31 H new ATOM 1248 N PRO A 80 24.943 -13.999 -0.189 1.00 14.00 N ATOM 1249 CA PRO A 80 25.027 -15.460 -0.095 1.00 41.14 C ATOM 1250 C PRO A 80 24.094 -16.028 0.968 1.00 21.40 C ATOM 1251 O PRO A 80 24.176 -15.661 2.140 1.00 0.41 O ATOM 1252 CB PRO A 80 26.489 -15.706 0.289 1.00 72.45 C ATOM 1253 CG PRO A 80 26.916 -14.454 0.973 1.00 25.51 C ATOM 1254 CD PRO A 80 26.161 -13.338 0.306 1.00 63.44 C ATOM 0 HA PRO A 80 24.727 -15.946 -1.023 1.00 41.14 H new ATOM 0 HB2 PRO A 80 26.586 -16.570 0.947 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.101 -15.905 -0.590 1.00 72.45 H new ATOM 0 HG2 PRO A 80 26.690 -14.495 2.039 1.00 25.51 H new ATOM 0 HG3 PRO A 80 27.992 -14.307 0.881 1.00 25.51 H new ATOM 0 HD2 PRO A 80 25.927 -12.536 1.006 1.00 63.44 H new ATOM 0 HD3 PRO A 80 26.736 -12.894 -0.507 1.00 63.44 H new ATOM 1262 N ALA A 81 23.208 -16.926 0.552 1.00 32.45 N ATOM 1263 CA ALA A 81 22.261 -17.547 1.470 1.00 0.14 C ATOM 1264 C ALA A 81 22.981 -18.406 2.504 1.00 23.15 C ATOM 1265 O ALA A 81 22.485 -18.608 3.613 1.00 35.22 O ATOM 1266 CB ALA A 81 21.249 -18.382 0.700 1.00 1.12 C ATOM 0 H ALA A 81 23.126 -17.240 -0.415 1.00 32.45 H new ATOM 0 HA ALA A 81 21.733 -16.754 1.999 1.00 0.14 H new ATOM 0 HB1 ALA A 81 20.548 -18.840 1.398 1.00 1.12 H new ATOM 0 HB2 ALA A 81 20.704 -17.743 0.005 1.00 1.12 H new ATOM 0 HB3 ALA A 81 21.769 -19.162 0.144 1.00 1.12 H new ATOM 1272 N LYS A 82 24.153 -18.911 2.134 1.00 52.31 N ATOM 1273 CA LYS A 82 24.942 -19.748 3.029 1.00 64.02 C ATOM 1274 C LYS A 82 25.532 -18.922 4.168 1.00 31.13 C ATOM 1275 O LYS A 82 25.349 -19.247 5.341 1.00 60.00 O ATOM 1276 CB LYS A 82 26.066 -20.442 2.254 1.00 15.40 C ATOM 1277 CG LYS A 82 26.073 -21.952 2.416 1.00 55.43 C ATOM 1278 CD LYS A 82 27.177 -22.594 1.593 1.00 25.31 C ATOM 1279 CE LYS A 82 27.815 -23.761 2.333 1.00 43.03 C ATOM 1280 NZ LYS A 82 29.260 -23.905 2.000 1.00 1.31 N1+ ATOM 0 H LYS A 82 24.577 -18.755 1.220 1.00 52.31 H new ATOM 0 HA LYS A 82 24.282 -20.503 3.455 1.00 64.02 H new ATOM 0 HB2 LYS A 82 25.970 -20.199 1.196 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.025 -20.045 2.587 1.00 15.40 H new ATOM 0 HG2 LYS A 82 26.207 -22.206 3.468 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.108 -22.356 2.111 1.00 55.43 H new ATOM 0 HD2 LYS A 82 26.770 -22.942 0.644 1.00 25.31 H new ATOM 0 HD3 LYS A 82 27.938 -21.850 1.359 1.00 25.31 H new ATOM 0 HE2 LYS A 82 27.703 -23.615 3.407 1.00 43.03 H new ATOM 0 HE3 LYS A 82 27.290 -24.682 2.080 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 29.658 -24.710 2.524 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 29.366 -24.070 0.979 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 29.766 -23.036 2.265 1.00 1.31 H new ATOM 1294 N GLU A 83 26.238 -17.853 3.815 1.00 54.33 N ATOM 1295 CA GLU A 83 26.853 -16.981 4.809 1.00 72.13 C ATOM 1296 C GLU A 83 25.796 -16.368 5.723 1.00 22.30 C ATOM 1297 O GLU A 83 25.968 -16.316 6.941 1.00 41.13 O ATOM 1298 CB GLU A 83 27.654 -15.872 4.122 1.00 33.31 C ATOM 1299 CG GLU A 83 28.960 -15.541 4.824 1.00 73.20 C ATOM 1300 CD GLU A 83 30.149 -16.254 4.210 1.00 31.14 C ATOM 1301 OE1 GLU A 83 30.198 -16.363 2.967 1.00 4.11 O ATOM 1302 OE2 GLU A 83 31.029 -16.704 4.974 1.00 42.32 O1- ATOM 0 H GLU A 83 26.398 -17.570 2.848 1.00 54.33 H new ATOM 0 HA GLU A 83 27.528 -17.584 5.416 1.00 72.13 H new ATOM 0 HB2 GLU A 83 27.868 -16.172 3.096 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.041 -14.972 4.069 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.127 -14.465 4.785 1.00 73.20 H new ATOM 0 HG3 GLU A 83 28.882 -15.813 5.877 1.00 73.20 H new ATOM 1309 N ALA A 84 24.703 -15.905 5.126 1.00 31.35 N ATOM 1310 CA ALA A 84 23.617 -15.297 5.886 1.00 33.22 C ATOM 1311 C ALA A 84 23.185 -16.196 7.040 1.00 0.53 C ATOM 1312 O ALA A 84 23.096 -15.752 8.185 1.00 54.02 O ATOM 1313 CB ALA A 84 22.435 -15.001 4.974 1.00 63.32 C ATOM 0 H ALA A 84 24.546 -15.939 4.119 1.00 31.35 H new ATOM 0 HA ALA A 84 23.981 -14.359 6.306 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.632 -14.547 5.555 1.00 63.32 H new ATOM 0 HB2 ALA A 84 22.746 -14.314 4.187 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.079 -15.929 4.526 1.00 63.32 H new ATOM 1319 N MET A 85 22.917 -17.461 6.732 1.00 15.31 N ATOM 1320 CA MET A 85 22.494 -18.420 7.745 1.00 72.33 C ATOM 1321 C MET A 85 23.681 -18.884 8.583 1.00 13.11 C ATOM 1322 O MET A 85 23.520 -19.279 9.737 1.00 65.35 O ATOM 1323 CB MET A 85 21.819 -19.625 7.086 1.00 14.13 C ATOM 1324 CG MET A 85 20.436 -19.319 6.533 1.00 2.33 C ATOM 1325 SD MET A 85 19.929 -20.479 5.250 1.00 30.31 S ATOM 1326 CE MET A 85 19.714 -19.372 3.858 1.00 34.22 C ATOM 0 H MET A 85 22.985 -17.845 5.790 1.00 15.31 H new ATOM 0 HA MET A 85 21.779 -17.925 8.402 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.453 -19.989 6.277 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.740 -20.431 7.816 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.710 -19.343 7.346 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.427 -18.307 6.127 1.00 2.33 H new ATOM 0 HE1 MET A 85 18.655 -19.302 3.609 1.00 34.22 H new ATOM 0 HE2 MET A 85 20.092 -18.383 4.118 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.264 -19.756 2.999 1.00 34.22 H new ATOM 1336 N ALA A 86 24.871 -18.833 7.994 1.00 22.40 N ATOM 1337 CA ALA A 86 26.085 -19.247 8.688 1.00 24.14 C ATOM 1338 C ALA A 86 26.317 -18.403 9.937 1.00 44.20 C ATOM 1339 O ALA A 86 26.878 -18.880 10.923 1.00 35.33 O ATOM 1340 CB ALA A 86 27.283 -19.154 7.756 1.00 41.43 C ATOM 0 H ALA A 86 25.021 -18.509 7.038 1.00 22.40 H new ATOM 0 HA ALA A 86 25.961 -20.284 9.000 1.00 24.14 H new ATOM 0 HB1 ALA A 86 28.182 -19.466 8.287 1.00 41.43 H new ATOM 0 HB2 ALA A 86 27.126 -19.804 6.895 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.401 -18.125 7.416 1.00 41.43 H new ATOM 1346 N GLN A 87 25.884 -17.147 9.886 1.00 21.33 N ATOM 1347 CA GLN A 87 26.047 -16.238 11.015 1.00 11.30 C ATOM 1348 C GLN A 87 24.856 -16.327 11.962 1.00 13.12 C ATOM 1349 O GLN A 87 24.519 -15.358 12.644 1.00 34.44 O ATOM 1350 CB GLN A 87 26.213 -14.800 10.518 1.00 62.44 C ATOM 1351 CG GLN A 87 27.628 -14.472 10.069 1.00 22.40 C ATOM 1352 CD GLN A 87 27.782 -13.028 9.637 1.00 42.41 C ATOM 1353 OE1 GLN A 87 26.962 -12.174 9.978 1.00 63.45 O ATOM 1354 NE2 GLN A 87 28.836 -12.744 8.880 1.00 23.23 N ATOM 0 H GLN A 87 25.419 -16.736 9.077 1.00 21.33 H new ATOM 0 HA GLN A 87 26.943 -16.533 11.560 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.528 -14.630 9.687 1.00 62.44 H new ATOM 0 HB3 GLN A 87 25.925 -14.113 11.314 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.321 -14.679 10.884 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.904 -15.126 9.242 1.00 22.40 H new ATOM 0 HE21 GLN A 87 29.491 -13.482 8.620 1.00 23.23 H new ATOM 0 HE22 GLN A 87 28.990 -11.788 8.558 1.00 23.23 H new ATOM 1363 N ASP A 88 24.221 -17.493 11.999 1.00 74.43 N ATOM 1364 CA ASP A 88 23.066 -17.708 12.863 1.00 30.11 C ATOM 1365 C ASP A 88 22.079 -16.551 12.750 1.00 61.34 C ATOM 1366 O ASP A 88 21.350 -16.248 13.695 1.00 12.20 O ATOM 1367 CB ASP A 88 23.514 -17.873 14.317 1.00 42.33 C ATOM 1368 CG ASP A 88 24.129 -19.233 14.582 1.00 10.02 C ATOM 1369 OD1 ASP A 88 24.962 -19.677 13.766 1.00 1.01 O1- ATOM 1370 OD2 ASP A 88 23.776 -19.853 15.608 1.00 73.51 O ATOM 0 H ASP A 88 24.487 -18.304 11.441 1.00 74.43 H new ATOM 0 HA ASP A 88 22.566 -18.621 12.539 1.00 30.11 H new ATOM 0 HB2 ASP A 88 24.238 -17.096 14.561 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.658 -17.730 14.976 1.00 42.33 H new ATOM 1375 N LYS A 89 22.061 -15.907 11.588 1.00 0.12 N ATOM 1376 CA LYS A 89 21.164 -14.783 11.349 1.00 50.20 C ATOM 1377 C LYS A 89 19.838 -15.259 10.763 1.00 23.34 C ATOM 1378 O LYS A 89 18.977 -14.452 10.419 1.00 54.12 O ATOM 1379 CB LYS A 89 21.819 -13.773 10.403 1.00 12.11 C ATOM 1380 CG LYS A 89 22.166 -12.453 11.068 1.00 1.11 C ATOM 1381 CD LYS A 89 21.860 -11.274 10.161 1.00 0.51 C ATOM 1382 CE LYS A 89 22.770 -10.092 10.456 1.00 23.00 C ATOM 1383 NZ LYS A 89 22.073 -9.037 11.244 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.658 -16.145 10.796 1.00 0.12 H new ATOM 0 HA LYS A 89 20.965 -14.300 12.306 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.727 -14.211 9.989 1.00 12.11 H new ATOM 0 HB3 LYS A 89 21.147 -13.583 9.566 1.00 12.11 H new ATOM 0 HG2 LYS A 89 21.604 -12.354 11.997 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.223 -12.445 11.332 1.00 1.11 H new ATOM 0 HD2 LYS A 89 21.978 -11.574 9.120 1.00 0.51 H new ATOM 0 HD3 LYS A 89 20.820 -10.975 10.290 1.00 0.51 H new ATOM 0 HE2 LYS A 89 23.646 -10.437 11.006 1.00 23.00 H new ATOM 0 HE3 LYS A 89 23.129 -9.667 9.518 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 22.727 -8.249 11.424 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 21.252 -8.690 10.709 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 21.753 -9.435 12.150 1.00 64.21 H new ATOM 1397 N MET A 90 19.683 -16.574 10.657 1.00 61.54 N ATOM 1398 CA MET A 90 18.461 -17.157 10.115 1.00 34.14 C ATOM 1399 C MET A 90 18.326 -18.620 10.528 1.00 23.11 C ATOM 1400 O MET A 90 19.324 -19.323 10.687 1.00 52.43 O ATOM 1401 CB MET A 90 18.447 -17.043 8.590 1.00 63.10 C ATOM 1402 CG MET A 90 17.777 -15.777 8.082 1.00 53.24 C ATOM 1403 SD MET A 90 18.843 -14.817 6.989 1.00 10.12 S ATOM 1404 CE MET A 90 19.106 -15.986 5.659 1.00 55.23 C ATOM 0 H MET A 90 20.387 -17.256 10.939 1.00 61.54 H new ATOM 0 HA MET A 90 17.614 -16.603 10.521 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.473 -17.074 8.222 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.932 -17.909 8.174 1.00 63.10 H new ATOM 0 HG2 MET A 90 16.863 -16.042 7.551 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.484 -15.160 8.931 1.00 53.24 H new ATOM 0 HE1 MET A 90 20.159 -16.266 5.623 1.00 55.23 H new ATOM 0 HE2 MET A 90 18.500 -16.876 5.831 1.00 55.23 H new ATOM 0 HE3 MET A 90 18.819 -15.530 4.712 1.00 55.23 H new ATOM 1414 N GLU A 91 17.087 -19.070 10.700 1.00 65.45 N ATOM 1415 CA GLU A 91 16.826 -20.450 11.096 1.00 11.40 C ATOM 1416 C GLU A 91 15.954 -21.155 10.061 1.00 34.33 C ATOM 1417 O GLU A 91 14.762 -20.874 9.941 1.00 12.44 O ATOM 1418 CB GLU A 91 16.145 -20.490 12.465 1.00 33.13 C ATOM 1419 CG GLU A 91 16.984 -19.888 13.580 1.00 21.12 C ATOM 1420 CD GLU A 91 16.905 -20.688 14.865 1.00 24.32 C ATOM 1421 OE1 GLU A 91 15.886 -21.378 15.075 1.00 0.55 O1- ATOM 1422 OE2 GLU A 91 17.865 -20.625 15.663 1.00 51.55 O ATOM 0 H GLU A 91 16.250 -18.501 10.572 1.00 65.45 H new ATOM 0 HA GLU A 91 17.781 -20.972 11.158 1.00 11.40 H new ATOM 0 HB2 GLU A 91 15.197 -19.955 12.406 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.912 -21.525 12.715 1.00 33.13 H new ATOM 0 HG2 GLU A 91 18.023 -19.829 13.256 1.00 21.12 H new ATOM 0 HG3 GLU A 91 16.651 -18.868 13.770 1.00 21.12 H new ATOM 1429 N VAL A 92 16.558 -22.075 9.315 1.00 4.22 N ATOM 1430 CA VAL A 92 15.838 -22.823 8.291 1.00 10.32 C ATOM 1431 C VAL A 92 15.701 -24.291 8.676 1.00 5.13 C ATOM 1432 O VAL A 92 16.613 -24.877 9.261 1.00 24.13 O ATOM 1433 CB VAL A 92 16.543 -22.725 6.926 1.00 74.54 C ATOM 1434 CG1 VAL A 92 15.817 -23.569 5.888 1.00 44.34 C ATOM 1435 CG2 VAL A 92 16.634 -21.274 6.475 1.00 24.44 C ATOM 0 H VAL A 92 17.544 -22.320 9.401 1.00 4.22 H new ATOM 0 HA VAL A 92 14.846 -22.378 8.213 1.00 10.32 H new ATOM 0 HB VAL A 92 17.556 -23.113 7.032 1.00 74.54 H new ATOM 0 HG11 VAL A 92 16.330 -23.487 4.930 1.00 44.34 H new ATOM 0 HG12 VAL A 92 15.809 -24.611 6.208 1.00 44.34 H new ATOM 0 HG13 VAL A 92 14.792 -23.214 5.783 1.00 44.34 H new ATOM 0 HG21 VAL A 92 17.135 -21.224 5.508 1.00 24.44 H new ATOM 0 HG22 VAL A 92 15.631 -20.857 6.385 1.00 24.44 H new ATOM 0 HG23 VAL A 92 17.201 -20.700 7.208 1.00 24.44 H new ATOM 1445 N ASP A 93 14.558 -24.881 8.344 1.00 5.23 N ATOM 1446 CA ASP A 93 14.302 -26.282 8.655 1.00 71.33 C ATOM 1447 C ASP A 93 13.771 -27.022 7.430 1.00 3.43 C ATOM 1448 O ASP A 93 12.667 -26.750 6.960 1.00 70.13 O ATOM 1449 CB ASP A 93 13.304 -26.397 9.809 1.00 63.55 C ATOM 1450 CG ASP A 93 13.636 -25.464 10.956 1.00 64.33 C ATOM 1451 OD1 ASP A 93 14.575 -25.772 11.719 1.00 3.05 O ATOM 1452 OD2 ASP A 93 12.957 -24.425 11.090 1.00 61.15 O1- ATOM 0 H ASP A 93 13.794 -24.410 7.859 1.00 5.23 H new ATOM 0 HA ASP A 93 15.245 -26.741 8.954 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.302 -26.175 9.442 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.290 -27.424 10.173 1.00 63.55 H new ATOM 1457 N GLY A 94 14.565 -27.955 6.919 1.00 62.44 N ATOM 1458 CA GLY A 94 14.159 -28.719 5.753 1.00 54.13 C ATOM 1459 C GLY A 94 15.307 -29.493 5.137 1.00 34.44 C ATOM 1460 O GLY A 94 16.469 -29.264 5.472 1.00 31.24 O ATOM 0 H GLY A 94 15.483 -28.197 7.291 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.367 -29.413 6.035 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.740 -28.043 5.008 1.00 54.13 H new ATOM 1464 N GLN A 95 14.981 -30.414 4.235 1.00 20.11 N ATOM 1465 CA GLN A 95 15.995 -31.227 3.574 1.00 74.11 C ATOM 1466 C GLN A 95 17.027 -30.348 2.876 1.00 14.41 C ATOM 1467 O GLN A 95 16.689 -29.550 2.001 1.00 70.12 O ATOM 1468 CB GLN A 95 15.342 -32.170 2.562 1.00 43.12 C ATOM 1469 CG GLN A 95 15.820 -33.609 2.674 1.00 5.44 C ATOM 1470 CD GLN A 95 15.727 -34.145 4.089 1.00 62.14 C ATOM 1471 OE1 GLN A 95 14.636 -34.296 4.638 1.00 52.20 O ATOM 1472 NE2 GLN A 95 16.877 -34.438 4.687 1.00 15.42 N ATOM 0 H GLN A 95 14.024 -30.615 3.946 1.00 20.11 H new ATOM 0 HA GLN A 95 16.504 -31.818 4.335 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.261 -32.143 2.698 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.545 -31.806 1.555 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.226 -34.238 2.011 1.00 5.44 H new ATOM 0 HG3 GLN A 95 16.853 -33.673 2.332 1.00 5.44 H new ATOM 0 HE21 GLN A 95 17.759 -34.297 4.194 1.00 15.42 H new ATOM 0 HE22 GLN A 95 16.878 -34.804 5.639 1.00 15.42 H new ATOM 1481 N VAL A 96 18.288 -30.498 3.268 1.00 3.03 N ATOM 1482 CA VAL A 96 19.370 -29.718 2.680 1.00 31.30 C ATOM 1483 C VAL A 96 19.224 -29.631 1.164 1.00 11.34 C ATOM 1484 O VAL A 96 19.222 -28.540 0.594 1.00 40.02 O ATOM 1485 CB VAL A 96 20.746 -30.324 3.017 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.857 -29.536 2.339 1.00 73.33 C ATOM 1487 CG2 VAL A 96 20.954 -30.368 4.523 1.00 14.52 C ATOM 0 H VAL A 96 18.585 -31.153 3.991 1.00 3.03 H new ATOM 0 HA VAL A 96 19.307 -28.717 3.107 1.00 31.30 H new ATOM 0 HB VAL A 96 20.776 -31.346 2.640 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.821 -29.979 2.588 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.714 -29.562 1.259 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.832 -28.502 2.683 1.00 73.33 H new ATOM 0 HG21 VAL A 96 21.931 -30.799 4.743 1.00 14.52 H new ATOM 0 HG22 VAL A 96 20.904 -29.357 4.927 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.176 -30.980 4.980 1.00 14.52 H new ATOM 1497 N GLU A 97 19.099 -30.786 0.520 1.00 74.25 N ATOM 1498 CA GLU A 97 18.952 -30.839 -0.930 1.00 11.51 C ATOM 1499 C GLU A 97 17.748 -30.018 -1.385 1.00 42.00 C ATOM 1500 O GLU A 97 17.850 -29.201 -2.301 1.00 42.22 O ATOM 1501 CB GLU A 97 18.800 -32.288 -1.397 1.00 74.24 C ATOM 1502 CG GLU A 97 20.032 -32.834 -2.098 1.00 53.13 C ATOM 1503 CD GLU A 97 19.750 -33.259 -3.526 1.00 42.33 C ATOM 1504 OE1 GLU A 97 19.681 -32.375 -4.406 1.00 51.11 O ATOM 1505 OE2 GLU A 97 19.599 -34.475 -3.765 1.00 41.00 O1- ATOM 0 H GLU A 97 19.096 -31.697 0.978 1.00 74.25 H new ATOM 0 HA GLU A 97 19.851 -30.413 -1.376 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.574 -32.917 -0.536 1.00 74.24 H new ATOM 0 HB3 GLU A 97 17.948 -32.355 -2.073 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.813 -32.074 -2.097 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.416 -33.687 -1.538 1.00 53.13 H new ATOM 1512 N LEU A 98 16.609 -30.241 -0.739 1.00 4.22 N ATOM 1513 CA LEU A 98 15.385 -29.523 -1.076 1.00 45.51 C ATOM 1514 C LEU A 98 15.643 -28.022 -1.173 1.00 62.10 C ATOM 1515 O LEU A 98 15.334 -27.393 -2.185 1.00 75.13 O ATOM 1516 CB LEU A 98 14.303 -29.799 -0.030 1.00 63.45 C ATOM 1517 CG LEU A 98 13.253 -30.843 -0.411 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.606 -31.428 0.835 1.00 70.31 C ATOM 1519 CD2 LEU A 98 12.200 -30.232 -1.324 1.00 24.12 C ATOM 0 H LEU A 98 16.508 -30.913 0.021 1.00 4.22 H new ATOM 0 HA LEU A 98 15.041 -29.878 -2.048 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.789 -30.121 0.891 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.792 -28.862 0.191 1.00 63.45 H new ATOM 0 HG LEU A 98 13.749 -31.649 -0.951 1.00 24.15 H new ATOM 0 HD11 LEU A 98 11.861 -32.169 0.545 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.369 -31.903 1.452 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.124 -30.632 1.402 1.00 70.31 H new ATOM 0 HD21 LEU A 98 11.461 -30.989 -1.585 1.00 24.12 H new ATOM 0 HD22 LEU A 98 11.708 -29.406 -0.810 1.00 24.12 H new ATOM 0 HD23 LEU A 98 12.676 -29.862 -2.232 1.00 24.12 H new ATOM 1531 N ILE A 99 16.214 -27.456 -0.115 1.00 14.23 N ATOM 1532 CA ILE A 99 16.516 -26.030 -0.083 1.00 35.14 C ATOM 1533 C ILE A 99 17.683 -25.695 -1.005 1.00 52.03 C ATOM 1534 O ILE A 99 17.821 -24.560 -1.461 1.00 51.23 O ATOM 1535 CB ILE A 99 16.852 -25.558 1.345 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.085 -26.296 1.872 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.663 -25.776 2.268 1.00 43.42 C ATOM 1538 CD1 ILE A 99 18.714 -25.636 3.079 1.00 52.41 C ATOM 0 H ILE A 99 16.477 -27.962 0.731 1.00 14.23 H new ATOM 0 HA ILE A 99 15.623 -25.510 -0.428 1.00 35.14 H new ATOM 0 HB ILE A 99 17.074 -24.491 1.317 1.00 70.21 H new ATOM 0 HG12 ILE A 99 17.804 -27.317 2.131 1.00 34.25 H new ATOM 0 HG13 ILE A 99 18.827 -26.362 1.076 1.00 34.25 H new ATOM 0 HG21 ILE A 99 15.916 -25.438 3.273 1.00 43.42 H new ATOM 0 HG22 ILE A 99 14.807 -25.210 1.899 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.412 -26.836 2.294 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.582 -26.213 3.398 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.026 -24.624 2.819 1.00 52.41 H new ATOM 0 HD13 ILE A 99 17.988 -25.594 3.891 1.00 52.41 H new ATOM 1550 N PHE A 100 18.519 -26.690 -1.277 1.00 71.24 N ATOM 1551 CA PHE A 100 19.675 -26.502 -2.147 1.00 72.33 C ATOM 1552 C PHE A 100 19.248 -26.429 -3.611 1.00 42.50 C ATOM 1553 O PHE A 100 20.031 -26.041 -4.479 1.00 71.51 O ATOM 1554 CB PHE A 100 20.677 -27.641 -1.953 1.00 70.10 C ATOM 1555 CG PHE A 100 21.869 -27.257 -1.125 1.00 5.21 C ATOM 1556 CD1 PHE A 100 21.710 -26.817 0.180 1.00 32.30 C ATOM 1557 CD2 PHE A 100 23.148 -27.334 -1.650 1.00 64.21 C ATOM 1558 CE1 PHE A 100 22.805 -26.463 0.945 1.00 55.43 C ATOM 1559 CE2 PHE A 100 24.247 -26.981 -0.890 1.00 44.14 C ATOM 1560 CZ PHE A 100 24.075 -26.544 0.409 1.00 4.43 C ATOM 0 H PHE A 100 18.418 -27.636 -0.908 1.00 71.24 H new ATOM 0 HA PHE A 100 20.151 -25.559 -1.878 1.00 72.33 H new ATOM 0 HB2 PHE A 100 20.171 -28.482 -1.479 1.00 70.10 H new ATOM 0 HB3 PHE A 100 21.019 -27.984 -2.930 1.00 70.10 H new ATOM 0 HD1 PHE A 100 20.719 -26.750 0.604 1.00 32.30 H new ATOM 0 HD2 PHE A 100 23.288 -27.674 -2.665 1.00 64.21 H new ATOM 0 HE1 PHE A 100 22.668 -26.123 1.961 1.00 55.43 H new ATOM 0 HE2 PHE A 100 25.239 -27.047 -1.311 1.00 44.14 H new ATOM 0 HZ PHE A 100 24.932 -26.266 1.004 1.00 4.43 H new ATOM 1570 N LEU A 101 18.001 -26.803 -3.877 1.00 25.32 N ATOM 1571 CA LEU A 101 17.469 -26.781 -5.234 1.00 40.32 C ATOM 1572 C LEU A 101 17.149 -25.354 -5.671 1.00 65.23 C ATOM 1573 O LEU A 101 17.268 -25.012 -6.848 1.00 62.41 O ATOM 1574 CB LEU A 101 16.211 -27.647 -5.325 1.00 25.44 C ATOM 1575 CG LEU A 101 16.440 -29.158 -5.381 1.00 23.22 C ATOM 1576 CD1 LEU A 101 15.116 -29.902 -5.291 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.182 -29.538 -6.654 1.00 22.30 C ATOM 0 H LEU A 101 17.340 -27.125 -3.170 1.00 25.32 H new ATOM 0 HA LEU A 101 18.230 -27.185 -5.902 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.579 -27.427 -4.464 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.654 -27.351 -6.214 1.00 25.44 H new ATOM 0 HG LEU A 101 17.054 -29.445 -4.527 1.00 23.22 H new ATOM 0 HD11 LEU A 101 15.299 -30.976 -5.332 1.00 4.34 H new ATOM 0 HD12 LEU A 101 14.622 -29.654 -4.351 1.00 4.34 H new ATOM 0 HD13 LEU A 101 14.477 -29.610 -6.125 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.336 -30.617 -6.677 1.00 22.30 H new ATOM 0 HD22 LEU A 101 16.594 -29.237 -7.521 1.00 22.30 H new ATOM 0 HD23 LEU A 101 18.148 -29.033 -6.677 1.00 22.30 H new ATOM 1589 N LEU A 102 16.746 -24.525 -4.715 1.00 30.55 N ATOM 1590 CA LEU A 102 16.411 -23.134 -4.999 1.00 44.41 C ATOM 1591 C LEU A 102 17.649 -22.246 -4.905 1.00 35.10 C ATOM 1592 O LEU A 102 17.604 -21.066 -5.249 1.00 24.35 O ATOM 1593 CB LEU A 102 15.339 -22.637 -4.028 1.00 74.32 C ATOM 1594 CG LEU A 102 13.889 -22.894 -4.442 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.721 -24.321 -4.942 1.00 14.34 C ATOM 1596 CD2 LEU A 102 12.947 -22.620 -3.279 1.00 31.25 C ATOM 0 H LEU A 102 16.643 -24.792 -3.736 1.00 30.55 H new ATOM 0 HA LEU A 102 16.023 -23.080 -6.016 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.508 -23.107 -3.059 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.472 -21.564 -3.889 1.00 74.32 H new ATOM 0 HG LEU A 102 13.637 -22.214 -5.256 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.683 -24.485 -5.232 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.368 -24.483 -5.804 1.00 14.34 H new ATOM 0 HD13 LEU A 102 13.991 -25.019 -4.149 1.00 14.34 H new ATOM 0 HD21 LEU A 102 11.920 -22.808 -3.591 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.199 -23.275 -2.445 1.00 31.25 H new ATOM 0 HD23 LEU A 102 13.047 -21.580 -2.967 1.00 31.25 H new ATOM 1608 N GLU A 103 18.751 -22.825 -4.439 1.00 43.15 N ATOM 1609 CA GLU A 103 20.001 -22.086 -4.302 1.00 3.21 C ATOM 1610 C GLU A 103 20.525 -21.645 -5.665 1.00 63.23 C ATOM 1611 O GLU A 103 20.883 -20.486 -5.877 1.00 12.34 O ATOM 1612 CB GLU A 103 21.050 -22.943 -3.592 1.00 45.21 C ATOM 1613 CG GLU A 103 21.073 -22.753 -2.084 1.00 43.34 C ATOM 1614 CD GLU A 103 22.247 -23.452 -1.426 1.00 35.30 C ATOM 1615 OE1 GLU A 103 22.701 -24.484 -1.966 1.00 3.05 O ATOM 1616 OE2 GLU A 103 22.711 -22.970 -0.372 1.00 12.12 O1- ATOM 0 H GLU A 103 18.804 -23.802 -4.150 1.00 43.15 H new ATOM 0 HA GLU A 103 19.804 -21.196 -3.704 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.860 -23.993 -3.814 1.00 45.21 H new ATOM 0 HB3 GLU A 103 22.034 -22.705 -3.995 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.115 -21.688 -1.856 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.144 -23.133 -1.659 1.00 43.34 H new ATOM 1623 N PRO A 104 20.573 -22.592 -6.614 1.00 1.41 N ATOM 1624 CA PRO A 104 21.053 -22.326 -7.974 1.00 73.13 C ATOM 1625 C PRO A 104 20.092 -21.444 -8.765 1.00 4.23 C ATOM 1626 O PRO A 104 20.407 -21.002 -9.870 1.00 22.01 O ATOM 1627 CB PRO A 104 21.136 -23.721 -8.599 1.00 53.34 C ATOM 1628 CG PRO A 104 20.153 -24.538 -7.835 1.00 15.34 C ATOM 1629 CD PRO A 104 20.163 -23.995 -6.433 1.00 52.44 C ATOM 0 HA PRO A 104 22.000 -21.786 -7.975 1.00 73.13 H new ATOM 0 HB2 PRO A 104 20.889 -23.695 -9.660 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.142 -24.133 -8.516 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.158 -24.464 -8.275 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.429 -25.592 -7.847 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.181 -24.070 -5.966 1.00 52.44 H new ATOM 0 HD3 PRO A 104 20.861 -24.539 -5.796 1.00 52.44 H new ATOM 1637 N PHE A 105 18.921 -21.191 -8.193 1.00 2.15 N ATOM 1638 CA PHE A 105 17.914 -20.361 -8.844 1.00 32.10 C ATOM 1639 C PHE A 105 17.910 -18.952 -8.261 1.00 31.15 C ATOM 1640 O PHE A 105 17.371 -18.021 -8.862 1.00 64.30 O ATOM 1641 CB PHE A 105 16.528 -20.992 -8.694 1.00 54.33 C ATOM 1642 CG PHE A 105 16.112 -21.815 -9.880 1.00 41.41 C ATOM 1643 CD1 PHE A 105 16.971 -22.757 -10.423 1.00 1.41 C ATOM 1644 CD2 PHE A 105 14.861 -21.645 -10.452 1.00 74.43 C ATOM 1645 CE1 PHE A 105 16.591 -23.514 -11.514 1.00 3.32 C ATOM 1646 CE2 PHE A 105 14.475 -22.401 -11.544 1.00 11.53 C ATOM 1647 CZ PHE A 105 15.341 -23.337 -12.075 1.00 12.30 C ATOM 0 H PHE A 105 18.645 -21.549 -7.279 1.00 2.15 H new ATOM 0 HA PHE A 105 18.163 -20.295 -9.903 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.519 -21.621 -7.804 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.794 -20.203 -8.534 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.949 -22.901 -9.988 1.00 1.41 H new ATOM 0 HD2 PHE A 105 14.180 -20.914 -10.041 1.00 74.43 H new ATOM 0 HE1 PHE A 105 17.271 -24.244 -11.928 1.00 3.32 H new ATOM 0 HE2 PHE A 105 13.498 -22.260 -11.981 1.00 11.53 H new ATOM 0 HZ PHE A 105 15.042 -23.929 -12.927 1.00 12.30 H new ATOM 1657 N ILE A 106 18.514 -18.802 -7.087 1.00 24.22 N ATOM 1658 CA ILE A 106 18.581 -17.506 -6.422 1.00 75.54 C ATOM 1659 C ILE A 106 19.201 -16.453 -7.334 1.00 2.34 C ATOM 1660 O ILE A 106 18.622 -15.390 -7.554 1.00 3.54 O ATOM 1661 CB ILE A 106 19.395 -17.584 -5.118 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.572 -18.256 -4.017 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.835 -16.194 -4.684 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.413 -18.839 -2.904 1.00 25.24 C ATOM 0 H ILE A 106 18.964 -19.562 -6.577 1.00 24.22 H new ATOM 0 HA ILE A 106 17.557 -17.219 -6.184 1.00 75.54 H new ATOM 0 HB ILE A 106 20.286 -18.186 -5.299 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.881 -17.527 -3.595 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.968 -19.049 -4.459 1.00 1.44 H new ATOM 0 HG21 ILE A 106 20.409 -16.266 -3.760 1.00 24.41 H new ATOM 0 HG22 ILE A 106 20.454 -15.749 -5.463 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.957 -15.570 -4.517 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.763 -19.299 -2.159 1.00 25.24 H new ATOM 0 HD12 ILE A 106 20.086 -19.593 -3.313 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.997 -18.047 -2.436 1.00 25.24 H new ATOM 1676 N ALA A 107 20.382 -16.757 -7.862 1.00 3.35 N ATOM 1677 CA ALA A 107 21.080 -15.837 -8.752 1.00 34.20 C ATOM 1678 C ALA A 107 20.766 -16.144 -10.213 1.00 53.41 C ATOM 1679 O ALA A 107 21.547 -15.818 -11.107 1.00 32.33 O ATOM 1680 CB ALA A 107 22.579 -15.902 -8.508 1.00 64.22 C ATOM 0 H ALA A 107 20.875 -17.633 -7.689 1.00 3.35 H new ATOM 0 HA ALA A 107 20.732 -14.827 -8.536 1.00 34.20 H new ATOM 0 HB1 ALA A 107 23.087 -15.210 -9.179 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.792 -15.627 -7.475 1.00 64.22 H new ATOM 0 HB3 ALA A 107 22.934 -16.915 -8.695 1.00 64.22 H new ATOM 1686 N SER A 108 19.619 -16.773 -10.448 1.00 21.15 N ATOM 1687 CA SER A 108 19.204 -17.128 -11.800 1.00 44.42 C ATOM 1688 C SER A 108 18.117 -16.183 -12.301 1.00 32.13 C ATOM 1689 O SER A 108 18.214 -15.629 -13.397 1.00 64.31 O ATOM 1690 CB SER A 108 18.700 -18.571 -11.839 1.00 55.01 C ATOM 1691 OG SER A 108 18.633 -19.053 -13.171 1.00 5.42 O ATOM 0 H SER A 108 18.960 -17.047 -9.719 1.00 21.15 H new ATOM 0 HA SER A 108 20.070 -17.036 -12.455 1.00 44.42 H new ATOM 0 HB2 SER A 108 19.363 -19.207 -11.252 1.00 55.01 H new ATOM 0 HB3 SER A 108 17.714 -18.627 -11.379 1.00 55.01 H new ATOM 0 HG SER A 108 18.310 -19.978 -13.168 1.00 5.42 H new