USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 811 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 53 GLN : amide:sc= -0.0629 K(o=-1.3,f=-1.9) USER MOD Set 1.2: A 69 GLN : amide:sc= -1.27 K(o=-1.3,f=-4.4!) USER MOD Single : A 0 SER N :NH3+ -155:sc= 0.0222 (180deg=-0.0848) USER MOD Single : A 0 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= -0.0662 (180deg=-0.0662) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 136:sc= -0.603 (180deg=-2.84!) USER MOD Single : A 13 THR OG1 : rot 115:sc= 0.999 USER MOD Single : A 19 CYS SG : rot -88:sc= -0.916 USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 0.0297 (180deg=0.0075) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-2.1) USER MOD Single : A 28 LYS NZ :NH3+ -107:sc= 0 (180deg=-0.179) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= -0.0114 (180deg=-0.202) USER MOD Single : A 34 CYS SG : rot -59:sc= -7.45! USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -141:sc= -0.0869 (180deg=-0.96) USER MOD Single : A 55 LYS NZ :NH3+ -138:sc= -0.595 (180deg=-1.06) USER MOD Single : A 56 SER OG : rot -96:sc= 1.15 USER MOD Single : A 65 LYS NZ :NH3+ -108:sc= -1.4 (180deg=-3.97!) USER MOD Single : A 70 ASN : amide:sc= -6.83! C(o=-6.8!,f=-19!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 110:sc= -1.67 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 162:sc= 0.471 (180deg=0.213) USER MOD Single : A 106 MET CE :methyl -168:sc= -7.73! (180deg=-9.2!) USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 0 0.859 -0.076 1.929 1.00 64.24 N ATOM 2 CA SER A 0 2.086 0.159 1.186 1.00 71.34 C ATOM 3 C SER A 0 2.549 -1.137 0.517 1.00 71.22 C ATOM 4 O SER A 0 2.584 -2.190 1.152 1.00 12.22 O ATOM 5 CB SER A 0 3.185 0.708 2.097 1.00 63.20 C ATOM 6 OG SER A 0 4.487 0.440 1.584 1.00 65.50 O ATOM 0 H1 SER A 0 0.331 0.815 2.018 1.00 64.24 H new ATOM 0 H2 SER A 0 0.277 -0.775 1.425 1.00 64.24 H new ATOM 0 H3 SER A 0 1.091 -0.437 2.876 1.00 64.24 H new ATOM 0 HA SER A 0 1.883 0.905 0.417 1.00 71.34 H new ATOM 0 HB2 SER A 0 3.056 1.784 2.213 1.00 63.20 H new ATOM 0 HB3 SER A 0 3.088 0.266 3.089 1.00 63.20 H new ATOM 0 HG SER A 0 5.161 0.808 2.193 1.00 65.50 H new ATOM 12 N MET A 1 2.893 -1.018 -0.757 1.00 52.21 N ATOM 13 CA MET A 1 3.352 -2.167 -1.519 1.00 41.41 C ATOM 14 C MET A 1 4.713 -2.650 -1.015 1.00 65.12 C ATOM 15 O MET A 1 5.727 -2.478 -1.691 1.00 75.13 O ATOM 16 CB MET A 1 3.460 -1.789 -2.998 1.00 13.32 C ATOM 17 CG MET A 1 3.309 -3.022 -3.891 1.00 53.42 C ATOM 18 SD MET A 1 1.589 -3.274 -4.298 1.00 21.04 S ATOM 19 CE MET A 1 1.633 -4.993 -4.777 1.00 40.35 C ATOM 0 H MET A 1 2.863 -0.143 -1.281 1.00 52.21 H new ATOM 0 HA MET A 1 2.631 -2.975 -1.393 1.00 41.41 H new ATOM 0 HB2 MET A 1 2.691 -1.058 -3.247 1.00 13.32 H new ATOM 0 HB3 MET A 1 4.423 -1.315 -3.187 1.00 13.32 H new ATOM 0 HG2 MET A 1 3.892 -2.894 -4.803 1.00 53.42 H new ATOM 0 HG3 MET A 1 3.703 -3.901 -3.381 1.00 53.42 H new ATOM 0 HE1 MET A 1 0.632 -5.316 -5.064 1.00 40.35 H new ATOM 0 HE2 MET A 1 2.311 -5.118 -5.621 1.00 40.35 H new ATOM 0 HE3 MET A 1 1.983 -5.595 -3.939 1.00 40.35 H new ATOM 29 N ALA A 2 4.693 -3.245 0.168 1.00 23.43 N ATOM 30 CA ALA A 2 5.913 -3.755 0.771 1.00 45.13 C ATOM 31 C ALA A 2 6.181 -5.169 0.252 1.00 31.43 C ATOM 32 O ALA A 2 7.310 -5.499 -0.107 1.00 70.43 O ATOM 33 CB ALA A 2 5.789 -3.706 2.295 1.00 65.32 C ATOM 0 H ALA A 2 3.851 -3.386 0.726 1.00 23.43 H new ATOM 0 HA ALA A 2 6.766 -3.136 0.494 1.00 45.13 H new ATOM 0 HB1 ALA A 2 6.704 -4.089 2.747 1.00 65.32 H new ATOM 0 HB2 ALA A 2 5.630 -2.676 2.614 1.00 65.32 H new ATOM 0 HB3 ALA A 2 4.945 -4.318 2.611 1.00 65.32 H new ATOM 39 N PHE A 3 5.123 -5.967 0.230 1.00 2.13 N ATOM 40 CA PHE A 3 5.230 -7.338 -0.238 1.00 75.31 C ATOM 41 C PHE A 3 5.868 -7.395 -1.627 1.00 65.32 C ATOM 42 O PHE A 3 6.374 -8.438 -2.039 1.00 44.14 O ATOM 43 CB PHE A 3 3.807 -7.894 -0.321 1.00 74.21 C ATOM 44 CG PHE A 3 3.338 -8.598 0.954 1.00 22.20 C ATOM 45 CD1 PHE A 3 3.857 -9.809 1.292 1.00 4.01 C ATOM 46 CD2 PHE A 3 2.403 -8.013 1.749 1.00 32.43 C ATOM 47 CE1 PHE A 3 3.423 -10.462 2.475 1.00 33.45 C ATOM 48 CE2 PHE A 3 1.968 -8.667 2.933 1.00 41.13 C ATOM 49 CZ PHE A 3 2.487 -9.878 3.271 1.00 42.42 C ATOM 0 H PHE A 3 4.188 -5.690 0.529 1.00 2.13 H new ATOM 0 HA PHE A 3 5.854 -7.916 0.443 1.00 75.31 H new ATOM 0 HB2 PHE A 3 3.121 -7.077 -0.546 1.00 74.21 H new ATOM 0 HB3 PHE A 3 3.750 -8.596 -1.153 1.00 74.21 H new ATOM 0 HD1 PHE A 3 4.599 -10.274 0.660 1.00 4.01 H new ATOM 0 HD2 PHE A 3 1.991 -7.051 1.481 1.00 32.43 H new ATOM 0 HE1 PHE A 3 3.836 -11.423 2.743 1.00 33.45 H new ATOM 0 HE2 PHE A 3 1.225 -8.203 3.565 1.00 41.13 H new ATOM 0 HZ PHE A 3 2.156 -10.376 4.171 1.00 42.42 H new ATOM 59 N ALA A 4 5.824 -6.261 -2.311 1.00 24.22 N ATOM 60 CA ALA A 4 6.393 -6.169 -3.645 1.00 13.11 C ATOM 61 C ALA A 4 7.837 -6.673 -3.615 1.00 41.52 C ATOM 62 O ALA A 4 8.383 -7.063 -4.646 1.00 4.12 O ATOM 63 CB ALA A 4 6.288 -4.727 -4.146 1.00 1.02 C ATOM 0 H ALA A 4 5.403 -5.398 -1.966 1.00 24.22 H new ATOM 0 HA ALA A 4 5.840 -6.798 -4.343 1.00 13.11 H new ATOM 0 HB1 ALA A 4 6.715 -4.657 -5.147 1.00 1.02 H new ATOM 0 HB2 ALA A 4 5.240 -4.428 -4.177 1.00 1.02 H new ATOM 0 HB3 ALA A 4 6.834 -4.067 -3.472 1.00 1.02 H new ATOM 69 N SER A 5 8.414 -6.647 -2.423 1.00 64.50 N ATOM 70 CA SER A 5 9.785 -7.097 -2.246 1.00 12.35 C ATOM 71 C SER A 5 9.800 -8.526 -1.699 1.00 4.44 C ATOM 72 O SER A 5 10.564 -9.366 -2.170 1.00 64.33 O ATOM 73 CB SER A 5 10.554 -6.162 -1.310 1.00 40.10 C ATOM 74 OG SER A 5 11.944 -6.472 -1.270 1.00 44.15 O ATOM 0 H SER A 5 7.958 -6.322 -1.571 1.00 64.50 H new ATOM 0 HA SER A 5 10.279 -7.082 -3.218 1.00 12.35 H new ATOM 0 HB2 SER A 5 10.422 -5.131 -1.638 1.00 40.10 H new ATOM 0 HB3 SER A 5 10.138 -6.232 -0.305 1.00 40.10 H new ATOM 0 HG SER A 5 12.400 -5.852 -0.663 1.00 44.15 H new ATOM 80 N VAL A 6 8.948 -8.756 -0.711 1.00 73.42 N ATOM 81 CA VAL A 6 8.854 -10.069 -0.095 1.00 72.00 C ATOM 82 C VAL A 6 8.366 -11.081 -1.133 1.00 64.44 C ATOM 83 O VAL A 6 9.081 -12.024 -1.469 1.00 61.45 O ATOM 84 CB VAL A 6 7.957 -10.003 1.143 1.00 74.13 C ATOM 85 CG1 VAL A 6 8.071 -11.284 1.971 1.00 31.04 C ATOM 86 CG2 VAL A 6 8.281 -8.771 1.990 1.00 51.02 C ATOM 0 H VAL A 6 8.317 -8.056 -0.322 1.00 73.42 H new ATOM 0 HA VAL A 6 9.834 -10.401 0.247 1.00 72.00 H new ATOM 0 HB VAL A 6 6.925 -9.914 0.805 1.00 74.13 H new ATOM 0 HG11 VAL A 6 7.424 -11.211 2.845 1.00 31.04 H new ATOM 0 HG12 VAL A 6 7.767 -12.137 1.365 1.00 31.04 H new ATOM 0 HG13 VAL A 6 9.103 -11.418 2.294 1.00 31.04 H new ATOM 0 HG21 VAL A 6 7.629 -8.748 2.863 1.00 51.02 H new ATOM 0 HG22 VAL A 6 9.321 -8.815 2.314 1.00 51.02 H new ATOM 0 HG23 VAL A 6 8.124 -7.870 1.397 1.00 51.02 H new ATOM 96 N LEU A 7 7.153 -10.852 -1.613 1.00 12.42 N ATOM 97 CA LEU A 7 6.561 -11.732 -2.606 1.00 44.12 C ATOM 98 C LEU A 7 6.568 -11.034 -3.968 1.00 21.41 C ATOM 99 O LEU A 7 7.082 -9.925 -4.098 1.00 41.54 O ATOM 100 CB LEU A 7 5.173 -12.190 -2.157 1.00 34.41 C ATOM 101 CG LEU A 7 5.111 -12.931 -0.819 1.00 71.04 C ATOM 102 CD1 LEU A 7 3.722 -12.812 -0.190 1.00 54.42 C ATOM 103 CD2 LEU A 7 5.544 -14.390 -0.980 1.00 1.41 C ATOM 0 H LEU A 7 6.563 -10.069 -1.332 1.00 12.42 H new ATOM 0 HA LEU A 7 7.153 -12.642 -2.710 1.00 44.12 H new ATOM 0 HB2 LEU A 7 4.526 -11.315 -2.095 1.00 34.41 H new ATOM 0 HB3 LEU A 7 4.759 -12.839 -2.929 1.00 34.41 H new ATOM 0 HG LEU A 7 5.816 -12.459 -0.134 1.00 71.04 H new ATOM 0 HD11 LEU A 7 3.705 -13.347 0.759 1.00 54.42 H new ATOM 0 HD12 LEU A 7 3.489 -11.761 -0.018 1.00 54.42 H new ATOM 0 HD13 LEU A 7 2.980 -13.243 -0.862 1.00 54.42 H new ATOM 0 HD21 LEU A 7 5.491 -14.894 -0.015 1.00 1.41 H new ATOM 0 HD22 LEU A 7 4.882 -14.890 -1.687 1.00 1.41 H new ATOM 0 HD23 LEU A 7 6.568 -14.427 -1.353 1.00 1.41 H new ATOM 115 N LYS A 8 5.991 -11.714 -4.948 1.00 62.10 N ATOM 116 CA LYS A 8 5.924 -11.174 -6.295 1.00 42.41 C ATOM 117 C LYS A 8 4.647 -10.345 -6.445 1.00 34.33 C ATOM 118 O LYS A 8 3.545 -10.856 -6.249 1.00 31.10 O ATOM 119 CB LYS A 8 6.055 -12.294 -7.329 1.00 44.20 C ATOM 120 CG LYS A 8 6.523 -11.743 -8.678 1.00 14.01 C ATOM 121 CD LYS A 8 6.197 -12.718 -9.811 1.00 21.42 C ATOM 122 CE LYS A 8 7.196 -13.877 -9.840 1.00 75.42 C ATOM 123 NZ LYS A 8 6.893 -14.849 -8.766 1.00 30.41 N ATOM 0 H LYS A 8 5.566 -12.634 -4.836 1.00 62.10 H new ATOM 0 HA LYS A 8 6.763 -10.503 -6.478 1.00 42.41 H new ATOM 0 HB2 LYS A 8 6.763 -13.042 -6.972 1.00 44.20 H new ATOM 0 HB3 LYS A 8 5.095 -12.796 -7.450 1.00 44.20 H new ATOM 0 HG2 LYS A 8 6.042 -10.784 -8.869 1.00 14.01 H new ATOM 0 HG3 LYS A 8 7.597 -11.561 -8.648 1.00 14.01 H new ATOM 0 HD2 LYS A 8 5.187 -13.107 -9.682 1.00 21.42 H new ATOM 0 HD3 LYS A 8 6.217 -12.192 -10.765 1.00 21.42 H new ATOM 0 HE2 LYS A 8 7.158 -14.374 -10.810 1.00 75.42 H new ATOM 0 HE3 LYS A 8 8.209 -13.495 -9.717 1.00 75.42 H new ATOM 0 HZ1 LYS A 8 6.959 -15.816 -9.144 1.00 30.41 H new ATOM 0 HZ2 LYS A 8 7.576 -14.733 -7.990 1.00 30.41 H new ATOM 0 HZ3 LYS A 8 5.931 -14.682 -8.408 1.00 30.41 H new ATOM 136 N ASP A 9 4.837 -9.080 -6.790 1.00 75.52 N ATOM 137 CA ASP A 9 3.713 -8.176 -6.968 1.00 70.43 C ATOM 138 C ASP A 9 2.654 -8.852 -7.841 1.00 73.05 C ATOM 139 O ASP A 9 1.467 -8.547 -7.732 1.00 43.55 O ATOM 140 CB ASP A 9 4.149 -6.887 -7.667 1.00 10.14 C ATOM 141 CG ASP A 9 5.044 -7.086 -8.891 1.00 44.42 C ATOM 142 OD1 ASP A 9 4.725 -7.873 -9.795 1.00 4.43 O ATOM 143 OD2 ASP A 9 6.126 -6.382 -8.896 1.00 14.11 O ATOM 0 H ASP A 9 5.752 -8.660 -6.951 1.00 75.52 H new ATOM 0 HA ASP A 9 3.314 -7.935 -5.983 1.00 70.43 H new ATOM 0 HB2 ASP A 9 3.258 -6.338 -7.972 1.00 10.14 H new ATOM 0 HB3 ASP A 9 4.677 -6.262 -6.947 1.00 10.14 H new ATOM 149 N ALA A 10 3.121 -9.758 -8.688 1.00 53.22 N ATOM 150 CA ALA A 10 2.228 -10.479 -9.580 1.00 24.24 C ATOM 151 C ALA A 10 1.499 -11.569 -8.792 1.00 22.43 C ATOM 152 O ALA A 10 0.308 -11.796 -8.996 1.00 14.14 O ATOM 153 CB ALA A 10 3.028 -11.045 -10.755 1.00 23.24 C ATOM 0 H ALA A 10 4.106 -10.009 -8.775 1.00 53.22 H new ATOM 0 HA ALA A 10 1.473 -9.809 -9.992 1.00 24.24 H new ATOM 0 HB1 ALA A 10 2.359 -11.586 -11.424 1.00 23.24 H new ATOM 0 HB2 ALA A 10 3.503 -10.228 -11.299 1.00 23.24 H new ATOM 0 HB3 ALA A 10 3.793 -11.725 -10.380 1.00 23.24 H new ATOM 159 N GLU A 11 2.246 -12.216 -7.908 1.00 55.31 N ATOM 160 CA GLU A 11 1.685 -13.277 -7.089 1.00 0.34 C ATOM 161 C GLU A 11 0.632 -12.710 -6.135 1.00 34.25 C ATOM 162 O GLU A 11 -0.506 -13.178 -6.112 1.00 1.31 O ATOM 163 CB GLU A 11 2.783 -14.013 -6.318 1.00 41.24 C ATOM 164 CG GLU A 11 3.552 -14.966 -7.236 1.00 35.13 C ATOM 165 CD GLU A 11 2.779 -16.271 -7.441 1.00 42.12 C ATOM 166 OE1 GLU A 11 2.577 -16.697 -8.588 1.00 35.32 O ATOM 167 OE2 GLU A 11 2.385 -16.848 -6.357 1.00 10.43 O ATOM 0 H GLU A 11 3.234 -12.026 -7.742 1.00 55.31 H new ATOM 0 HA GLU A 11 1.201 -14.000 -7.746 1.00 0.34 H new ATOM 0 HB2 GLU A 11 3.471 -13.291 -5.879 1.00 41.24 H new ATOM 0 HB3 GLU A 11 2.341 -14.573 -5.494 1.00 41.24 H new ATOM 0 HG2 GLU A 11 3.727 -14.487 -8.199 1.00 35.13 H new ATOM 0 HG3 GLU A 11 4.530 -15.182 -6.805 1.00 35.13 H new ATOM 175 N VAL A 12 1.048 -11.711 -5.370 1.00 32.40 N ATOM 176 CA VAL A 12 0.154 -11.076 -4.416 1.00 62.33 C ATOM 177 C VAL A 12 -1.029 -10.460 -5.165 1.00 50.21 C ATOM 178 O VAL A 12 -2.172 -10.570 -4.725 1.00 12.43 O ATOM 179 CB VAL A 12 0.926 -10.058 -3.575 1.00 15.52 C ATOM 180 CG1 VAL A 12 2.263 -10.634 -3.106 1.00 33.14 C ATOM 181 CG2 VAL A 12 1.131 -8.753 -4.347 1.00 4.44 C ATOM 0 H VAL A 12 1.992 -11.326 -5.391 1.00 32.40 H new ATOM 0 HA VAL A 12 -0.250 -11.812 -3.721 1.00 62.33 H new ATOM 0 HB VAL A 12 0.330 -9.834 -2.690 1.00 15.52 H new ATOM 0 HG11 VAL A 12 2.791 -9.889 -2.510 1.00 33.14 H new ATOM 0 HG12 VAL A 12 2.084 -11.523 -2.501 1.00 33.14 H new ATOM 0 HG13 VAL A 12 2.868 -10.901 -3.972 1.00 33.14 H new ATOM 0 HG21 VAL A 12 1.682 -8.046 -3.727 1.00 4.44 H new ATOM 0 HG22 VAL A 12 1.695 -8.954 -5.258 1.00 4.44 H new ATOM 0 HG23 VAL A 12 0.162 -8.328 -4.607 1.00 4.44 H new ATOM 191 N THR A 13 -0.714 -9.825 -6.284 1.00 42.34 N ATOM 192 CA THR A 13 -1.737 -9.191 -7.099 1.00 3.44 C ATOM 193 C THR A 13 -2.924 -10.135 -7.294 1.00 71.43 C ATOM 194 O THR A 13 -4.069 -9.760 -7.045 1.00 44.31 O ATOM 195 CB THR A 13 -1.089 -8.749 -8.412 1.00 42.13 C ATOM 196 OG1 THR A 13 -0.624 -7.429 -8.143 1.00 65.13 O ATOM 197 CG2 THR A 13 -2.111 -8.562 -9.535 1.00 42.15 C ATOM 0 H THR A 13 0.235 -9.736 -6.646 1.00 42.34 H new ATOM 0 HA THR A 13 -2.143 -8.307 -6.607 1.00 3.44 H new ATOM 0 HB THR A 13 -0.346 -9.486 -8.716 1.00 42.13 H new ATOM 0 HG1 THR A 13 0.355 -7.412 -8.184 1.00 65.13 H new ATOM 0 HG21 THR A 13 -1.599 -8.248 -10.445 1.00 42.15 H new ATOM 0 HG22 THR A 13 -2.628 -9.504 -9.717 1.00 42.15 H new ATOM 0 HG23 THR A 13 -2.835 -7.800 -9.245 1.00 42.15 H new ATOM 205 N ALA A 14 -2.611 -11.344 -7.739 1.00 1.44 N ATOM 206 CA ALA A 14 -3.638 -12.345 -7.971 1.00 22.14 C ATOM 207 C ALA A 14 -4.388 -12.612 -6.664 1.00 62.41 C ATOM 208 O ALA A 14 -5.552 -13.008 -6.683 1.00 32.35 O ATOM 209 CB ALA A 14 -2.997 -13.610 -8.544 1.00 62.33 C ATOM 0 H ALA A 14 -1.661 -11.652 -7.945 1.00 1.44 H new ATOM 0 HA ALA A 14 -4.364 -11.988 -8.701 1.00 22.14 H new ATOM 0 HB1 ALA A 14 -3.767 -14.361 -8.718 1.00 62.33 H new ATOM 0 HB2 ALA A 14 -2.502 -13.373 -9.486 1.00 62.33 H new ATOM 0 HB3 ALA A 14 -2.264 -13.999 -7.837 1.00 62.33 H new ATOM 215 N ALA A 15 -3.690 -12.385 -5.561 1.00 63.22 N ATOM 216 CA ALA A 15 -4.275 -12.597 -4.248 1.00 51.42 C ATOM 217 C ALA A 15 -5.280 -11.480 -3.957 1.00 31.30 C ATOM 218 O ALA A 15 -6.206 -11.664 -3.169 1.00 34.31 O ATOM 219 CB ALA A 15 -3.164 -12.669 -3.199 1.00 44.32 C ATOM 0 H ALA A 15 -2.724 -12.056 -5.550 1.00 63.22 H new ATOM 0 HA ALA A 15 -4.814 -13.544 -4.216 1.00 51.42 H new ATOM 0 HB1 ALA A 15 -3.603 -12.828 -2.214 1.00 44.32 H new ATOM 0 HB2 ALA A 15 -2.494 -13.495 -3.435 1.00 44.32 H new ATOM 0 HB3 ALA A 15 -2.602 -11.735 -3.199 1.00 44.32 H new ATOM 225 N LEU A 16 -5.063 -10.347 -4.609 1.00 30.44 N ATOM 226 CA LEU A 16 -5.938 -9.201 -4.429 1.00 73.45 C ATOM 227 C LEU A 16 -7.150 -9.341 -5.354 1.00 4.04 C ATOM 228 O LEU A 16 -8.239 -8.870 -5.031 1.00 2.44 O ATOM 229 CB LEU A 16 -5.162 -7.898 -4.626 1.00 65.03 C ATOM 230 CG LEU A 16 -4.238 -7.488 -3.477 1.00 51.44 C ATOM 231 CD1 LEU A 16 -3.043 -6.685 -3.995 1.00 23.11 C ATOM 232 CD2 LEU A 16 -5.012 -6.731 -2.396 1.00 4.31 C ATOM 0 H LEU A 16 -4.294 -10.198 -5.263 1.00 30.44 H new ATOM 0 HA LEU A 16 -6.317 -9.167 -3.408 1.00 73.45 H new ATOM 0 HB2 LEU A 16 -4.564 -7.988 -5.533 1.00 65.03 H new ATOM 0 HB3 LEU A 16 -5.878 -7.094 -4.795 1.00 65.03 H new ATOM 0 HG LEU A 16 -3.842 -8.393 -3.016 1.00 51.44 H new ATOM 0 HD11 LEU A 16 -2.402 -6.406 -3.159 1.00 23.11 H new ATOM 0 HD12 LEU A 16 -2.475 -7.292 -4.701 1.00 23.11 H new ATOM 0 HD13 LEU A 16 -3.399 -5.784 -4.495 1.00 23.11 H new ATOM 0 HD21 LEU A 16 -4.333 -6.451 -1.591 1.00 4.31 H new ATOM 0 HD22 LEU A 16 -5.454 -5.833 -2.827 1.00 4.31 H new ATOM 0 HD23 LEU A 16 -5.801 -7.369 -1.999 1.00 4.31 H new ATOM 244 N ASP A 17 -6.919 -9.991 -6.485 1.00 2.30 N ATOM 245 CA ASP A 17 -7.978 -10.198 -7.458 1.00 63.32 C ATOM 246 C ASP A 17 -8.898 -11.320 -6.973 1.00 21.03 C ATOM 247 O ASP A 17 -10.011 -11.475 -7.473 1.00 12.45 O ATOM 248 CB ASP A 17 -7.405 -10.611 -8.816 1.00 0.24 C ATOM 249 CG ASP A 17 -8.298 -10.296 -10.017 1.00 53.31 C ATOM 250 OD1 ASP A 17 -7.887 -9.592 -10.951 1.00 52.15 O ATOM 251 OD2 ASP A 17 -9.479 -10.813 -9.969 1.00 71.10 O ATOM 0 H ASP A 17 -6.014 -10.381 -6.749 1.00 2.30 H new ATOM 0 HA ASP A 17 -8.524 -9.261 -7.566 1.00 63.32 H new ATOM 0 HB2 ASP A 17 -6.445 -10.113 -8.955 1.00 0.24 H new ATOM 0 HB3 ASP A 17 -7.208 -11.683 -8.800 1.00 0.24 H new ATOM 257 N GLY A 18 -8.399 -12.074 -6.004 1.00 41.03 N ATOM 258 CA GLY A 18 -9.162 -13.177 -5.446 1.00 14.13 C ATOM 259 C GLY A 18 -9.996 -12.716 -4.248 1.00 43.01 C ATOM 260 O GLY A 18 -10.932 -13.401 -3.838 1.00 42.34 O ATOM 0 H GLY A 18 -7.476 -11.942 -5.591 1.00 41.03 H new ATOM 0 HA2 GLY A 18 -9.817 -13.594 -6.211 1.00 14.13 H new ATOM 0 HA3 GLY A 18 -8.485 -13.973 -5.137 1.00 14.13 H new ATOM 264 N CYS A 19 -9.625 -11.559 -3.721 1.00 12.55 N ATOM 265 CA CYS A 19 -10.327 -10.998 -2.578 1.00 62.11 C ATOM 266 C CYS A 19 -10.744 -9.567 -2.925 1.00 63.50 C ATOM 267 O CYS A 19 -10.948 -8.744 -2.035 1.00 13.42 O ATOM 268 CB CYS A 19 -9.475 -11.052 -1.309 1.00 25.33 C ATOM 269 SG CYS A 19 -7.921 -10.118 -1.558 1.00 24.51 S ATOM 0 H CYS A 19 -8.848 -10.994 -4.064 1.00 12.55 H new ATOM 0 HA CYS A 19 -11.215 -11.593 -2.366 1.00 62.11 H new ATOM 0 HB2 CYS A 19 -10.030 -10.633 -0.470 1.00 25.33 H new ATOM 0 HB3 CYS A 19 -9.250 -12.088 -1.056 1.00 25.33 H new ATOM 0 HG CYS A 19 -7.016 -10.907 -2.056 1.00 24.51 H new ATOM 275 N LYS A 20 -10.857 -9.316 -4.221 1.00 13.11 N ATOM 276 CA LYS A 20 -11.246 -7.999 -4.696 1.00 72.13 C ATOM 277 C LYS A 20 -12.735 -7.781 -4.420 1.00 71.01 C ATOM 278 O LYS A 20 -13.140 -6.700 -3.996 1.00 44.40 O ATOM 279 CB LYS A 20 -10.862 -7.825 -6.167 1.00 64.30 C ATOM 280 CG LYS A 20 -10.453 -6.380 -6.460 1.00 32.21 C ATOM 281 CD LYS A 20 -10.408 -6.118 -7.967 1.00 2.14 C ATOM 282 CE LYS A 20 -9.448 -7.085 -8.663 1.00 4.34 C ATOM 283 NZ LYS A 20 -9.310 -6.737 -10.095 1.00 2.14 N ATOM 0 H LYS A 20 -10.686 -10.002 -4.956 1.00 13.11 H new ATOM 0 HA LYS A 20 -10.704 -7.224 -4.155 1.00 72.13 H new ATOM 0 HB2 LYS A 20 -10.040 -8.497 -6.414 1.00 64.30 H new ATOM 0 HB3 LYS A 20 -11.703 -8.104 -6.802 1.00 64.30 H new ATOM 0 HG2 LYS A 20 -11.159 -5.696 -5.989 1.00 32.21 H new ATOM 0 HG3 LYS A 20 -9.475 -6.179 -6.023 1.00 32.21 H new ATOM 0 HD2 LYS A 20 -11.407 -6.226 -8.388 1.00 2.14 H new ATOM 0 HD3 LYS A 20 -10.093 -5.091 -8.152 1.00 2.14 H new ATOM 0 HE2 LYS A 20 -8.472 -7.050 -8.178 1.00 4.34 H new ATOM 0 HE3 LYS A 20 -9.816 -8.106 -8.565 1.00 4.34 H new ATOM 0 HZ1 LYS A 20 -8.856 -7.524 -10.601 1.00 2.14 H new ATOM 0 HZ2 LYS A 20 -10.251 -6.561 -10.502 1.00 2.14 H new ATOM 0 HZ3 LYS A 20 -8.726 -5.881 -10.190 1.00 2.14 H new ATOM 296 N ALA A 21 -13.510 -8.826 -4.672 1.00 11.33 N ATOM 297 CA ALA A 21 -14.946 -8.762 -4.455 1.00 64.04 C ATOM 298 C ALA A 21 -15.229 -8.718 -2.953 1.00 31.44 C ATOM 299 O ALA A 21 -14.391 -9.122 -2.147 1.00 54.13 O ATOM 300 CB ALA A 21 -15.619 -9.953 -5.141 1.00 43.54 C ATOM 0 H ALA A 21 -13.171 -9.721 -5.024 1.00 11.33 H new ATOM 0 HA ALA A 21 -15.361 -7.855 -4.895 1.00 64.04 H new ATOM 0 HB1 ALA A 21 -16.696 -9.906 -4.979 1.00 43.54 H new ATOM 0 HB2 ALA A 21 -15.412 -9.922 -6.211 1.00 43.54 H new ATOM 0 HB3 ALA A 21 -15.230 -10.881 -4.723 1.00 43.54 H new ATOM 306 N ALA A 22 -16.413 -8.225 -2.620 1.00 60.12 N ATOM 307 CA ALA A 22 -16.817 -8.124 -1.228 1.00 54.53 C ATOM 308 C ALA A 22 -17.310 -9.489 -0.744 1.00 55.50 C ATOM 309 O ALA A 22 -17.744 -10.316 -1.545 1.00 5.14 O ATOM 310 CB ALA A 22 -17.882 -7.034 -1.084 1.00 70.20 C ATOM 0 H ALA A 22 -17.105 -7.891 -3.290 1.00 60.12 H new ATOM 0 HA ALA A 22 -15.971 -7.839 -0.602 1.00 54.53 H new ATOM 0 HB1 ALA A 22 -18.186 -6.958 -0.040 1.00 70.20 H new ATOM 0 HB2 ALA A 22 -17.472 -6.079 -1.414 1.00 70.20 H new ATOM 0 HB3 ALA A 22 -18.748 -7.288 -1.696 1.00 70.20 H new ATOM 316 N GLY A 23 -17.228 -9.682 0.564 1.00 13.31 N ATOM 317 CA GLY A 23 -17.661 -10.932 1.165 1.00 62.24 C ATOM 318 C GLY A 23 -17.190 -12.130 0.337 1.00 43.31 C ATOM 319 O GLY A 23 -17.820 -13.186 0.352 1.00 11.21 O ATOM 0 H GLY A 23 -16.868 -8.993 1.225 1.00 13.31 H new ATOM 0 HA2 GLY A 23 -17.267 -11.008 2.178 1.00 62.24 H new ATOM 0 HA3 GLY A 23 -18.748 -10.945 1.244 1.00 62.24 H new ATOM 323 N SER A 24 -16.085 -11.925 -0.366 1.00 33.03 N ATOM 324 CA SER A 24 -15.522 -12.975 -1.198 1.00 54.30 C ATOM 325 C SER A 24 -14.036 -13.154 -0.881 1.00 15.14 C ATOM 326 O SER A 24 -13.321 -13.839 -1.609 1.00 64.14 O ATOM 327 CB SER A 24 -15.714 -12.662 -2.683 1.00 61.04 C ATOM 328 OG SER A 24 -15.828 -13.846 -3.468 1.00 22.31 O ATOM 0 H SER A 24 -15.565 -11.048 -0.376 1.00 33.03 H new ATOM 0 HA SER A 24 -16.048 -13.904 -0.979 1.00 54.30 H new ATOM 0 HB2 SER A 24 -16.609 -12.054 -2.812 1.00 61.04 H new ATOM 0 HB3 SER A 24 -14.872 -12.070 -3.040 1.00 61.04 H new ATOM 0 HG SER A 24 -15.951 -13.604 -4.410 1.00 22.31 H new ATOM 334 N PHE A 25 -13.617 -12.526 0.208 1.00 62.10 N ATOM 335 CA PHE A 25 -12.229 -12.608 0.631 1.00 50.41 C ATOM 336 C PHE A 25 -11.992 -13.844 1.500 1.00 34.31 C ATOM 337 O PHE A 25 -12.646 -14.020 2.527 1.00 3.44 O ATOM 338 CB PHE A 25 -11.939 -11.354 1.459 1.00 74.02 C ATOM 339 CG PHE A 25 -10.689 -11.462 2.334 1.00 12.42 C ATOM 340 CD1 PHE A 25 -9.587 -12.108 1.869 1.00 43.23 C ATOM 341 CD2 PHE A 25 -10.680 -10.911 3.578 1.00 74.12 C ATOM 342 CE1 PHE A 25 -8.426 -12.208 2.681 1.00 14.42 C ATOM 343 CE2 PHE A 25 -9.520 -11.011 4.390 1.00 31.13 C ATOM 344 CZ PHE A 25 -8.418 -11.657 3.925 1.00 64.22 C ATOM 0 H PHE A 25 -14.214 -11.959 0.810 1.00 62.10 H new ATOM 0 HA PHE A 25 -11.579 -12.680 -0.241 1.00 50.41 H new ATOM 0 HB2 PHE A 25 -11.826 -10.504 0.786 1.00 74.02 H new ATOM 0 HB3 PHE A 25 -12.799 -11.144 2.096 1.00 74.02 H new ATOM 0 HD1 PHE A 25 -9.594 -12.545 0.882 1.00 43.23 H new ATOM 0 HD2 PHE A 25 -11.555 -10.398 3.948 1.00 74.12 H new ATOM 0 HE1 PHE A 25 -7.550 -12.721 2.311 1.00 14.42 H new ATOM 0 HE2 PHE A 25 -9.513 -10.574 5.377 1.00 31.13 H new ATOM 0 HZ PHE A 25 -7.536 -11.733 4.543 1.00 64.22 H new ATOM 354 N ASP A 26 -11.056 -14.670 1.056 1.00 72.00 N ATOM 355 CA ASP A 26 -10.725 -15.885 1.780 1.00 33.35 C ATOM 356 C ASP A 26 -9.254 -15.841 2.197 1.00 1.44 C ATOM 357 O ASP A 26 -8.378 -16.263 1.444 1.00 73.21 O ATOM 358 CB ASP A 26 -10.931 -17.122 0.904 1.00 61.30 C ATOM 359 CG ASP A 26 -12.343 -17.711 0.938 1.00 64.34 C ATOM 360 OD1 ASP A 26 -12.976 -17.791 2.000 1.00 14.54 O ATOM 361 OD2 ASP A 26 -12.797 -18.104 -0.204 1.00 65.41 O ATOM 0 H ASP A 26 -10.516 -14.521 0.203 1.00 72.00 H new ATOM 0 HA ASP A 26 -11.378 -15.947 2.650 1.00 33.35 H new ATOM 0 HB2 ASP A 26 -10.686 -16.864 -0.126 1.00 61.30 H new ATOM 0 HB3 ASP A 26 -10.225 -17.891 1.216 1.00 61.30 H new ATOM 367 N HIS A 27 -9.027 -15.325 3.397 1.00 51.35 N ATOM 368 CA HIS A 27 -7.677 -15.219 3.923 1.00 61.22 C ATOM 369 C HIS A 27 -6.886 -16.478 3.562 1.00 64.02 C ATOM 370 O HIS A 27 -5.874 -16.402 2.866 1.00 55.24 O ATOM 371 CB HIS A 27 -7.700 -14.945 5.428 1.00 53.23 C ATOM 372 CG HIS A 27 -8.768 -15.708 6.175 1.00 62.43 C ATOM 373 ND1 HIS A 27 -8.509 -16.882 6.861 1.00 4.21 N ATOM 374 CD2 HIS A 27 -10.098 -15.453 6.336 1.00 21.42 C ATOM 375 CE1 HIS A 27 -9.639 -17.306 7.406 1.00 12.24 C ATOM 376 NE2 HIS A 27 -10.623 -16.420 7.080 1.00 51.55 N ATOM 0 H HIS A 27 -9.756 -14.976 4.019 1.00 51.35 H new ATOM 0 HA HIS A 27 -7.170 -14.369 3.466 1.00 61.22 H new ATOM 0 HB2 HIS A 27 -6.726 -15.198 5.848 1.00 53.23 H new ATOM 0 HB3 HIS A 27 -7.850 -13.878 5.590 1.00 53.23 H new ATOM 0 HD2 HIS A 27 -10.633 -14.608 5.928 1.00 21.42 H new ATOM 0 HE1 HIS A 27 -9.760 -18.197 8.004 1.00 12.24 H new ATOM 0 HE2 HIS A 27 -11.601 -16.489 7.361 1.00 51.55 H new ATOM 384 N LYS A 28 -7.376 -17.607 4.052 1.00 71.12 N ATOM 385 CA LYS A 28 -6.728 -18.881 3.790 1.00 44.33 C ATOM 386 C LYS A 28 -6.257 -18.918 2.334 1.00 22.44 C ATOM 387 O LYS A 28 -5.106 -19.253 2.059 1.00 23.31 O ATOM 388 CB LYS A 28 -7.652 -20.040 4.167 1.00 24.23 C ATOM 389 CG LYS A 28 -7.630 -20.290 5.677 1.00 45.42 C ATOM 390 CD LYS A 28 -8.890 -21.029 6.129 1.00 55.12 C ATOM 391 CE LYS A 28 -9.238 -22.162 5.161 1.00 31.14 C ATOM 392 NZ LYS A 28 -8.130 -23.140 5.089 1.00 23.33 N ATOM 0 H LYS A 28 -8.215 -17.666 4.629 1.00 71.12 H new ATOM 0 HA LYS A 28 -5.843 -18.994 4.415 1.00 44.33 H new ATOM 0 HB2 LYS A 28 -8.670 -19.818 3.846 1.00 24.23 H new ATOM 0 HB3 LYS A 28 -7.342 -20.943 3.641 1.00 24.23 H new ATOM 0 HG2 LYS A 28 -6.748 -20.874 5.940 1.00 45.42 H new ATOM 0 HG3 LYS A 28 -7.552 -19.340 6.205 1.00 45.42 H new ATOM 0 HD2 LYS A 28 -8.739 -21.434 7.130 1.00 55.12 H new ATOM 0 HD3 LYS A 28 -9.724 -20.330 6.191 1.00 55.12 H new ATOM 0 HE2 LYS A 28 -10.150 -22.661 5.488 1.00 31.14 H new ATOM 0 HE3 LYS A 28 -9.436 -21.754 4.170 1.00 31.14 H new ATOM 0 HZ1 LYS A 28 -7.637 -23.040 4.179 1.00 23.33 H new ATOM 0 HZ2 LYS A 28 -7.461 -22.965 5.866 1.00 23.33 H new ATOM 0 HZ3 LYS A 28 -8.512 -24.104 5.172 1.00 23.33 H new ATOM 405 N LYS A 29 -7.171 -18.570 1.441 1.00 71.31 N ATOM 406 CA LYS A 29 -6.864 -18.560 0.021 1.00 61.13 C ATOM 407 C LYS A 29 -5.724 -17.575 -0.243 1.00 4.31 C ATOM 408 O LYS A 29 -4.709 -17.938 -0.835 1.00 62.33 O ATOM 409 CB LYS A 29 -8.125 -18.275 -0.798 1.00 64.31 C ATOM 410 CG LYS A 29 -8.846 -19.574 -1.163 1.00 73.13 C ATOM 411 CD LYS A 29 -8.973 -20.492 0.054 1.00 11.12 C ATOM 412 CE LYS A 29 -10.172 -21.431 -0.090 1.00 33.03 C ATOM 413 NZ LYS A 29 -9.791 -22.647 -0.843 1.00 52.41 N ATOM 0 H LYS A 29 -8.125 -18.293 1.673 1.00 71.31 H new ATOM 0 HA LYS A 29 -6.518 -19.542 -0.301 1.00 61.13 H new ATOM 0 HB2 LYS A 29 -8.795 -17.631 -0.229 1.00 64.31 H new ATOM 0 HB3 LYS A 29 -7.859 -17.735 -1.707 1.00 64.31 H new ATOM 0 HG2 LYS A 29 -9.837 -19.346 -1.556 1.00 73.13 H new ATOM 0 HG3 LYS A 29 -8.300 -20.087 -1.954 1.00 73.13 H new ATOM 0 HD2 LYS A 29 -8.060 -21.077 0.170 1.00 11.12 H new ATOM 0 HD3 LYS A 29 -9.083 -19.892 0.957 1.00 11.12 H new ATOM 0 HE2 LYS A 29 -10.544 -21.709 0.896 1.00 33.03 H new ATOM 0 HE3 LYS A 29 -10.984 -20.917 -0.604 1.00 33.03 H new ATOM 0 HZ1 LYS A 29 -10.616 -23.273 -0.932 1.00 52.41 H new ATOM 0 HZ2 LYS A 29 -9.457 -22.378 -1.791 1.00 52.41 H new ATOM 0 HZ3 LYS A 29 -9.031 -23.145 -0.337 1.00 52.41 H new ATOM 426 N PHE A 30 -5.929 -16.347 0.210 1.00 40.42 N ATOM 427 CA PHE A 30 -4.931 -15.306 0.030 1.00 23.12 C ATOM 428 C PHE A 30 -3.525 -15.841 0.308 1.00 24.43 C ATOM 429 O PHE A 30 -2.679 -15.870 -0.585 1.00 14.41 O ATOM 430 CB PHE A 30 -5.251 -14.200 1.038 1.00 71.32 C ATOM 431 CG PHE A 30 -4.701 -12.826 0.650 1.00 60.34 C ATOM 432 CD1 PHE A 30 -3.368 -12.664 0.432 1.00 73.34 C ATOM 433 CD2 PHE A 30 -5.545 -11.767 0.523 1.00 65.23 C ATOM 434 CE1 PHE A 30 -2.858 -11.389 0.071 1.00 22.25 C ATOM 435 CE2 PHE A 30 -5.034 -10.492 0.163 1.00 60.05 C ATOM 436 CZ PHE A 30 -3.701 -10.330 -0.055 1.00 53.15 C ATOM 0 H PHE A 30 -6.772 -16.049 0.702 1.00 40.42 H new ATOM 0 HA PHE A 30 -4.956 -14.941 -0.997 1.00 23.12 H new ATOM 0 HB2 PHE A 30 -6.333 -14.128 1.152 1.00 71.32 H new ATOM 0 HB3 PHE A 30 -4.846 -14.481 2.010 1.00 71.32 H new ATOM 0 HD1 PHE A 30 -2.698 -13.505 0.533 1.00 73.34 H new ATOM 0 HD2 PHE A 30 -6.603 -11.896 0.696 1.00 65.23 H new ATOM 0 HE1 PHE A 30 -1.800 -11.260 -0.104 1.00 22.25 H new ATOM 0 HE2 PHE A 30 -5.704 -9.651 0.062 1.00 60.05 H new ATOM 0 HZ PHE A 30 -3.312 -9.360 -0.328 1.00 53.15 H new ATOM 446 N PHE A 31 -3.318 -16.253 1.551 1.00 44.34 N ATOM 447 CA PHE A 31 -2.029 -16.786 1.958 1.00 45.54 C ATOM 448 C PHE A 31 -1.626 -17.975 1.084 1.00 74.52 C ATOM 449 O PHE A 31 -0.451 -18.147 0.765 1.00 41.21 O ATOM 450 CB PHE A 31 -2.177 -17.258 3.405 1.00 23.02 C ATOM 451 CG PHE A 31 -2.241 -16.121 4.427 1.00 31.22 C ATOM 452 CD1 PHE A 31 -3.122 -16.186 5.462 1.00 64.02 C ATOM 453 CD2 PHE A 31 -1.418 -15.046 4.301 1.00 11.12 C ATOM 454 CE1 PHE A 31 -3.181 -15.131 6.410 1.00 35.02 C ATOM 455 CE2 PHE A 31 -1.478 -13.991 5.250 1.00 40.13 C ATOM 456 CZ PHE A 31 -2.358 -14.056 6.284 1.00 15.32 C ATOM 0 H PHE A 31 -4.022 -16.228 2.289 1.00 44.34 H new ATOM 0 HA PHE A 31 -1.261 -16.019 1.857 1.00 45.54 H new ATOM 0 HB2 PHE A 31 -3.082 -17.860 3.489 1.00 23.02 H new ATOM 0 HB3 PHE A 31 -1.338 -17.908 3.652 1.00 23.02 H new ATOM 0 HD1 PHE A 31 -3.776 -17.040 5.562 1.00 64.02 H new ATOM 0 HD2 PHE A 31 -0.719 -14.994 3.479 1.00 11.12 H new ATOM 0 HE1 PHE A 31 -3.880 -15.182 7.232 1.00 35.02 H new ATOM 0 HE2 PHE A 31 -0.824 -13.137 5.150 1.00 40.13 H new ATOM 0 HZ PHE A 31 -2.403 -13.254 7.006 1.00 15.32 H new ATOM 466 N LYS A 32 -2.625 -18.767 0.721 1.00 13.15 N ATOM 467 CA LYS A 32 -2.391 -19.936 -0.109 1.00 44.22 C ATOM 468 C LYS A 32 -2.047 -19.485 -1.530 1.00 61.44 C ATOM 469 O LYS A 32 -1.446 -20.238 -2.296 1.00 2.14 O ATOM 470 CB LYS A 32 -3.583 -20.892 -0.038 1.00 52.44 C ATOM 471 CG LYS A 32 -3.352 -22.123 -0.917 1.00 23.05 C ATOM 472 CD LYS A 32 -3.861 -21.885 -2.340 1.00 32.25 C ATOM 473 CE LYS A 32 -5.337 -22.267 -2.464 1.00 75.13 C ATOM 474 NZ LYS A 32 -5.495 -23.739 -2.453 1.00 1.34 N ATOM 0 H LYS A 32 -3.599 -18.621 0.987 1.00 13.15 H new ATOM 0 HA LYS A 32 -1.537 -20.502 0.262 1.00 44.22 H new ATOM 0 HB2 LYS A 32 -3.743 -21.203 0.994 1.00 52.44 H new ATOM 0 HB3 LYS A 32 -4.487 -20.376 -0.360 1.00 52.44 H new ATOM 0 HG2 LYS A 32 -2.289 -22.361 -0.943 1.00 23.05 H new ATOM 0 HG3 LYS A 32 -3.861 -22.984 -0.484 1.00 23.05 H new ATOM 0 HD2 LYS A 32 -3.729 -20.836 -2.607 1.00 32.25 H new ATOM 0 HD3 LYS A 32 -3.270 -22.470 -3.044 1.00 32.25 H new ATOM 0 HE2 LYS A 32 -5.902 -21.829 -1.642 1.00 75.13 H new ATOM 0 HE3 LYS A 32 -5.748 -21.858 -3.387 1.00 75.13 H new ATOM 0 HZ1 LYS A 32 -6.415 -23.993 -2.867 1.00 1.34 H new ATOM 0 HZ2 LYS A 32 -4.733 -24.174 -3.011 1.00 1.34 H new ATOM 0 HZ3 LYS A 32 -5.449 -24.086 -1.474 1.00 1.34 H new ATOM 487 N ALA A 33 -2.443 -18.260 -1.841 1.00 12.24 N ATOM 488 CA ALA A 33 -2.185 -17.700 -3.156 1.00 63.35 C ATOM 489 C ALA A 33 -0.722 -17.260 -3.240 1.00 42.12 C ATOM 490 O ALA A 33 0.039 -17.775 -4.058 1.00 3.40 O ATOM 491 CB ALA A 33 -3.156 -16.549 -3.421 1.00 53.55 C ATOM 0 H ALA A 33 -2.941 -17.639 -1.204 1.00 12.24 H new ATOM 0 HA ALA A 33 -2.349 -18.449 -3.931 1.00 63.35 H new ATOM 0 HB1 ALA A 33 -2.962 -16.129 -4.408 1.00 53.55 H new ATOM 0 HB2 ALA A 33 -4.180 -16.920 -3.379 1.00 53.55 H new ATOM 0 HB3 ALA A 33 -3.019 -15.776 -2.665 1.00 53.55 H new ATOM 497 N CYS A 34 -0.372 -16.312 -2.383 1.00 34.11 N ATOM 498 CA CYS A 34 0.986 -15.797 -2.350 1.00 13.44 C ATOM 499 C CYS A 34 1.913 -16.916 -1.871 1.00 53.21 C ATOM 500 O CYS A 34 3.121 -16.863 -2.093 1.00 4.23 O ATOM 501 CB CYS A 34 1.096 -14.549 -1.470 1.00 71.34 C ATOM 502 SG CYS A 34 0.355 -14.873 0.171 1.00 23.33 S ATOM 0 H CYS A 34 -1.006 -15.887 -1.706 1.00 34.11 H new ATOM 0 HA CYS A 34 1.283 -15.484 -3.351 1.00 13.44 H new ATOM 0 HB2 CYS A 34 2.142 -14.265 -1.356 1.00 71.34 H new ATOM 0 HB3 CYS A 34 0.589 -13.711 -1.948 1.00 71.34 H new ATOM 0 HG CYS A 34 -0.895 -15.199 0.026 1.00 23.33 H new ATOM 508 N GLY A 35 1.311 -17.903 -1.224 1.00 10.12 N ATOM 509 CA GLY A 35 2.068 -19.033 -0.712 1.00 75.01 C ATOM 510 C GLY A 35 2.348 -18.873 0.783 1.00 22.04 C ATOM 511 O GLY A 35 2.744 -19.828 1.450 1.00 44.11 O ATOM 0 H GLY A 35 0.308 -17.944 -1.043 1.00 10.12 H new ATOM 0 HA2 GLY A 35 1.513 -19.955 -0.885 1.00 75.01 H new ATOM 0 HA3 GLY A 35 3.009 -19.121 -1.255 1.00 75.01 H new ATOM 515 N LEU A 36 2.132 -17.659 1.267 1.00 53.30 N ATOM 516 CA LEU A 36 2.356 -17.361 2.671 1.00 25.34 C ATOM 517 C LEU A 36 1.863 -18.534 3.522 1.00 41.33 C ATOM 518 O LEU A 36 2.397 -18.791 4.600 1.00 71.34 O ATOM 519 CB LEU A 36 1.720 -16.021 3.044 1.00 51.22 C ATOM 520 CG LEU A 36 2.560 -14.776 2.753 1.00 51.54 C ATOM 521 CD1 LEU A 36 1.675 -13.533 2.634 1.00 3.13 C ATOM 522 CD2 LEU A 36 3.660 -14.598 3.801 1.00 34.44 C ATOM 0 H LEU A 36 1.804 -16.869 0.711 1.00 53.30 H new ATOM 0 HA LEU A 36 3.422 -17.247 2.870 1.00 25.34 H new ATOM 0 HB2 LEU A 36 0.774 -15.929 2.511 1.00 51.22 H new ATOM 0 HB3 LEU A 36 1.486 -16.036 4.108 1.00 51.22 H new ATOM 0 HG LEU A 36 3.053 -14.914 1.791 1.00 51.54 H new ATOM 0 HD11 LEU A 36 2.297 -12.662 2.427 1.00 3.13 H new ATOM 0 HD12 LEU A 36 0.962 -13.671 1.822 1.00 3.13 H new ATOM 0 HD13 LEU A 36 1.135 -13.380 3.569 1.00 3.13 H new ATOM 0 HD21 LEU A 36 4.242 -13.706 3.570 1.00 34.44 H new ATOM 0 HD22 LEU A 36 3.209 -14.492 4.788 1.00 34.44 H new ATOM 0 HD23 LEU A 36 4.314 -15.470 3.793 1.00 34.44 H new ATOM 534 N SER A 37 0.850 -19.213 3.005 1.00 52.12 N ATOM 535 CA SER A 37 0.278 -20.352 3.703 1.00 4.12 C ATOM 536 C SER A 37 1.265 -21.522 3.691 1.00 54.40 C ATOM 537 O SER A 37 1.354 -22.253 2.706 1.00 51.32 O ATOM 538 CB SER A 37 -1.052 -20.772 3.075 1.00 63.40 C ATOM 539 OG SER A 37 -1.858 -21.519 3.982 1.00 14.54 O ATOM 0 H SER A 37 0.410 -18.996 2.111 1.00 52.12 H new ATOM 0 HA SER A 37 0.084 -20.059 4.735 1.00 4.12 H new ATOM 0 HB2 SER A 37 -1.597 -19.885 2.752 1.00 63.40 H new ATOM 0 HB3 SER A 37 -0.860 -21.370 2.184 1.00 63.40 H new ATOM 0 HG SER A 37 -2.699 -21.767 3.544 1.00 14.54 H new ATOM 545 N GLY A 38 1.980 -21.662 4.797 1.00 22.11 N ATOM 546 CA GLY A 38 2.957 -22.731 4.926 1.00 14.51 C ATOM 547 C GLY A 38 4.383 -22.184 4.832 1.00 33.41 C ATOM 548 O GLY A 38 5.348 -22.944 4.902 1.00 51.30 O ATOM 0 H GLY A 38 1.903 -21.054 5.612 1.00 22.11 H new ATOM 0 HA2 GLY A 38 2.821 -23.240 5.880 1.00 14.51 H new ATOM 0 HA3 GLY A 38 2.796 -23.473 4.144 1.00 14.51 H new ATOM 552 N LYS A 39 4.470 -20.872 4.675 1.00 44.31 N ATOM 553 CA LYS A 39 5.762 -20.215 4.571 1.00 64.15 C ATOM 554 C LYS A 39 6.553 -20.446 5.860 1.00 15.23 C ATOM 555 O LYS A 39 6.096 -21.158 6.753 1.00 21.21 O ATOM 556 CB LYS A 39 5.585 -18.738 4.214 1.00 44.14 C ATOM 557 CG LYS A 39 5.504 -18.546 2.698 1.00 61.12 C ATOM 558 CD LYS A 39 6.756 -19.092 2.008 1.00 31.21 C ATOM 559 CE LYS A 39 7.071 -18.301 0.737 1.00 3.54 C ATOM 560 NZ LYS A 39 7.857 -19.127 -0.206 1.00 51.34 N ATOM 0 H LYS A 39 3.667 -20.246 4.617 1.00 44.31 H new ATOM 0 HA LYS A 39 6.345 -20.648 3.758 1.00 64.15 H new ATOM 0 HB2 LYS A 39 4.679 -18.353 4.682 1.00 44.14 H new ATOM 0 HB3 LYS A 39 6.419 -18.161 4.613 1.00 44.14 H new ATOM 0 HG2 LYS A 39 4.620 -19.053 2.310 1.00 61.12 H new ATOM 0 HG3 LYS A 39 5.390 -17.487 2.468 1.00 61.12 H new ATOM 0 HD2 LYS A 39 7.604 -19.041 2.692 1.00 31.21 H new ATOM 0 HD3 LYS A 39 6.609 -20.143 1.759 1.00 31.21 H new ATOM 0 HE2 LYS A 39 6.144 -17.980 0.262 1.00 3.54 H new ATOM 0 HE3 LYS A 39 7.628 -17.399 0.991 1.00 3.54 H new ATOM 0 HZ1 LYS A 39 8.062 -18.575 -1.063 1.00 51.34 H new ATOM 0 HZ2 LYS A 39 8.750 -19.413 0.244 1.00 51.34 H new ATOM 0 HZ3 LYS A 39 7.312 -19.975 -0.462 1.00 51.34 H new ATOM 573 N SER A 40 7.724 -19.830 5.917 1.00 41.40 N ATOM 574 CA SER A 40 8.582 -19.959 7.083 1.00 50.24 C ATOM 575 C SER A 40 8.139 -18.977 8.170 1.00 70.53 C ATOM 576 O SER A 40 7.819 -17.826 7.879 1.00 40.03 O ATOM 577 CB SER A 40 10.048 -19.719 6.717 1.00 60.13 C ATOM 578 OG SER A 40 10.924 -20.597 7.419 1.00 11.43 O ATOM 0 H SER A 40 8.099 -19.240 5.175 1.00 41.40 H new ATOM 0 HA SER A 40 8.492 -20.977 7.463 1.00 50.24 H new ATOM 0 HB2 SER A 40 10.181 -19.856 5.644 1.00 60.13 H new ATOM 0 HB3 SER A 40 10.313 -18.686 6.942 1.00 60.13 H new ATOM 0 HG SER A 40 11.850 -20.414 7.157 1.00 11.43 H new ATOM 584 N THR A 41 8.135 -19.469 9.400 1.00 74.41 N ATOM 585 CA THR A 41 7.736 -18.650 10.532 1.00 22.20 C ATOM 586 C THR A 41 8.638 -17.419 10.643 1.00 31.31 C ATOM 587 O THR A 41 8.308 -16.465 11.346 1.00 24.44 O ATOM 588 CB THR A 41 7.754 -19.531 11.783 1.00 61.44 C ATOM 589 OG1 THR A 41 6.494 -20.196 11.757 1.00 71.10 O ATOM 590 CG2 THR A 41 7.718 -18.714 13.076 1.00 51.05 C ATOM 0 H THR A 41 8.402 -20.424 9.638 1.00 74.41 H new ATOM 0 HA THR A 41 6.725 -18.263 10.404 1.00 22.20 H new ATOM 0 HB THR A 41 8.647 -20.156 11.774 1.00 61.44 H new ATOM 0 HG1 THR A 41 6.422 -20.790 12.533 1.00 71.10 H new ATOM 0 HG21 THR A 41 7.733 -19.388 13.933 1.00 51.05 H new ATOM 0 HG22 THR A 41 8.587 -18.058 13.116 1.00 51.05 H new ATOM 0 HG23 THR A 41 6.809 -18.114 13.102 1.00 51.05 H new ATOM 598 N ASP A 42 9.758 -17.480 9.938 1.00 21.43 N ATOM 599 CA ASP A 42 10.710 -16.382 9.949 1.00 72.42 C ATOM 600 C ASP A 42 10.199 -15.262 9.041 1.00 12.43 C ATOM 601 O ASP A 42 10.044 -14.124 9.482 1.00 53.44 O ATOM 602 CB ASP A 42 12.074 -16.831 9.423 1.00 65.41 C ATOM 603 CG ASP A 42 13.076 -15.702 9.177 1.00 43.52 C ATOM 604 OD1 ASP A 42 13.568 -15.517 8.053 1.00 30.34 O ATOM 605 OD2 ASP A 42 13.352 -14.983 10.212 1.00 45.22 O ATOM 0 H ASP A 42 10.028 -18.273 9.355 1.00 21.43 H new ATOM 0 HA ASP A 42 10.816 -16.037 10.978 1.00 72.42 H new ATOM 0 HB2 ASP A 42 12.508 -17.533 10.135 1.00 65.41 H new ATOM 0 HB3 ASP A 42 11.926 -17.375 8.490 1.00 65.41 H new ATOM 611 N GLU A 43 9.951 -15.623 7.791 1.00 43.42 N ATOM 612 CA GLU A 43 9.461 -14.662 6.817 1.00 0.55 C ATOM 613 C GLU A 43 8.080 -14.146 7.229 1.00 25.32 C ATOM 614 O GLU A 43 7.814 -12.948 7.155 1.00 52.22 O ATOM 615 CB GLU A 43 9.422 -15.272 5.415 1.00 25.43 C ATOM 616 CG GLU A 43 8.125 -16.051 5.192 1.00 74.31 C ATOM 617 CD GLU A 43 8.071 -16.634 3.778 1.00 24.13 C ATOM 618 OE1 GLU A 43 8.935 -17.444 3.409 1.00 52.24 O ATOM 619 OE2 GLU A 43 7.088 -16.218 3.054 1.00 63.42 O ATOM 0 H GLU A 43 10.080 -16.568 7.430 1.00 43.42 H new ATOM 0 HA GLU A 43 10.150 -13.818 6.791 1.00 0.55 H new ATOM 0 HB2 GLU A 43 9.509 -14.483 4.669 1.00 25.43 H new ATOM 0 HB3 GLU A 43 10.277 -15.935 5.279 1.00 25.43 H new ATOM 0 HG2 GLU A 43 8.049 -16.855 5.924 1.00 74.31 H new ATOM 0 HG3 GLU A 43 7.270 -15.394 5.351 1.00 74.31 H new ATOM 627 N VAL A 44 7.239 -15.077 7.654 1.00 22.34 N ATOM 628 CA VAL A 44 5.893 -14.732 8.078 1.00 72.30 C ATOM 629 C VAL A 44 5.938 -13.451 8.913 1.00 21.23 C ATOM 630 O VAL A 44 5.102 -12.565 8.743 1.00 21.23 O ATOM 631 CB VAL A 44 5.261 -15.910 8.823 1.00 54.30 C ATOM 632 CG1 VAL A 44 3.934 -15.502 9.468 1.00 64.13 C ATOM 633 CG2 VAL A 44 5.072 -17.110 7.893 1.00 43.44 C ATOM 0 H VAL A 44 7.464 -16.070 7.714 1.00 22.34 H new ATOM 0 HA VAL A 44 5.259 -14.534 7.214 1.00 72.30 H new ATOM 0 HB VAL A 44 5.944 -16.208 9.619 1.00 54.30 H new ATOM 0 HG11 VAL A 44 3.506 -16.357 9.991 1.00 64.13 H new ATOM 0 HG12 VAL A 44 4.108 -14.693 10.177 1.00 64.13 H new ATOM 0 HG13 VAL A 44 3.242 -15.165 8.696 1.00 64.13 H new ATOM 0 HG21 VAL A 44 4.621 -17.933 8.448 1.00 43.44 H new ATOM 0 HG22 VAL A 44 4.420 -16.830 7.066 1.00 43.44 H new ATOM 0 HG23 VAL A 44 6.040 -17.423 7.502 1.00 43.44 H new ATOM 643 N LYS A 45 6.923 -13.394 9.798 1.00 71.13 N ATOM 644 CA LYS A 45 7.088 -12.236 10.660 1.00 63.30 C ATOM 645 C LYS A 45 7.366 -11.001 9.801 1.00 72.35 C ATOM 646 O LYS A 45 6.767 -9.948 10.010 1.00 53.43 O ATOM 647 CB LYS A 45 8.162 -12.504 11.717 1.00 71.14 C ATOM 648 CG LYS A 45 7.848 -13.776 12.507 1.00 12.24 C ATOM 649 CD LYS A 45 9.131 -14.438 13.012 1.00 21.52 C ATOM 650 CE LYS A 45 8.825 -15.464 14.106 1.00 41.40 C ATOM 651 NZ LYS A 45 9.982 -15.611 15.017 1.00 65.14 N ATOM 0 H LYS A 45 7.615 -14.131 9.936 1.00 71.13 H new ATOM 0 HA LYS A 45 6.170 -12.039 11.214 1.00 63.30 H new ATOM 0 HB2 LYS A 45 9.135 -12.602 11.235 1.00 71.14 H new ATOM 0 HB3 LYS A 45 8.227 -11.655 12.398 1.00 71.14 H new ATOM 0 HG2 LYS A 45 7.203 -13.534 13.351 1.00 12.24 H new ATOM 0 HG3 LYS A 45 7.298 -14.474 11.876 1.00 12.24 H new ATOM 0 HD2 LYS A 45 9.643 -14.927 12.183 1.00 21.52 H new ATOM 0 HD3 LYS A 45 9.808 -13.677 13.401 1.00 21.52 H new ATOM 0 HE2 LYS A 45 7.947 -15.151 14.671 1.00 41.40 H new ATOM 0 HE3 LYS A 45 8.586 -16.427 13.654 1.00 41.40 H new ATOM 0 HZ1 LYS A 45 9.758 -16.311 15.753 1.00 65.14 H new ATOM 0 HZ2 LYS A 45 10.811 -15.931 14.477 1.00 65.14 H new ATOM 0 HZ3 LYS A 45 10.192 -14.695 15.463 1.00 65.14 H new ATOM 664 N LYS A 46 8.275 -11.172 8.852 1.00 75.24 N ATOM 665 CA LYS A 46 8.639 -10.085 7.960 1.00 52.44 C ATOM 666 C LYS A 46 7.454 -9.760 7.047 1.00 30.35 C ATOM 667 O LYS A 46 7.379 -8.668 6.486 1.00 34.25 O ATOM 668 CB LYS A 46 9.924 -10.421 7.201 1.00 25.15 C ATOM 669 CG LYS A 46 10.896 -11.201 8.089 1.00 23.23 C ATOM 670 CD LYS A 46 12.346 -10.938 7.678 1.00 63.20 C ATOM 671 CE LYS A 46 12.501 -10.979 6.156 1.00 15.13 C ATOM 672 NZ LYS A 46 12.029 -12.276 5.622 1.00 24.32 N ATOM 0 H LYS A 46 8.770 -12.047 8.682 1.00 75.24 H new ATOM 0 HA LYS A 46 8.859 -9.183 8.531 1.00 52.44 H new ATOM 0 HB2 LYS A 46 9.684 -11.008 6.315 1.00 25.15 H new ATOM 0 HB3 LYS A 46 10.398 -9.502 6.856 1.00 25.15 H new ATOM 0 HG2 LYS A 46 10.752 -10.915 9.131 1.00 23.23 H new ATOM 0 HG3 LYS A 46 10.682 -12.268 8.019 1.00 23.23 H new ATOM 0 HD2 LYS A 46 12.663 -9.965 8.053 1.00 63.20 H new ATOM 0 HD3 LYS A 46 12.998 -11.683 8.134 1.00 63.20 H new ATOM 0 HE2 LYS A 46 11.934 -10.165 5.705 1.00 15.13 H new ATOM 0 HE3 LYS A 46 13.546 -10.827 5.887 1.00 15.13 H new ATOM 0 HZ1 LYS A 46 12.659 -12.586 4.855 1.00 24.32 H new ATOM 0 HZ2 LYS A 46 12.033 -12.986 6.382 1.00 24.32 H new ATOM 0 HZ3 LYS A 46 11.062 -12.169 5.254 1.00 24.32 H new ATOM 685 N ALA A 47 6.558 -10.729 6.928 1.00 41.14 N ATOM 686 CA ALA A 47 5.381 -10.560 6.093 1.00 35.22 C ATOM 687 C ALA A 47 4.287 -9.855 6.898 1.00 20.44 C ATOM 688 O ALA A 47 3.339 -9.319 6.327 1.00 34.23 O ATOM 689 CB ALA A 47 4.929 -11.924 5.566 1.00 50.55 C ATOM 0 H ALA A 47 6.623 -11.633 7.396 1.00 41.14 H new ATOM 0 HA ALA A 47 5.610 -9.936 5.229 1.00 35.22 H new ATOM 0 HB1 ALA A 47 4.046 -11.798 4.940 1.00 50.55 H new ATOM 0 HB2 ALA A 47 5.731 -12.371 4.978 1.00 50.55 H new ATOM 0 HB3 ALA A 47 4.688 -12.577 6.405 1.00 50.55 H new ATOM 695 N PHE A 48 4.456 -9.879 8.212 1.00 32.03 N ATOM 696 CA PHE A 48 3.495 -9.249 9.102 1.00 51.13 C ATOM 697 C PHE A 48 3.803 -7.760 9.275 1.00 33.24 C ATOM 698 O PHE A 48 2.891 -6.947 9.417 1.00 42.41 O ATOM 699 CB PHE A 48 3.618 -9.945 10.459 1.00 44.34 C ATOM 700 CG PHE A 48 2.921 -9.206 11.603 1.00 51.24 C ATOM 701 CD1 PHE A 48 1.603 -9.430 11.854 1.00 63.42 C ATOM 702 CD2 PHE A 48 3.619 -8.324 12.368 1.00 35.41 C ATOM 703 CE1 PHE A 48 0.956 -8.745 12.915 1.00 10.44 C ATOM 704 CE2 PHE A 48 2.971 -7.639 13.430 1.00 42.53 C ATOM 705 CZ PHE A 48 1.654 -7.863 13.681 1.00 75.11 C ATOM 0 H PHE A 48 5.244 -10.325 8.682 1.00 32.03 H new ATOM 0 HA PHE A 48 2.490 -9.339 8.689 1.00 51.13 H new ATOM 0 HB2 PHE A 48 3.200 -10.949 10.380 1.00 44.34 H new ATOM 0 HB3 PHE A 48 4.674 -10.058 10.703 1.00 44.34 H new ATOM 0 HD1 PHE A 48 1.049 -10.129 11.246 1.00 63.42 H new ATOM 0 HD2 PHE A 48 4.665 -8.145 12.168 1.00 35.41 H new ATOM 0 HE1 PHE A 48 -0.090 -8.924 13.115 1.00 10.44 H new ATOM 0 HE2 PHE A 48 3.525 -6.940 14.039 1.00 42.53 H new ATOM 0 HZ PHE A 48 1.162 -7.341 14.488 1.00 75.11 H new ATOM 715 N ALA A 49 5.090 -7.449 9.259 1.00 65.12 N ATOM 716 CA ALA A 49 5.530 -6.073 9.413 1.00 51.43 C ATOM 717 C ALA A 49 5.096 -5.264 8.189 1.00 41.53 C ATOM 718 O ALA A 49 5.192 -4.037 8.185 1.00 64.32 O ATOM 719 CB ALA A 49 7.045 -6.041 9.626 1.00 54.13 C ATOM 0 H ALA A 49 5.843 -8.127 9.142 1.00 65.12 H new ATOM 0 HA ALA A 49 5.069 -5.619 10.290 1.00 51.43 H new ATOM 0 HB1 ALA A 49 7.374 -5.008 9.741 1.00 54.13 H new ATOM 0 HB2 ALA A 49 7.298 -6.605 10.524 1.00 54.13 H new ATOM 0 HB3 ALA A 49 7.543 -6.487 8.765 1.00 54.13 H new ATOM 725 N ILE A 50 4.628 -5.983 7.179 1.00 13.34 N ATOM 726 CA ILE A 50 4.179 -5.347 5.952 1.00 12.13 C ATOM 727 C ILE A 50 2.897 -4.560 6.230 1.00 15.03 C ATOM 728 O ILE A 50 2.876 -3.336 6.106 1.00 34.40 O ATOM 729 CB ILE A 50 4.035 -6.382 4.834 1.00 3.53 C ATOM 730 CG1 ILE A 50 5.296 -7.240 4.717 1.00 63.13 C ATOM 731 CG2 ILE A 50 3.674 -5.709 3.508 1.00 32.33 C ATOM 732 CD1 ILE A 50 5.300 -8.032 3.407 1.00 4.24 C ATOM 0 H ILE A 50 4.550 -7.000 7.185 1.00 13.34 H new ATOM 0 HA ILE A 50 4.922 -4.632 5.599 1.00 12.13 H new ATOM 0 HB ILE A 50 3.213 -7.051 5.090 1.00 3.53 H new ATOM 0 HG12 ILE A 50 6.179 -6.603 4.764 1.00 63.13 H new ATOM 0 HG13 ILE A 50 5.353 -7.927 5.562 1.00 63.13 H new ATOM 0 HG21 ILE A 50 3.578 -6.466 2.730 1.00 32.33 H new ATOM 0 HG22 ILE A 50 2.729 -5.177 3.616 1.00 32.33 H new ATOM 0 HG23 ILE A 50 4.458 -5.004 3.233 1.00 32.33 H new ATOM 0 HD11 ILE A 50 6.207 -8.634 3.348 1.00 4.24 H new ATOM 0 HD12 ILE A 50 4.428 -8.685 3.374 1.00 4.24 H new ATOM 0 HD13 ILE A 50 5.268 -7.341 2.564 1.00 4.24 H new ATOM 744 N ILE A 51 1.858 -5.294 6.601 1.00 22.54 N ATOM 745 CA ILE A 51 0.575 -4.681 6.898 1.00 0.40 C ATOM 746 C ILE A 51 0.787 -3.501 7.849 1.00 34.14 C ATOM 747 O ILE A 51 0.434 -2.368 7.527 1.00 52.22 O ATOM 748 CB ILE A 51 -0.410 -5.726 7.424 1.00 33.13 C ATOM 749 CG1 ILE A 51 -0.344 -7.009 6.593 1.00 34.01 C ATOM 750 CG2 ILE A 51 -1.829 -5.158 7.490 1.00 34.01 C ATOM 751 CD1 ILE A 51 0.316 -8.141 7.383 1.00 42.21 C ATOM 0 H ILE A 51 1.879 -6.309 6.703 1.00 22.54 H new ATOM 0 HA ILE A 51 0.124 -4.282 5.989 1.00 0.40 H new ATOM 0 HB ILE A 51 -0.120 -5.987 8.442 1.00 33.13 H new ATOM 0 HG12 ILE A 51 -1.350 -7.306 6.296 1.00 34.01 H new ATOM 0 HG13 ILE A 51 0.217 -6.825 5.677 1.00 34.01 H new ATOM 0 HG21 ILE A 51 -2.509 -5.922 7.867 1.00 34.01 H new ATOM 0 HG22 ILE A 51 -1.845 -4.296 8.157 1.00 34.01 H new ATOM 0 HG23 ILE A 51 -2.145 -4.851 6.493 1.00 34.01 H new ATOM 0 HD11 ILE A 51 0.350 -9.041 6.769 1.00 42.21 H new ATOM 0 HD12 ILE A 51 1.330 -7.850 7.657 1.00 42.21 H new ATOM 0 HD13 ILE A 51 -0.261 -8.339 8.286 1.00 42.21 H new ATOM 763 N ASP A 52 1.361 -3.808 9.003 1.00 65.32 N ATOM 764 CA ASP A 52 1.624 -2.788 10.003 1.00 3.23 C ATOM 765 C ASP A 52 2.123 -1.518 9.311 1.00 14.41 C ATOM 766 O ASP A 52 3.281 -1.442 8.905 1.00 50.53 O ATOM 767 CB ASP A 52 2.704 -3.245 10.986 1.00 32.21 C ATOM 768 CG ASP A 52 2.344 -4.481 11.814 1.00 55.35 C ATOM 769 OD1 ASP A 52 1.160 -4.797 12.008 1.00 42.54 O ATOM 770 OD2 ASP A 52 3.351 -5.141 12.275 1.00 43.23 O ATOM 0 H ASP A 52 1.651 -4.749 9.268 1.00 65.32 H new ATOM 0 HA ASP A 52 0.697 -2.602 10.546 1.00 3.23 H new ATOM 0 HB2 ASP A 52 3.617 -3.453 10.428 1.00 32.21 H new ATOM 0 HB3 ASP A 52 2.926 -2.423 11.666 1.00 32.21 H new ATOM 776 N GLN A 53 1.223 -0.552 9.198 1.00 12.33 N ATOM 777 CA GLN A 53 1.556 0.711 8.562 1.00 5.54 C ATOM 778 C GLN A 53 2.117 1.693 9.593 1.00 1.14 C ATOM 779 O GLN A 53 2.739 2.695 9.300 1.00 64.20 O ATOM 780 CB GLN A 53 0.341 1.303 7.847 1.00 54.13 C ATOM 781 CG GLN A 53 -0.314 0.268 6.930 1.00 64.42 C ATOM 782 CD GLN A 53 -1.351 0.922 6.016 1.00 52.43 C ATOM 783 OE1 GLN A 53 -1.178 2.027 5.529 1.00 50.54 O ATOM 784 NE2 GLN A 53 -2.436 0.181 5.811 1.00 53.11 N ATOM 0 H GLN A 53 0.263 -0.619 9.536 1.00 12.33 H new ATOM 0 HA GLN A 53 2.323 0.525 7.810 1.00 5.54 H new ATOM 0 HB2 GLN A 53 -0.384 1.653 8.582 1.00 54.13 H new ATOM 0 HB3 GLN A 53 0.646 2.171 7.262 1.00 54.13 H new ATOM 0 HG2 GLN A 53 0.449 -0.223 6.326 1.00 64.42 H new ATOM 0 HG3 GLN A 53 -0.791 -0.506 7.532 1.00 64.42 H new ATOM 0 HE21 GLN A 53 -2.517 -0.736 6.249 1.00 53.11 H new ATOM 0 HE22 GLN A 53 -3.187 0.530 5.215 1.00 53.11 H new ATOM 793 N ASP A 54 1.880 1.381 10.838 1.00 62.14 N ATOM 794 CA ASP A 54 2.379 2.254 11.937 1.00 45.43 C ATOM 795 C ASP A 54 3.371 1.480 12.812 1.00 75.12 C ATOM 796 O ASP A 54 4.154 2.127 13.505 1.00 32.12 O ATOM 797 CB ASP A 54 1.134 2.631 12.740 1.00 31.50 C ATOM 798 CG ASP A 54 0.375 1.362 13.132 1.00 62.43 C ATOM 799 OD1 ASP A 54 -0.060 0.654 12.237 1.00 3.32 O ATOM 800 OD2 ASP A 54 0.239 1.118 14.320 1.00 64.55 O ATOM 0 H ASP A 54 1.361 0.557 11.142 1.00 62.14 H new ATOM 0 HA ASP A 54 2.902 3.134 11.563 1.00 45.43 H new ATOM 0 HB2 ASP A 54 1.419 3.187 13.633 1.00 31.50 H new ATOM 0 HB3 ASP A 54 0.491 3.284 12.149 1.00 31.50 H new ATOM 805 N LYS A 55 3.321 0.157 12.772 1.00 74.41 N ATOM 806 CA LYS A 55 4.222 -0.651 13.575 1.00 4.05 C ATOM 807 C LYS A 55 3.843 -0.516 15.051 1.00 35.44 C ATOM 808 O LYS A 55 4.704 -0.585 15.927 1.00 42.54 O ATOM 809 CB LYS A 55 5.678 -0.284 13.279 1.00 20.32 C ATOM 810 CG LYS A 55 5.879 0.001 11.789 1.00 23.34 C ATOM 811 CD LYS A 55 5.475 -1.207 10.941 1.00 41.52 C ATOM 812 CE LYS A 55 6.068 -2.498 11.507 1.00 23.11 C ATOM 813 NZ LYS A 55 7.524 -2.347 11.728 1.00 50.33 N ATOM 0 H LYS A 55 2.670 -0.376 12.195 1.00 74.41 H new ATOM 0 HA LYS A 55 4.123 -1.705 13.315 1.00 4.05 H new ATOM 0 HB2 LYS A 55 5.962 0.592 13.862 1.00 20.32 H new ATOM 0 HB3 LYS A 55 6.332 -1.099 13.589 1.00 20.32 H new ATOM 0 HG2 LYS A 55 5.287 0.869 11.498 1.00 23.34 H new ATOM 0 HG3 LYS A 55 6.923 0.250 11.600 1.00 23.34 H new ATOM 0 HD2 LYS A 55 4.388 -1.286 10.908 1.00 41.52 H new ATOM 0 HD3 LYS A 55 5.815 -1.066 9.915 1.00 41.52 H new ATOM 0 HE2 LYS A 55 5.576 -2.750 12.446 1.00 23.11 H new ATOM 0 HE3 LYS A 55 5.882 -3.323 10.819 1.00 23.11 H new ATOM 0 HZ1 LYS A 55 8.014 -3.210 11.418 1.00 50.33 H new ATOM 0 HZ2 LYS A 55 7.876 -1.535 11.182 1.00 50.33 H new ATOM 0 HZ3 LYS A 55 7.707 -2.190 12.740 1.00 50.33 H new ATOM 826 N SER A 56 2.552 -0.328 15.282 1.00 14.34 N ATOM 827 CA SER A 56 2.047 -0.183 16.637 1.00 1.03 C ATOM 828 C SER A 56 2.558 -1.330 17.511 1.00 21.03 C ATOM 829 O SER A 56 2.643 -1.196 18.731 1.00 15.21 O ATOM 830 CB SER A 56 0.518 -0.144 16.654 1.00 13.42 C ATOM 831 OG SER A 56 -0.049 -0.978 15.648 1.00 60.41 O ATOM 0 H SER A 56 1.840 -0.273 14.553 1.00 14.34 H new ATOM 0 HA SER A 56 2.412 0.762 17.039 1.00 1.03 H new ATOM 0 HB2 SER A 56 0.158 -0.461 17.633 1.00 13.42 H new ATOM 0 HB3 SER A 56 0.180 0.882 16.507 1.00 13.42 H new ATOM 0 HG SER A 56 -0.251 -0.441 14.853 1.00 60.41 H new ATOM 837 N GLY A 57 2.886 -2.432 16.853 1.00 31.22 N ATOM 838 CA GLY A 57 3.386 -3.602 17.555 1.00 64.00 C ATOM 839 C GLY A 57 2.464 -4.804 17.345 1.00 74.25 C ATOM 840 O GLY A 57 2.881 -5.949 17.516 1.00 55.34 O ATOM 0 H GLY A 57 2.815 -2.540 15.841 1.00 31.22 H new ATOM 0 HA2 GLY A 57 4.388 -3.842 17.201 1.00 64.00 H new ATOM 0 HA3 GLY A 57 3.468 -3.384 18.620 1.00 64.00 H new ATOM 844 N PHE A 58 1.227 -4.503 16.976 1.00 20.24 N ATOM 845 CA PHE A 58 0.242 -5.545 16.741 1.00 52.12 C ATOM 846 C PHE A 58 -0.680 -5.175 15.577 1.00 43.13 C ATOM 847 O PHE A 58 -0.521 -4.119 14.966 1.00 62.21 O ATOM 848 CB PHE A 58 -0.593 -5.668 18.017 1.00 2.01 C ATOM 849 CG PHE A 58 0.218 -6.051 19.257 1.00 45.34 C ATOM 850 CD1 PHE A 58 1.130 -7.058 19.188 1.00 11.14 C ATOM 851 CD2 PHE A 58 0.028 -5.384 20.426 1.00 2.24 C ATOM 852 CE1 PHE A 58 1.883 -7.413 20.339 1.00 73.13 C ATOM 853 CE2 PHE A 58 0.781 -5.739 21.577 1.00 61.12 C ATOM 854 CZ PHE A 58 1.692 -6.746 21.509 1.00 65.33 C ATOM 0 H PHE A 58 0.885 -3.553 16.834 1.00 20.24 H new ATOM 0 HA PHE A 58 0.743 -6.480 16.491 1.00 52.12 H new ATOM 0 HB2 PHE A 58 -1.095 -4.719 18.203 1.00 2.01 H new ATOM 0 HB3 PHE A 58 -1.371 -6.415 17.859 1.00 2.01 H new ATOM 0 HD1 PHE A 58 1.281 -7.587 18.259 1.00 11.14 H new ATOM 0 HD2 PHE A 58 -0.696 -4.584 20.480 1.00 2.24 H new ATOM 0 HE1 PHE A 58 2.607 -8.212 20.285 1.00 73.13 H new ATOM 0 HE2 PHE A 58 0.630 -5.209 22.506 1.00 61.12 H new ATOM 0 HZ PHE A 58 2.264 -7.016 22.384 1.00 65.33 H new ATOM 864 N ILE A 59 -1.623 -6.065 15.305 1.00 41.34 N ATOM 865 CA ILE A 59 -2.570 -5.845 14.225 1.00 41.04 C ATOM 866 C ILE A 59 -3.989 -5.806 14.796 1.00 4.11 C ATOM 867 O ILE A 59 -4.734 -6.778 14.684 1.00 41.12 O ATOM 868 CB ILE A 59 -2.379 -6.890 13.124 1.00 60.23 C ATOM 869 CG1 ILE A 59 -1.174 -6.548 12.246 1.00 44.24 C ATOM 870 CG2 ILE A 59 -3.658 -7.060 12.301 1.00 2.20 C ATOM 871 CD1 ILE A 59 -1.007 -7.571 11.120 1.00 52.51 C ATOM 0 H ILE A 59 -1.752 -6.940 15.814 1.00 41.34 H new ATOM 0 HA ILE A 59 -2.390 -4.880 13.752 1.00 41.04 H new ATOM 0 HB ILE A 59 -2.171 -7.850 13.597 1.00 60.23 H new ATOM 0 HG12 ILE A 59 -1.300 -5.552 11.821 1.00 44.24 H new ATOM 0 HG13 ILE A 59 -0.271 -6.523 12.856 1.00 44.24 H new ATOM 0 HG21 ILE A 59 -3.495 -7.808 11.525 1.00 2.20 H new ATOM 0 HG22 ILE A 59 -4.470 -7.384 12.953 1.00 2.20 H new ATOM 0 HG23 ILE A 59 -3.922 -6.109 11.838 1.00 2.20 H new ATOM 0 HD11 ILE A 59 -0.143 -7.304 10.511 1.00 52.51 H new ATOM 0 HD12 ILE A 59 -0.857 -8.562 11.548 1.00 52.51 H new ATOM 0 HD13 ILE A 59 -1.902 -7.576 10.498 1.00 52.51 H new ATOM 883 N GLU A 60 -4.319 -4.672 15.397 1.00 71.22 N ATOM 884 CA GLU A 60 -5.635 -4.494 15.986 1.00 12.42 C ATOM 885 C GLU A 60 -6.723 -4.892 14.987 1.00 40.35 C ATOM 886 O GLU A 60 -6.482 -4.922 13.781 1.00 63.42 O ATOM 887 CB GLU A 60 -5.831 -3.054 16.465 1.00 41.32 C ATOM 888 CG GLU A 60 -5.056 -2.796 17.759 1.00 41.24 C ATOM 889 CD GLU A 60 -3.584 -2.496 17.466 1.00 54.23 C ATOM 890 OE1 GLU A 60 -2.698 -3.222 17.939 1.00 4.11 O ATOM 891 OE2 GLU A 60 -3.376 -1.467 16.716 1.00 54.11 O ATOM 0 H GLU A 60 -3.698 -3.868 15.489 1.00 71.22 H new ATOM 0 HA GLU A 60 -5.713 -5.146 16.856 1.00 12.42 H new ATOM 0 HB2 GLU A 60 -5.497 -2.361 15.693 1.00 41.32 H new ATOM 0 HB3 GLU A 60 -6.892 -2.862 16.628 1.00 41.32 H new ATOM 0 HG2 GLU A 60 -5.502 -1.957 18.293 1.00 41.24 H new ATOM 0 HG3 GLU A 60 -5.131 -3.666 18.411 1.00 41.24 H new ATOM 899 N GLU A 61 -7.897 -5.187 15.525 1.00 52.44 N ATOM 900 CA GLU A 61 -9.023 -5.581 14.695 1.00 63.43 C ATOM 901 C GLU A 61 -9.132 -4.663 13.476 1.00 3.20 C ATOM 902 O GLU A 61 -9.333 -5.132 12.357 1.00 51.21 O ATOM 903 CB GLU A 61 -10.324 -5.581 15.499 1.00 21.34 C ATOM 904 CG GLU A 61 -11.536 -5.750 14.582 1.00 73.34 C ATOM 905 CD GLU A 61 -12.838 -5.748 15.386 1.00 23.12 C ATOM 906 OE1 GLU A 61 -13.070 -6.662 16.191 1.00 33.13 O ATOM 907 OE2 GLU A 61 -13.622 -4.751 15.152 1.00 3.22 O ATOM 0 H GLU A 61 -8.093 -5.161 16.526 1.00 52.44 H new ATOM 0 HA GLU A 61 -8.851 -6.599 14.344 1.00 63.43 H new ATOM 0 HB2 GLU A 61 -10.303 -6.388 16.232 1.00 21.34 H new ATOM 0 HB3 GLU A 61 -10.412 -4.648 16.055 1.00 21.34 H new ATOM 0 HG2 GLU A 61 -11.556 -4.944 13.848 1.00 73.34 H new ATOM 0 HG3 GLU A 61 -11.449 -6.684 14.027 1.00 73.34 H new ATOM 915 N GLU A 62 -8.994 -3.371 13.735 1.00 43.24 N ATOM 916 CA GLU A 62 -9.074 -2.382 12.673 1.00 71.34 C ATOM 917 C GLU A 62 -8.006 -2.655 11.612 1.00 71.05 C ATOM 918 O GLU A 62 -8.259 -2.501 10.418 1.00 63.44 O ATOM 919 CB GLU A 62 -8.942 -0.964 13.232 1.00 24.50 C ATOM 920 CG GLU A 62 -10.029 -0.681 14.271 1.00 43.03 C ATOM 921 CD GLU A 62 -9.605 0.447 15.214 1.00 53.24 C ATOM 922 OE1 GLU A 62 -10.357 0.800 16.135 1.00 42.35 O ATOM 923 OE2 GLU A 62 -8.449 0.962 14.964 1.00 70.45 O ATOM 0 H GLU A 62 -8.827 -2.986 14.665 1.00 43.24 H new ATOM 0 HA GLU A 62 -10.054 -2.461 12.203 1.00 71.34 H new ATOM 0 HB2 GLU A 62 -7.959 -0.838 13.685 1.00 24.50 H new ATOM 0 HB3 GLU A 62 -9.013 -0.241 12.420 1.00 24.50 H new ATOM 0 HG2 GLU A 62 -10.957 -0.410 13.767 1.00 43.03 H new ATOM 0 HG3 GLU A 62 -10.231 -1.584 14.846 1.00 43.03 H new ATOM 931 N GLU A 63 -6.835 -3.055 12.085 1.00 33.14 N ATOM 932 CA GLU A 63 -5.728 -3.351 11.192 1.00 1.33 C ATOM 933 C GLU A 63 -6.056 -4.567 10.324 1.00 13.01 C ATOM 934 O GLU A 63 -5.745 -4.587 9.134 1.00 21.03 O ATOM 935 CB GLU A 63 -4.434 -3.571 11.978 1.00 63.11 C ATOM 936 CG GLU A 63 -3.876 -2.245 12.499 1.00 30.22 C ATOM 937 CD GLU A 63 -2.366 -2.338 12.729 1.00 12.12 C ATOM 938 OE1 GLU A 63 -1.631 -2.226 11.724 1.00 33.42 O ATOM 939 OE2 GLU A 63 -1.981 -2.518 13.905 1.00 72.23 O ATOM 0 H GLU A 63 -6.629 -3.181 13.076 1.00 33.14 H new ATOM 0 HA GLU A 63 -5.576 -2.493 10.537 1.00 1.33 H new ATOM 0 HB2 GLU A 63 -4.623 -4.244 12.815 1.00 63.11 H new ATOM 0 HB3 GLU A 63 -3.695 -4.055 11.340 1.00 63.11 H new ATOM 0 HG2 GLU A 63 -4.090 -1.450 11.784 1.00 30.22 H new ATOM 0 HG3 GLU A 63 -4.374 -1.978 13.431 1.00 30.22 H new ATOM 946 N LEU A 64 -6.681 -5.552 10.953 1.00 1.31 N ATOM 947 CA LEU A 64 -7.055 -6.769 10.253 1.00 42.32 C ATOM 948 C LEU A 64 -7.837 -6.405 8.989 1.00 63.00 C ATOM 949 O LEU A 64 -7.549 -6.917 7.908 1.00 33.01 O ATOM 950 CB LEU A 64 -7.807 -7.716 11.190 1.00 64.43 C ATOM 951 CG LEU A 64 -6.939 -8.593 12.094 1.00 24.53 C ATOM 952 CD1 LEU A 64 -7.784 -9.277 13.170 1.00 35.23 C ATOM 953 CD2 LEU A 64 -6.133 -9.601 11.272 1.00 73.41 C ATOM 0 H LEU A 64 -6.938 -5.532 11.940 1.00 1.31 H new ATOM 0 HA LEU A 64 -6.166 -7.313 9.933 1.00 42.32 H new ATOM 0 HB2 LEU A 64 -8.469 -7.122 11.820 1.00 64.43 H new ATOM 0 HB3 LEU A 64 -8.440 -8.366 10.586 1.00 64.43 H new ATOM 0 HG LEU A 64 -6.223 -7.950 12.607 1.00 24.53 H new ATOM 0 HD11 LEU A 64 -7.142 -9.894 13.799 1.00 35.23 H new ATOM 0 HD12 LEU A 64 -8.274 -8.521 13.783 1.00 35.23 H new ATOM 0 HD13 LEU A 64 -8.539 -9.904 12.696 1.00 35.23 H new ATOM 0 HD21 LEU A 64 -5.525 -10.211 11.940 1.00 73.41 H new ATOM 0 HD22 LEU A 64 -6.814 -10.243 10.713 1.00 73.41 H new ATOM 0 HD23 LEU A 64 -5.485 -9.068 10.577 1.00 73.41 H new ATOM 965 N LYS A 65 -8.810 -5.524 9.167 1.00 41.22 N ATOM 966 CA LYS A 65 -9.635 -5.086 8.054 1.00 13.41 C ATOM 967 C LYS A 65 -8.749 -4.426 6.996 1.00 63.33 C ATOM 968 O LYS A 65 -9.124 -4.348 5.827 1.00 34.21 O ATOM 969 CB LYS A 65 -10.771 -4.189 8.550 1.00 13.22 C ATOM 970 CG LYS A 65 -11.363 -3.368 7.402 1.00 31.15 C ATOM 971 CD LYS A 65 -12.370 -2.341 7.925 1.00 61.31 C ATOM 972 CE LYS A 65 -13.224 -2.934 9.047 1.00 15.54 C ATOM 973 NZ LYS A 65 -12.530 -2.809 10.348 1.00 23.23 N ATOM 0 H LYS A 65 -9.046 -5.102 10.065 1.00 41.22 H new ATOM 0 HA LYS A 65 -10.117 -5.940 7.579 1.00 13.41 H new ATOM 0 HB2 LYS A 65 -11.551 -4.801 9.004 1.00 13.22 H new ATOM 0 HB3 LYS A 65 -10.399 -3.520 9.326 1.00 13.22 H new ATOM 0 HG2 LYS A 65 -10.563 -2.858 6.865 1.00 31.15 H new ATOM 0 HG3 LYS A 65 -11.852 -4.032 6.690 1.00 31.15 H new ATOM 0 HD2 LYS A 65 -11.841 -1.461 8.292 1.00 61.31 H new ATOM 0 HD3 LYS A 65 -13.013 -2.009 7.110 1.00 61.31 H new ATOM 0 HE2 LYS A 65 -14.185 -2.422 9.090 1.00 15.54 H new ATOM 0 HE3 LYS A 65 -13.431 -3.983 8.838 1.00 15.54 H new ATOM 0 HZ1 LYS A 65 -12.200 -3.746 10.657 1.00 23.23 H new ATOM 0 HZ2 LYS A 65 -11.715 -2.171 10.247 1.00 23.23 H new ATOM 0 HZ3 LYS A 65 -13.187 -2.423 11.056 1.00 23.23 H new ATOM 986 N LEU A 66 -7.589 -3.969 7.443 1.00 3.42 N ATOM 987 CA LEU A 66 -6.646 -3.318 6.549 1.00 24.42 C ATOM 988 C LEU A 66 -5.651 -4.355 6.023 1.00 42.02 C ATOM 989 O LEU A 66 -4.517 -4.017 5.686 1.00 71.33 O ATOM 990 CB LEU A 66 -5.983 -2.127 7.244 1.00 64.31 C ATOM 991 CG LEU A 66 -6.931 -1.077 7.825 1.00 52.43 C ATOM 992 CD1 LEU A 66 -6.233 0.278 7.959 1.00 22.13 C ATOM 993 CD2 LEU A 66 -8.215 -0.980 6.998 1.00 42.13 C ATOM 0 H LEU A 66 -7.280 -4.036 8.413 1.00 3.42 H new ATOM 0 HA LEU A 66 -7.164 -2.904 5.684 1.00 24.42 H new ATOM 0 HB2 LEU A 66 -5.354 -2.506 8.050 1.00 64.31 H new ATOM 0 HB3 LEU A 66 -5.323 -1.636 6.529 1.00 64.31 H new ATOM 0 HG LEU A 66 -7.217 -1.393 8.828 1.00 52.43 H new ATOM 0 HD11 LEU A 66 -6.929 1.006 8.374 1.00 22.13 H new ATOM 0 HD12 LEU A 66 -5.372 0.180 8.621 1.00 22.13 H new ATOM 0 HD13 LEU A 66 -5.899 0.614 6.977 1.00 22.13 H new ATOM 0 HD21 LEU A 66 -8.872 -0.226 7.433 1.00 42.13 H new ATOM 0 HD22 LEU A 66 -7.968 -0.699 5.974 1.00 42.13 H new ATOM 0 HD23 LEU A 66 -8.721 -1.945 6.997 1.00 42.13 H new ATOM 1005 N PHE A 67 -6.111 -5.596 5.969 1.00 75.02 N ATOM 1006 CA PHE A 67 -5.276 -6.684 5.489 1.00 33.12 C ATOM 1007 C PHE A 67 -5.130 -6.633 3.967 1.00 4.21 C ATOM 1008 O PHE A 67 -4.449 -7.470 3.377 1.00 63.11 O ATOM 1009 CB PHE A 67 -5.974 -7.989 5.879 1.00 52.33 C ATOM 1010 CG PHE A 67 -5.369 -9.236 5.231 1.00 43.30 C ATOM 1011 CD1 PHE A 67 -6.039 -9.879 4.238 1.00 64.33 C ATOM 1012 CD2 PHE A 67 -4.161 -9.700 5.649 1.00 62.44 C ATOM 1013 CE1 PHE A 67 -5.477 -11.037 3.637 1.00 43.44 C ATOM 1014 CE2 PHE A 67 -3.599 -10.858 5.048 1.00 41.25 C ATOM 1015 CZ PHE A 67 -4.269 -11.501 4.054 1.00 22.52 C ATOM 0 H PHE A 67 -7.052 -5.873 6.250 1.00 75.02 H new ATOM 0 HA PHE A 67 -4.280 -6.609 5.925 1.00 33.12 H new ATOM 0 HB2 PHE A 67 -5.935 -8.100 6.963 1.00 52.33 H new ATOM 0 HB3 PHE A 67 -7.026 -7.923 5.603 1.00 52.33 H new ATOM 0 HD1 PHE A 67 -6.998 -9.510 3.906 1.00 64.33 H new ATOM 0 HD2 PHE A 67 -3.629 -9.188 6.438 1.00 62.44 H new ATOM 0 HE1 PHE A 67 -6.009 -11.549 2.849 1.00 43.44 H new ATOM 0 HE2 PHE A 67 -2.640 -11.228 5.380 1.00 41.25 H new ATOM 0 HZ PHE A 67 -3.841 -12.380 3.596 1.00 22.52 H new ATOM 1025 N LEU A 68 -5.779 -5.642 3.375 1.00 55.40 N ATOM 1026 CA LEU A 68 -5.730 -5.470 1.933 1.00 61.11 C ATOM 1027 C LEU A 68 -4.818 -4.289 1.595 1.00 25.32 C ATOM 1028 O LEU A 68 -4.230 -4.243 0.515 1.00 14.23 O ATOM 1029 CB LEU A 68 -7.143 -5.339 1.360 1.00 25.40 C ATOM 1030 CG LEU A 68 -7.963 -6.629 1.298 1.00 72.21 C ATOM 1031 CD1 LEU A 68 -9.202 -6.449 0.419 1.00 52.12 C ATOM 1032 CD2 LEU A 68 -7.101 -7.806 0.838 1.00 24.32 C ATOM 0 H LEU A 68 -6.342 -4.949 3.868 1.00 55.40 H new ATOM 0 HA LEU A 68 -5.299 -6.352 1.459 1.00 61.11 H new ATOM 0 HB2 LEU A 68 -7.691 -4.612 1.959 1.00 25.40 H new ATOM 0 HB3 LEU A 68 -7.069 -4.930 0.352 1.00 25.40 H new ATOM 0 HG LEU A 68 -8.312 -6.860 2.304 1.00 72.21 H new ATOM 0 HD11 LEU A 68 -9.767 -7.381 0.392 1.00 52.12 H new ATOM 0 HD12 LEU A 68 -9.828 -5.657 0.830 1.00 52.12 H new ATOM 0 HD13 LEU A 68 -8.895 -6.181 -0.592 1.00 52.12 H new ATOM 0 HD21 LEU A 68 -7.709 -8.710 0.803 1.00 24.32 H new ATOM 0 HD22 LEU A 68 -6.702 -7.598 -0.155 1.00 24.32 H new ATOM 0 HD23 LEU A 68 -6.278 -7.949 1.538 1.00 24.32 H new ATOM 1044 N GLN A 69 -4.727 -3.364 2.539 1.00 51.21 N ATOM 1045 CA GLN A 69 -3.896 -2.186 2.355 1.00 72.00 C ATOM 1046 C GLN A 69 -2.425 -2.531 2.598 1.00 54.21 C ATOM 1047 O GLN A 69 -1.559 -1.661 2.520 1.00 12.11 O ATOM 1048 CB GLN A 69 -4.350 -1.046 3.269 1.00 33.41 C ATOM 1049 CG GLN A 69 -5.629 -0.395 2.739 1.00 50.41 C ATOM 1050 CD GLN A 69 -6.224 0.565 3.771 1.00 10.15 C ATOM 1051 OE1 GLN A 69 -5.649 0.830 4.814 1.00 11.04 O ATOM 1052 NE2 GLN A 69 -7.405 1.069 3.424 1.00 4.51 N ATOM 0 H GLN A 69 -5.215 -3.406 3.434 1.00 51.21 H new ATOM 0 HA GLN A 69 -4.004 -1.846 1.325 1.00 72.00 H new ATOM 0 HB2 GLN A 69 -4.522 -1.428 4.275 1.00 33.41 H new ATOM 0 HB3 GLN A 69 -3.561 -0.298 3.343 1.00 33.41 H new ATOM 0 HG2 GLN A 69 -5.411 0.145 1.818 1.00 50.41 H new ATOM 0 HG3 GLN A 69 -6.358 -1.166 2.492 1.00 50.41 H new ATOM 0 HE21 GLN A 69 -7.831 0.805 2.536 1.00 4.51 H new ATOM 0 HE22 GLN A 69 -7.885 1.719 4.046 1.00 4.51 H new ATOM 1061 N ASN A 70 -2.189 -3.802 2.887 1.00 3.23 N ATOM 1062 CA ASN A 70 -0.838 -4.272 3.142 1.00 23.32 C ATOM 1063 C ASN A 70 -0.112 -4.473 1.810 1.00 13.40 C ATOM 1064 O ASN A 70 1.015 -4.012 1.638 1.00 40.14 O ATOM 1065 CB ASN A 70 -0.851 -5.613 3.879 1.00 12.34 C ATOM 1066 CG ASN A 70 -1.881 -6.564 3.268 1.00 73.50 C ATOM 1067 OD1 ASN A 70 -2.661 -6.203 2.402 1.00 33.41 O ATOM 1068 ND2 ASN A 70 -1.841 -7.797 3.765 1.00 22.31 N ATOM 0 H ASN A 70 -2.910 -4.521 2.950 1.00 3.23 H new ATOM 0 HA ASN A 70 -0.333 -3.527 3.757 1.00 23.32 H new ATOM 0 HB2 ASN A 70 0.139 -6.066 3.834 1.00 12.34 H new ATOM 0 HB3 ASN A 70 -1.080 -5.451 4.932 1.00 12.34 H new ATOM 0 HD21 ASN A 70 -2.489 -8.506 3.422 1.00 22.31 H new ATOM 0 HD22 ASN A 70 -1.163 -8.033 4.489 1.00 22.31 H new ATOM 1075 N PHE A 71 -0.789 -5.161 0.902 1.00 2.41 N ATOM 1076 CA PHE A 71 -0.223 -5.428 -0.409 1.00 41.33 C ATOM 1077 C PHE A 71 -0.501 -4.272 -1.372 1.00 54.24 C ATOM 1078 O PHE A 71 -0.346 -4.417 -2.584 1.00 20.41 O ATOM 1079 CB PHE A 71 -0.901 -6.693 -0.940 1.00 3.52 C ATOM 1080 CG PHE A 71 -0.582 -7.954 -0.134 1.00 53.31 C ATOM 1081 CD1 PHE A 71 0.586 -8.618 -0.344 1.00 10.34 C ATOM 1082 CD2 PHE A 71 -1.468 -8.411 0.792 1.00 43.34 C ATOM 1083 CE1 PHE A 71 0.881 -9.788 0.404 1.00 23.11 C ATOM 1084 CE2 PHE A 71 -1.172 -9.581 1.539 1.00 33.23 C ATOM 1085 CZ PHE A 71 -0.004 -10.245 1.330 1.00 60.22 C ATOM 0 H PHE A 71 -1.724 -5.541 1.049 1.00 2.41 H new ATOM 0 HA PHE A 71 0.858 -5.548 -0.330 1.00 41.33 H new ATOM 0 HB2 PHE A 71 -1.980 -6.540 -0.944 1.00 3.52 H new ATOM 0 HB3 PHE A 71 -0.597 -6.849 -1.975 1.00 3.52 H new ATOM 0 HD1 PHE A 71 1.289 -8.255 -1.079 1.00 10.34 H new ATOM 0 HD2 PHE A 71 -2.396 -7.884 0.958 1.00 43.34 H new ATOM 0 HE1 PHE A 71 1.809 -10.315 0.238 1.00 23.11 H new ATOM 0 HE2 PHE A 71 -1.875 -9.944 2.274 1.00 33.23 H new ATOM 0 HZ PHE A 71 0.221 -11.135 1.899 1.00 60.22 H new ATOM 1095 N LYS A 72 -0.908 -3.150 -0.798 1.00 12.45 N ATOM 1096 CA LYS A 72 -1.210 -1.970 -1.590 1.00 2.52 C ATOM 1097 C LYS A 72 -1.577 -0.814 -0.656 1.00 64.05 C ATOM 1098 O LYS A 72 -2.282 -1.010 0.332 1.00 53.42 O ATOM 1099 CB LYS A 72 -2.286 -2.284 -2.631 1.00 64.03 C ATOM 1100 CG LYS A 72 -2.114 -1.413 -3.877 1.00 64.05 C ATOM 1101 CD LYS A 72 -3.462 -1.144 -4.549 1.00 21.22 C ATOM 1102 CE LYS A 72 -3.835 -2.280 -5.504 1.00 31.15 C ATOM 1103 NZ LYS A 72 -5.234 -2.131 -5.964 1.00 63.34 N ATOM 0 H LYS A 72 -1.036 -3.033 0.207 1.00 12.45 H new ATOM 0 HA LYS A 72 -0.333 -1.657 -2.156 1.00 2.52 H new ATOM 0 HB2 LYS A 72 -2.232 -3.337 -2.909 1.00 64.03 H new ATOM 0 HB3 LYS A 72 -3.273 -2.118 -2.200 1.00 64.03 H new ATOM 0 HG2 LYS A 72 -1.646 -0.468 -3.602 1.00 64.05 H new ATOM 0 HG3 LYS A 72 -1.445 -1.908 -4.581 1.00 64.05 H new ATOM 0 HD2 LYS A 72 -4.236 -1.034 -3.789 1.00 21.22 H new ATOM 0 HD3 LYS A 72 -3.418 -0.203 -5.097 1.00 21.22 H new ATOM 0 HE2 LYS A 72 -3.162 -2.278 -6.361 1.00 31.15 H new ATOM 0 HE3 LYS A 72 -3.711 -3.240 -5.003 1.00 31.15 H new ATOM 0 HZ1 LYS A 72 -5.471 -2.910 -6.611 1.00 63.34 H new ATOM 0 HZ2 LYS A 72 -5.873 -2.155 -5.144 1.00 63.34 H new ATOM 0 HZ3 LYS A 72 -5.341 -1.223 -6.460 1.00 63.34 H new ATOM 1116 N ALA A 73 -1.081 0.365 -1.003 1.00 62.32 N ATOM 1117 CA ALA A 73 -1.348 1.552 -0.209 1.00 25.23 C ATOM 1118 C ALA A 73 -2.635 2.213 -0.705 1.00 1.44 C ATOM 1119 O ALA A 73 -2.920 3.360 -0.362 1.00 23.23 O ATOM 1120 CB ALA A 73 -0.144 2.494 -0.278 1.00 22.41 C ATOM 0 H ALA A 73 -0.496 0.523 -1.823 1.00 62.32 H new ATOM 0 HA ALA A 73 -1.496 1.288 0.838 1.00 25.23 H new ATOM 0 HB1 ALA A 73 -0.344 3.385 0.318 1.00 22.41 H new ATOM 0 HB2 ALA A 73 0.738 1.987 0.113 1.00 22.41 H new ATOM 0 HB3 ALA A 73 0.033 2.783 -1.314 1.00 22.41 H new ATOM 1126 N GLY A 74 -3.378 1.463 -1.504 1.00 34.52 N ATOM 1127 CA GLY A 74 -4.629 1.962 -2.050 1.00 62.23 C ATOM 1128 C GLY A 74 -5.668 0.844 -2.152 1.00 31.42 C ATOM 1129 O GLY A 74 -6.546 0.883 -3.013 1.00 2.33 O ATOM 0 H GLY A 74 -3.138 0.513 -1.787 1.00 34.52 H new ATOM 0 HA2 GLY A 74 -5.012 2.763 -1.417 1.00 62.23 H new ATOM 0 HA3 GLY A 74 -4.454 2.391 -3.036 1.00 62.23 H new ATOM 1133 N ALA A 75 -5.535 -0.128 -1.260 1.00 44.45 N ATOM 1134 CA ALA A 75 -6.451 -1.255 -1.239 1.00 13.21 C ATOM 1135 C ALA A 75 -7.732 -0.851 -0.506 1.00 52.11 C ATOM 1136 O ALA A 75 -7.901 0.310 -0.137 1.00 4.22 O ATOM 1137 CB ALA A 75 -5.764 -2.459 -0.592 1.00 34.21 C ATOM 0 H ALA A 75 -4.806 -0.157 -0.547 1.00 44.45 H new ATOM 0 HA ALA A 75 -6.728 -1.544 -2.253 1.00 13.21 H new ATOM 0 HB1 ALA A 75 -6.451 -3.305 -0.576 1.00 34.21 H new ATOM 0 HB2 ALA A 75 -4.876 -2.723 -1.166 1.00 34.21 H new ATOM 0 HB3 ALA A 75 -5.474 -2.208 0.428 1.00 34.21 H new ATOM 1143 N ARG A 76 -8.602 -1.832 -0.318 1.00 35.03 N ATOM 1144 CA ARG A 76 -9.863 -1.593 0.364 1.00 32.43 C ATOM 1145 C ARG A 76 -9.820 -2.175 1.779 1.00 43.40 C ATOM 1146 O ARG A 76 -8.762 -2.587 2.252 1.00 21.31 O ATOM 1147 CB ARG A 76 -11.031 -2.220 -0.401 1.00 45.52 C ATOM 1148 CG ARG A 76 -10.908 -3.744 -0.436 1.00 73.33 C ATOM 1149 CD ARG A 76 -12.287 -4.403 -0.520 1.00 62.03 C ATOM 1150 NE ARG A 76 -12.150 -5.874 -0.440 1.00 72.52 N ATOM 1151 CZ ARG A 76 -13.119 -6.701 0.007 1.00 72.33 C ATOM 1152 NH1 ARG A 76 -12.889 -8.001 0.035 1.00 1.23 N ATOM 1153 NH2 ARG A 76 -14.306 -6.207 0.418 1.00 0.33 N ATOM 0 H ARG A 76 -8.459 -2.794 -0.626 1.00 35.03 H new ATOM 0 HA ARG A 76 -10.013 -0.515 0.414 1.00 32.43 H new ATOM 0 HB2 ARG A 76 -11.972 -1.938 0.071 1.00 45.52 H new ATOM 0 HB3 ARG A 76 -11.055 -1.830 -1.419 1.00 45.52 H new ATOM 0 HG2 ARG A 76 -10.305 -4.044 -1.293 1.00 73.33 H new ATOM 0 HG3 ARG A 76 -10.389 -4.091 0.457 1.00 73.33 H new ATOM 0 HD2 ARG A 76 -12.921 -4.044 0.291 1.00 62.03 H new ATOM 0 HD3 ARG A 76 -12.776 -4.125 -1.454 1.00 62.03 H new ATOM 0 HE ARG A 76 -11.268 -6.289 -0.741 1.00 72.52 H new ATOM 0 HH11 ARG A 76 -11.990 -8.367 -0.278 1.00 1.23 H new ATOM 0 HH12 ARG A 76 -13.611 -8.639 0.370 1.00 1.23 H new ATOM 0 HH21 ARG A 76 -14.476 -5.202 0.392 1.00 0.33 H new ATOM 0 HH22 ARG A 76 -15.033 -6.839 0.754 1.00 0.33 H new ATOM 1166 N ALA A 77 -10.982 -2.189 2.415 1.00 50.54 N ATOM 1167 CA ALA A 77 -11.090 -2.712 3.766 1.00 60.33 C ATOM 1168 C ALA A 77 -12.039 -3.913 3.768 1.00 3.34 C ATOM 1169 O ALA A 77 -13.049 -3.912 3.066 1.00 3.34 O ATOM 1170 CB ALA A 77 -11.554 -1.600 4.709 1.00 62.51 C ATOM 0 H ALA A 77 -11.857 -1.846 2.019 1.00 50.54 H new ATOM 0 HA ALA A 77 -10.120 -3.057 4.123 1.00 60.33 H new ATOM 0 HB1 ALA A 77 -11.635 -1.993 5.723 1.00 62.51 H new ATOM 0 HB2 ALA A 77 -10.832 -0.784 4.693 1.00 62.51 H new ATOM 0 HB3 ALA A 77 -12.527 -1.230 4.385 1.00 62.51 H new ATOM 1176 N LEU A 78 -11.680 -4.908 4.566 1.00 70.01 N ATOM 1177 CA LEU A 78 -12.487 -6.112 4.669 1.00 22.12 C ATOM 1178 C LEU A 78 -13.800 -5.781 5.381 1.00 72.33 C ATOM 1179 O LEU A 78 -13.854 -4.863 6.197 1.00 23.15 O ATOM 1180 CB LEU A 78 -11.691 -7.235 5.338 1.00 2.41 C ATOM 1181 CG LEU A 78 -10.511 -7.789 4.537 1.00 22.23 C ATOM 1182 CD1 LEU A 78 -10.867 -7.920 3.055 1.00 1.52 C ATOM 1183 CD2 LEU A 78 -9.255 -6.942 4.753 1.00 53.32 C ATOM 0 H LEU A 78 -10.842 -4.905 5.147 1.00 70.01 H new ATOM 0 HA LEU A 78 -12.746 -6.483 3.677 1.00 22.12 H new ATOM 0 HB2 LEU A 78 -11.316 -6.868 6.293 1.00 2.41 H new ATOM 0 HB3 LEU A 78 -12.373 -8.056 5.557 1.00 2.41 H new ATOM 0 HG LEU A 78 -10.290 -8.791 4.904 1.00 22.23 H new ATOM 0 HD11 LEU A 78 -10.011 -8.316 2.509 1.00 1.52 H new ATOM 0 HD12 LEU A 78 -11.714 -8.597 2.943 1.00 1.52 H new ATOM 0 HD13 LEU A 78 -11.130 -6.940 2.656 1.00 1.52 H new ATOM 0 HD21 LEU A 78 -8.432 -7.358 4.172 1.00 53.32 H new ATOM 0 HD22 LEU A 78 -9.446 -5.919 4.430 1.00 53.32 H new ATOM 0 HD23 LEU A 78 -8.991 -6.945 5.811 1.00 53.32 H new ATOM 1195 N SER A 79 -14.827 -6.548 5.045 1.00 55.43 N ATOM 1196 CA SER A 79 -16.137 -6.347 5.641 1.00 32.43 C ATOM 1197 C SER A 79 -16.088 -6.676 7.135 1.00 63.23 C ATOM 1198 O SER A 79 -15.337 -7.554 7.556 1.00 22.51 O ATOM 1199 CB SER A 79 -17.197 -7.203 4.944 1.00 25.32 C ATOM 1200 OG SER A 79 -18.502 -6.645 5.070 1.00 45.33 O ATOM 0 H SER A 79 -14.778 -7.309 4.368 1.00 55.43 H new ATOM 0 HA SER A 79 -16.413 -5.300 5.514 1.00 32.43 H new ATOM 0 HB2 SER A 79 -16.946 -7.302 3.888 1.00 25.32 H new ATOM 0 HB3 SER A 79 -17.189 -8.207 5.369 1.00 25.32 H new ATOM 0 HG SER A 79 -19.149 -7.220 4.611 1.00 45.33 H new ATOM 1206 N ASP A 80 -16.898 -5.953 7.894 1.00 24.32 N ATOM 1207 CA ASP A 80 -16.956 -6.157 9.332 1.00 63.12 C ATOM 1208 C ASP A 80 -16.900 -7.656 9.633 1.00 63.14 C ATOM 1209 O ASP A 80 -16.338 -8.069 10.646 1.00 45.02 O ATOM 1210 CB ASP A 80 -18.259 -5.606 9.914 1.00 60.41 C ATOM 1211 CG ASP A 80 -18.164 -5.111 11.358 1.00 23.03 C ATOM 1212 OD1 ASP A 80 -17.897 -3.927 11.611 1.00 15.40 O ATOM 1213 OD2 ASP A 80 -18.379 -6.010 12.258 1.00 4.02 O ATOM 0 H ASP A 80 -17.519 -5.225 7.541 1.00 24.32 H new ATOM 0 HA ASP A 80 -16.111 -5.635 9.781 1.00 63.12 H new ATOM 0 HB2 ASP A 80 -18.601 -4.783 9.286 1.00 60.41 H new ATOM 0 HB3 ASP A 80 -19.020 -6.384 9.862 1.00 60.41 H new ATOM 1219 N ALA A 81 -17.490 -8.430 8.734 1.00 73.01 N ATOM 1220 CA ALA A 81 -17.515 -9.874 8.890 1.00 23.45 C ATOM 1221 C ALA A 81 -16.161 -10.451 8.472 1.00 60.43 C ATOM 1222 O ALA A 81 -15.540 -11.198 9.227 1.00 40.12 O ATOM 1223 CB ALA A 81 -18.673 -10.457 8.078 1.00 11.41 C ATOM 0 H ALA A 81 -17.955 -8.084 7.895 1.00 73.01 H new ATOM 0 HA ALA A 81 -17.681 -10.144 9.933 1.00 23.45 H new ATOM 0 HB1 ALA A 81 -18.691 -11.540 8.196 1.00 11.41 H new ATOM 0 HB2 ALA A 81 -19.614 -10.038 8.434 1.00 11.41 H new ATOM 0 HB3 ALA A 81 -18.540 -10.209 7.025 1.00 11.41 H new ATOM 1229 N GLU A 82 -15.743 -10.084 7.269 1.00 13.44 N ATOM 1230 CA GLU A 82 -14.475 -10.555 6.741 1.00 25.31 C ATOM 1231 C GLU A 82 -13.378 -10.425 7.800 1.00 65.42 C ATOM 1232 O GLU A 82 -12.584 -11.345 7.993 1.00 71.23 O ATOM 1233 CB GLU A 82 -14.097 -9.800 5.465 1.00 32.21 C ATOM 1234 CG GLU A 82 -14.903 -10.309 4.268 1.00 13.13 C ATOM 1235 CD GLU A 82 -14.656 -9.442 3.032 1.00 12.53 C ATOM 1236 OE1 GLU A 82 -15.143 -9.767 1.939 1.00 14.44 O ATOM 1237 OE2 GLU A 82 -13.930 -8.395 3.237 1.00 63.42 O ATOM 0 H GLU A 82 -16.261 -9.465 6.645 1.00 13.44 H new ATOM 0 HA GLU A 82 -14.581 -11.609 6.482 1.00 25.31 H new ATOM 0 HB2 GLU A 82 -14.277 -8.734 5.602 1.00 32.21 H new ATOM 0 HB3 GLU A 82 -13.032 -9.921 5.269 1.00 32.21 H new ATOM 0 HG2 GLU A 82 -14.629 -11.342 4.053 1.00 13.13 H new ATOM 0 HG3 GLU A 82 -15.965 -10.306 4.512 1.00 13.13 H new ATOM 1245 N THR A 83 -13.368 -9.276 8.458 1.00 1.40 N ATOM 1246 CA THR A 83 -12.381 -9.013 9.492 1.00 34.52 C ATOM 1247 C THR A 83 -12.652 -9.884 10.721 1.00 72.45 C ATOM 1248 O THR A 83 -11.734 -10.206 11.473 1.00 64.14 O ATOM 1249 CB THR A 83 -12.400 -7.514 9.794 1.00 13.24 C ATOM 1250 OG1 THR A 83 -12.091 -6.904 8.544 1.00 11.23 O ATOM 1251 CG2 THR A 83 -11.252 -7.087 10.711 1.00 14.35 C ATOM 0 H THR A 83 -14.028 -8.515 8.295 1.00 1.40 H new ATOM 0 HA THR A 83 -11.378 -9.279 9.158 1.00 34.52 H new ATOM 0 HB THR A 83 -13.351 -7.249 10.256 1.00 13.24 H new ATOM 0 HG1 THR A 83 -12.887 -6.451 8.195 1.00 11.23 H new ATOM 0 HG21 THR A 83 -11.312 -6.014 10.894 1.00 14.35 H new ATOM 0 HG22 THR A 83 -11.325 -7.621 11.658 1.00 14.35 H new ATOM 0 HG23 THR A 83 -10.300 -7.321 10.235 1.00 14.35 H new ATOM 1259 N LYS A 84 -13.917 -10.241 10.886 1.00 74.32 N ATOM 1260 CA LYS A 84 -14.321 -11.069 12.010 1.00 1.31 C ATOM 1261 C LYS A 84 -13.808 -12.494 11.798 1.00 23.45 C ATOM 1262 O LYS A 84 -13.274 -13.109 12.721 1.00 72.23 O ATOM 1263 CB LYS A 84 -15.834 -10.985 12.221 1.00 1.34 C ATOM 1264 CG LYS A 84 -16.187 -9.887 13.227 1.00 41.32 C ATOM 1265 CD LYS A 84 -17.487 -10.215 13.963 1.00 54.11 C ATOM 1266 CE LYS A 84 -18.705 -9.915 13.086 1.00 64.02 C ATOM 1267 NZ LYS A 84 -19.849 -10.768 13.478 1.00 63.12 N ATOM 0 H LYS A 84 -14.676 -9.972 10.260 1.00 74.32 H new ATOM 0 HA LYS A 84 -13.873 -10.702 12.934 1.00 1.31 H new ATOM 0 HB2 LYS A 84 -16.327 -10.784 11.270 1.00 1.34 H new ATOM 0 HB3 LYS A 84 -16.209 -11.944 12.578 1.00 1.34 H new ATOM 0 HG2 LYS A 84 -15.376 -9.774 13.947 1.00 41.32 H new ATOM 0 HG3 LYS A 84 -16.289 -8.933 12.709 1.00 41.32 H new ATOM 0 HD2 LYS A 84 -17.491 -11.267 14.250 1.00 54.11 H new ATOM 0 HD3 LYS A 84 -17.545 -9.633 14.883 1.00 54.11 H new ATOM 0 HE2 LYS A 84 -18.978 -8.864 13.180 1.00 64.02 H new ATOM 0 HE3 LYS A 84 -18.458 -10.087 12.039 1.00 64.02 H new ATOM 0 HZ1 LYS A 84 -20.667 -10.552 12.873 1.00 63.12 H new ATOM 0 HZ2 LYS A 84 -19.590 -11.769 13.365 1.00 63.12 H new ATOM 0 HZ3 LYS A 84 -20.095 -10.584 14.472 1.00 63.12 H new ATOM 1280 N ALA A 85 -13.987 -12.979 10.578 1.00 10.24 N ATOM 1281 CA ALA A 85 -13.549 -14.321 10.234 1.00 42.30 C ATOM 1282 C ALA A 85 -12.020 -14.373 10.249 1.00 3.30 C ATOM 1283 O ALA A 85 -11.432 -15.294 10.814 1.00 0.54 O ATOM 1284 CB ALA A 85 -14.132 -14.716 8.876 1.00 53.41 C ATOM 0 H ALA A 85 -14.430 -12.466 9.815 1.00 10.24 H new ATOM 0 HA ALA A 85 -13.911 -15.042 10.967 1.00 42.30 H new ATOM 0 HB1 ALA A 85 -13.803 -15.723 8.618 1.00 53.41 H new ATOM 0 HB2 ALA A 85 -15.221 -14.691 8.926 1.00 53.41 H new ATOM 0 HB3 ALA A 85 -13.788 -14.016 8.115 1.00 53.41 H new ATOM 1290 N PHE A 86 -11.419 -13.373 9.621 1.00 53.40 N ATOM 1291 CA PHE A 86 -9.970 -13.293 9.555 1.00 1.20 C ATOM 1292 C PHE A 86 -9.376 -12.965 10.926 1.00 22.55 C ATOM 1293 O PHE A 86 -8.169 -13.092 11.131 1.00 54.25 O ATOM 1294 CB PHE A 86 -9.628 -12.163 8.582 1.00 70.15 C ATOM 1295 CG PHE A 86 -8.164 -12.147 8.136 1.00 12.14 C ATOM 1296 CD1 PHE A 86 -7.522 -13.316 7.870 1.00 44.42 C ATOM 1297 CD2 PHE A 86 -7.506 -10.964 8.008 1.00 63.04 C ATOM 1298 CE1 PHE A 86 -6.163 -13.301 7.457 1.00 52.52 C ATOM 1299 CE2 PHE A 86 -6.147 -10.949 7.595 1.00 71.04 C ATOM 1300 CZ PHE A 86 -5.505 -12.118 7.328 1.00 45.31 C ATOM 0 H PHE A 86 -11.910 -12.611 9.153 1.00 53.40 H new ATOM 0 HA PHE A 86 -9.560 -14.249 9.230 1.00 1.20 H new ATOM 0 HB2 PHE A 86 -10.264 -12.251 7.701 1.00 70.15 H new ATOM 0 HB3 PHE A 86 -9.864 -11.208 9.052 1.00 70.15 H new ATOM 0 HD1 PHE A 86 -8.045 -14.255 7.973 1.00 44.42 H new ATOM 0 HD2 PHE A 86 -8.016 -10.036 8.220 1.00 63.04 H new ATOM 0 HE1 PHE A 86 -5.652 -14.229 7.245 1.00 52.52 H new ATOM 0 HE2 PHE A 86 -5.624 -10.010 7.493 1.00 71.04 H new ATOM 0 HZ PHE A 86 -4.472 -12.107 7.013 1.00 45.31 H new ATOM 1310 N LEU A 87 -10.251 -12.551 11.831 1.00 25.32 N ATOM 1311 CA LEU A 87 -9.828 -12.205 13.178 1.00 44.15 C ATOM 1312 C LEU A 87 -9.753 -13.475 14.027 1.00 63.43 C ATOM 1313 O LEU A 87 -8.682 -13.842 14.509 1.00 12.42 O ATOM 1314 CB LEU A 87 -10.739 -11.126 13.765 1.00 55.34 C ATOM 1315 CG LEU A 87 -10.669 -10.940 15.282 1.00 63.33 C ATOM 1316 CD1 LEU A 87 -9.307 -10.384 15.703 1.00 14.21 C ATOM 1317 CD2 LEU A 87 -11.823 -10.070 15.782 1.00 34.22 C ATOM 0 H LEU A 87 -11.251 -12.447 11.658 1.00 25.32 H new ATOM 0 HA LEU A 87 -8.828 -11.772 13.163 1.00 44.15 H new ATOM 0 HB2 LEU A 87 -10.495 -10.175 13.291 1.00 55.34 H new ATOM 0 HB3 LEU A 87 -11.768 -11.362 13.495 1.00 55.34 H new ATOM 0 HG LEU A 87 -10.777 -11.918 15.752 1.00 63.33 H new ATOM 0 HD11 LEU A 87 -9.283 -10.261 16.786 1.00 14.21 H new ATOM 0 HD12 LEU A 87 -8.522 -11.076 15.399 1.00 14.21 H new ATOM 0 HD13 LEU A 87 -9.145 -9.418 15.225 1.00 14.21 H new ATOM 0 HD21 LEU A 87 -11.749 -9.954 16.863 1.00 34.22 H new ATOM 0 HD22 LEU A 87 -11.772 -9.090 15.307 1.00 34.22 H new ATOM 0 HD23 LEU A 87 -12.772 -10.545 15.532 1.00 34.22 H new ATOM 1329 N LYS A 88 -10.904 -14.113 14.183 1.00 4.23 N ATOM 1330 CA LYS A 88 -10.982 -15.335 14.966 1.00 50.42 C ATOM 1331 C LYS A 88 -10.145 -16.423 14.290 1.00 53.32 C ATOM 1332 O LYS A 88 -9.611 -17.306 14.959 1.00 14.20 O ATOM 1333 CB LYS A 88 -12.442 -15.733 15.192 1.00 22.12 C ATOM 1334 CG LYS A 88 -13.001 -15.074 16.455 1.00 44.22 C ATOM 1335 CD LYS A 88 -14.530 -15.107 16.460 1.00 72.23 C ATOM 1336 CE LYS A 88 -15.081 -14.790 17.851 1.00 11.33 C ATOM 1337 NZ LYS A 88 -16.555 -14.660 17.808 1.00 3.31 N ATOM 0 H LYS A 88 -11.790 -13.807 13.781 1.00 4.23 H new ATOM 0 HA LYS A 88 -10.560 -15.180 15.959 1.00 50.42 H new ATOM 0 HB2 LYS A 88 -13.040 -15.440 14.329 1.00 22.12 H new ATOM 0 HB3 LYS A 88 -12.518 -16.817 15.279 1.00 22.12 H new ATOM 0 HG2 LYS A 88 -12.620 -15.589 17.337 1.00 44.22 H new ATOM 0 HG3 LYS A 88 -12.656 -14.042 16.514 1.00 44.22 H new ATOM 0 HD2 LYS A 88 -14.915 -14.386 15.739 1.00 72.23 H new ATOM 0 HD3 LYS A 88 -14.877 -16.090 16.143 1.00 72.23 H new ATOM 0 HE2 LYS A 88 -14.800 -15.579 18.548 1.00 11.33 H new ATOM 0 HE3 LYS A 88 -14.639 -13.865 18.221 1.00 11.33 H new ATOM 0 HZ1 LYS A 88 -16.912 -14.445 18.761 1.00 3.31 H new ATOM 0 HZ2 LYS A 88 -16.817 -13.891 17.158 1.00 3.31 H new ATOM 0 HZ3 LYS A 88 -16.973 -15.552 17.475 1.00 3.31 H new ATOM 1350 N ALA A 89 -10.057 -16.323 12.972 1.00 73.25 N ATOM 1351 CA ALA A 89 -9.295 -17.288 12.198 1.00 44.15 C ATOM 1352 C ALA A 89 -7.829 -17.240 12.633 1.00 44.44 C ATOM 1353 O ALA A 89 -7.122 -18.243 12.557 1.00 24.42 O ATOM 1354 CB ALA A 89 -9.470 -16.998 10.705 1.00 22.44 C ATOM 0 H ALA A 89 -10.501 -15.589 12.420 1.00 73.25 H new ATOM 0 HA ALA A 89 -9.660 -18.299 12.379 1.00 44.15 H new ATOM 0 HB1 ALA A 89 -8.898 -17.722 10.124 1.00 22.44 H new ATOM 0 HB2 ALA A 89 -10.525 -17.073 10.441 1.00 22.44 H new ATOM 0 HB3 ALA A 89 -9.112 -15.992 10.485 1.00 22.44 H new ATOM 1360 N GLY A 90 -7.415 -16.062 13.078 1.00 33.44 N ATOM 1361 CA GLY A 90 -6.046 -15.870 13.526 1.00 72.14 C ATOM 1362 C GLY A 90 -5.980 -15.736 15.048 1.00 35.34 C ATOM 1363 O GLY A 90 -5.455 -16.615 15.730 1.00 34.13 O ATOM 0 H GLY A 90 -8.004 -15.231 13.138 1.00 33.44 H new ATOM 0 HA2 GLY A 90 -5.433 -16.712 13.205 1.00 72.14 H new ATOM 0 HA3 GLY A 90 -5.629 -14.977 13.060 1.00 72.14 H new ATOM 1367 N ASP A 91 -6.521 -14.630 15.537 1.00 1.31 N ATOM 1368 CA ASP A 91 -6.530 -14.369 16.967 1.00 72.54 C ATOM 1369 C ASP A 91 -7.212 -15.534 17.688 1.00 4.11 C ATOM 1370 O ASP A 91 -8.433 -15.669 17.641 1.00 53.33 O ATOM 1371 CB ASP A 91 -7.309 -13.093 17.289 1.00 52.21 C ATOM 1372 CG ASP A 91 -6.801 -12.315 18.504 1.00 1.43 C ATOM 1373 OD1 ASP A 91 -5.628 -12.427 18.890 1.00 63.13 O ATOM 1374 OD2 ASP A 91 -7.677 -11.556 19.071 1.00 20.34 O ATOM 0 H ASP A 91 -6.957 -13.904 14.968 1.00 1.31 H new ATOM 0 HA ASP A 91 -5.497 -14.253 17.296 1.00 72.54 H new ATOM 0 HB2 ASP A 91 -7.279 -12.438 16.418 1.00 52.21 H new ATOM 0 HB3 ASP A 91 -8.354 -13.355 17.455 1.00 52.21 H new ATOM 1380 N SER A 92 -6.392 -16.346 18.339 1.00 2.35 N ATOM 1381 CA SER A 92 -6.900 -17.494 19.070 1.00 71.40 C ATOM 1382 C SER A 92 -7.569 -17.035 20.367 1.00 74.30 C ATOM 1383 O SER A 92 -8.496 -17.622 20.891 1.00 61.15 O ATOM 1384 CB SER A 92 -5.781 -18.492 19.374 1.00 33.55 C ATOM 1385 OG SER A 92 -5.201 -18.269 20.657 1.00 70.13 O ATOM 0 H SER A 92 -5.379 -16.231 18.375 1.00 2.35 H new ATOM 0 HA SER A 92 -7.639 -17.997 18.446 1.00 71.40 H new ATOM 0 HB2 SER A 92 -6.177 -19.506 19.326 1.00 33.55 H new ATOM 0 HB3 SER A 92 -5.009 -18.415 18.609 1.00 33.55 H new ATOM 0 HG SER A 92 -4.492 -18.927 20.814 1.00 70.13 H new ATOM 1391 N ASP A 93 -7.072 -15.948 20.889 1.00 31.31 N ATOM 1392 CA ASP A 93 -7.641 -15.395 22.150 1.00 35.11 C ATOM 1393 C ASP A 93 -8.776 -14.417 21.827 1.00 3.24 C ATOM 1394 O ASP A 93 -9.481 -14.026 22.757 1.00 61.44 O ATOM 1395 CB ASP A 93 -6.478 -14.666 22.823 1.00 52.51 C ATOM 1396 CG ASP A 93 -6.201 -13.355 22.085 1.00 12.43 C ATOM 1397 OD1 ASP A 93 -5.613 -12.471 22.688 1.00 52.14 O ATOM 1398 OD2 ASP A 93 -6.583 -13.254 20.931 1.00 44.05 O ATOM 0 H ASP A 93 -6.295 -15.418 20.496 1.00 31.31 H new ATOM 0 HA ASP A 93 -8.060 -16.170 22.792 1.00 35.11 H new ATOM 0 HB2 ASP A 93 -6.717 -14.464 23.867 1.00 52.51 H new ATOM 0 HB3 ASP A 93 -5.588 -15.295 22.816 1.00 52.51 H new ATOM 1403 N GLY A 94 -8.926 -14.046 20.564 1.00 22.14 N ATOM 1404 CA GLY A 94 -9.974 -13.117 20.176 1.00 21.44 C ATOM 1405 C GLY A 94 -10.057 -11.944 21.155 1.00 63.11 C ATOM 1406 O GLY A 94 -11.114 -11.680 21.725 1.00 54.25 O ATOM 0 H GLY A 94 -8.339 -14.372 19.796 1.00 22.14 H new ATOM 0 HA2 GLY A 94 -9.780 -12.743 19.171 1.00 21.44 H new ATOM 0 HA3 GLY A 94 -10.932 -13.637 20.143 1.00 21.44 H new ATOM 1410 N ASP A 95 -8.927 -11.272 21.320 1.00 51.10 N ATOM 1411 CA ASP A 95 -8.859 -10.133 22.220 1.00 45.03 C ATOM 1412 C ASP A 95 -9.121 -8.849 21.431 1.00 41.33 C ATOM 1413 O ASP A 95 -9.526 -7.837 22.001 1.00 3.04 O ATOM 1414 CB ASP A 95 -7.474 -10.020 22.860 1.00 2.33 C ATOM 1415 CG ASP A 95 -6.379 -9.475 21.941 1.00 2.43 C ATOM 1416 OD1 ASP A 95 -5.937 -10.153 21.002 1.00 24.24 O ATOM 1417 OD2 ASP A 95 -5.972 -8.284 22.225 1.00 52.54 O ATOM 0 H ASP A 95 -8.052 -11.494 20.846 1.00 51.10 H new ATOM 0 HA ASP A 95 -9.607 -10.274 23.000 1.00 45.03 H new ATOM 0 HB2 ASP A 95 -7.547 -9.375 23.736 1.00 2.33 H new ATOM 0 HB3 ASP A 95 -7.173 -11.006 23.214 1.00 2.33 H new ATOM 1423 N GLY A 96 -8.880 -8.931 20.131 1.00 64.14 N ATOM 1424 CA GLY A 96 -9.085 -7.788 19.257 1.00 2.03 C ATOM 1425 C GLY A 96 -7.804 -7.445 18.494 1.00 52.35 C ATOM 1426 O GLY A 96 -7.838 -6.684 17.527 1.00 35.42 O ATOM 0 H GLY A 96 -8.544 -9.772 19.661 1.00 64.14 H new ATOM 0 HA2 GLY A 96 -9.886 -8.005 18.551 1.00 2.03 H new ATOM 0 HA3 GLY A 96 -9.403 -6.928 19.846 1.00 2.03 H new ATOM 1430 N LYS A 97 -6.705 -8.022 18.956 1.00 42.32 N ATOM 1431 CA LYS A 97 -5.416 -7.786 18.328 1.00 25.32 C ATOM 1432 C LYS A 97 -4.830 -9.120 17.860 1.00 72.12 C ATOM 1433 O LYS A 97 -4.992 -10.141 18.526 1.00 73.42 O ATOM 1434 CB LYS A 97 -4.495 -7.008 19.270 1.00 12.24 C ATOM 1435 CG LYS A 97 -5.278 -5.952 20.054 1.00 74.33 C ATOM 1436 CD LYS A 97 -4.332 -4.999 20.787 1.00 71.42 C ATOM 1437 CE LYS A 97 -3.744 -5.663 22.034 1.00 42.33 C ATOM 1438 NZ LYS A 97 -2.608 -4.870 22.555 1.00 11.15 N ATOM 0 H LYS A 97 -6.680 -8.652 19.758 1.00 42.32 H new ATOM 0 HA LYS A 97 -5.533 -7.160 17.444 1.00 25.32 H new ATOM 0 HB2 LYS A 97 -4.012 -7.697 19.963 1.00 12.24 H new ATOM 0 HB3 LYS A 97 -3.704 -6.527 18.695 1.00 12.24 H new ATOM 0 HG2 LYS A 97 -5.914 -5.386 19.373 1.00 74.33 H new ATOM 0 HG3 LYS A 97 -5.936 -6.441 20.773 1.00 74.33 H new ATOM 0 HD2 LYS A 97 -3.527 -4.695 20.119 1.00 71.42 H new ATOM 0 HD3 LYS A 97 -4.869 -4.094 21.071 1.00 71.42 H new ATOM 0 HE2 LYS A 97 -4.513 -5.756 22.801 1.00 42.33 H new ATOM 0 HE3 LYS A 97 -3.411 -6.672 21.793 1.00 42.33 H new ATOM 0 HZ1 LYS A 97 -2.416 -5.143 23.540 1.00 11.15 H new ATOM 0 HZ2 LYS A 97 -1.764 -5.051 21.975 1.00 11.15 H new ATOM 0 HZ3 LYS A 97 -2.844 -3.858 22.516 1.00 11.15 H new ATOM 1451 N ILE A 98 -4.162 -9.068 16.717 1.00 4.41 N ATOM 1452 CA ILE A 98 -3.551 -10.259 16.152 1.00 52.12 C ATOM 1453 C ILE A 98 -2.040 -10.049 16.041 1.00 42.54 C ATOM 1454 O ILE A 98 -1.573 -9.332 15.157 1.00 4.51 O ATOM 1455 CB ILE A 98 -4.220 -10.626 14.826 1.00 53.24 C ATOM 1456 CG1 ILE A 98 -5.522 -11.394 15.062 1.00 13.34 C ATOM 1457 CG2 ILE A 98 -3.257 -11.396 13.920 1.00 20.23 C ATOM 1458 CD1 ILE A 98 -5.963 -12.129 13.795 1.00 32.44 C ATOM 0 H ILE A 98 -4.030 -8.219 16.167 1.00 4.41 H new ATOM 0 HA ILE A 98 -3.706 -11.115 16.809 1.00 52.12 H new ATOM 0 HB ILE A 98 -4.480 -9.703 14.309 1.00 53.24 H new ATOM 0 HG12 ILE A 98 -5.384 -12.110 15.872 1.00 13.34 H new ATOM 0 HG13 ILE A 98 -6.304 -10.703 15.377 1.00 13.34 H new ATOM 0 HG21 ILE A 98 -3.758 -11.644 12.984 1.00 20.23 H new ATOM 0 HG22 ILE A 98 -2.383 -10.780 13.711 1.00 20.23 H new ATOM 0 HG23 ILE A 98 -2.943 -12.313 14.418 1.00 20.23 H new ATOM 0 HD11 ILE A 98 -6.891 -12.667 13.991 1.00 32.44 H new ATOM 0 HD12 ILE A 98 -6.123 -11.408 12.993 1.00 32.44 H new ATOM 0 HD13 ILE A 98 -5.189 -12.837 13.497 1.00 32.44 H new ATOM 1470 N GLY A 99 -1.317 -10.687 16.950 1.00 54.35 N ATOM 1471 CA GLY A 99 0.132 -10.579 16.965 1.00 54.43 C ATOM 1472 C GLY A 99 0.755 -11.402 15.836 1.00 72.12 C ATOM 1473 O GLY A 99 0.066 -11.794 14.895 1.00 51.40 O ATOM 0 H GLY A 99 -1.708 -11.281 17.682 1.00 54.35 H new ATOM 0 HA2 GLY A 99 0.423 -9.534 16.861 1.00 54.43 H new ATOM 0 HA3 GLY A 99 0.516 -10.923 17.925 1.00 54.43 H new ATOM 1477 N ILE A 100 2.051 -11.641 15.967 1.00 44.54 N ATOM 1478 CA ILE A 100 2.775 -12.410 14.969 1.00 22.42 C ATOM 1479 C ILE A 100 2.577 -13.903 15.241 1.00 51.04 C ATOM 1480 O ILE A 100 2.290 -14.672 14.324 1.00 43.50 O ATOM 1481 CB ILE A 100 4.244 -11.983 14.925 1.00 73.24 C ATOM 1482 CG1 ILE A 100 4.813 -12.123 13.511 1.00 33.02 C ATOM 1483 CG2 ILE A 100 5.071 -12.755 15.955 1.00 72.45 C ATOM 1484 CD1 ILE A 100 4.821 -13.587 13.066 1.00 5.20 C ATOM 0 H ILE A 100 2.619 -11.316 16.749 1.00 44.54 H new ATOM 0 HA ILE A 100 2.379 -12.211 13.973 1.00 22.42 H new ATOM 0 HB ILE A 100 4.301 -10.928 15.192 1.00 73.24 H new ATOM 0 HG12 ILE A 100 4.218 -11.531 12.815 1.00 33.02 H new ATOM 0 HG13 ILE A 100 5.827 -11.725 13.482 1.00 33.02 H new ATOM 0 HG21 ILE A 100 6.111 -12.432 15.902 1.00 72.45 H new ATOM 0 HG22 ILE A 100 4.681 -12.561 16.954 1.00 72.45 H new ATOM 0 HG23 ILE A 100 5.011 -13.823 15.743 1.00 72.45 H new ATOM 0 HD11 ILE A 100 5.230 -13.659 12.058 1.00 5.20 H new ATOM 0 HD12 ILE A 100 5.436 -14.172 13.750 1.00 5.20 H new ATOM 0 HD13 ILE A 100 3.802 -13.975 13.073 1.00 5.20 H new ATOM 1496 N ASP A 101 2.737 -14.269 16.504 1.00 43.51 N ATOM 1497 CA ASP A 101 2.579 -15.655 16.908 1.00 64.44 C ATOM 1498 C ASP A 101 1.193 -16.149 16.489 1.00 63.44 C ATOM 1499 O ASP A 101 1.004 -17.338 16.236 1.00 21.34 O ATOM 1500 CB ASP A 101 2.695 -15.804 18.426 1.00 42.21 C ATOM 1501 CG ASP A 101 2.214 -14.596 19.232 1.00 11.22 C ATOM 1502 OD1 ASP A 101 3.011 -13.904 19.884 1.00 74.50 O ATOM 1503 OD2 ASP A 101 0.945 -14.371 19.173 1.00 71.22 O ATOM 0 H ASP A 101 2.975 -13.629 17.262 1.00 43.51 H new ATOM 0 HA ASP A 101 3.365 -16.237 16.428 1.00 64.44 H new ATOM 0 HB2 ASP A 101 2.123 -16.679 18.735 1.00 42.21 H new ATOM 0 HB3 ASP A 101 3.737 -15.999 18.678 1.00 42.21 H new ATOM 1509 N GLU A 102 0.260 -15.211 16.427 1.00 34.43 N ATOM 1510 CA GLU A 102 -1.104 -15.536 16.043 1.00 24.42 C ATOM 1511 C GLU A 102 -1.281 -15.377 14.532 1.00 75.51 C ATOM 1512 O GLU A 102 -1.824 -16.261 13.871 1.00 74.41 O ATOM 1513 CB GLU A 102 -2.109 -14.673 16.807 1.00 12.14 C ATOM 1514 CG GLU A 102 -2.510 -15.336 18.127 1.00 41.21 C ATOM 1515 CD GLU A 102 -2.815 -14.286 19.197 1.00 11.13 C ATOM 1516 OE1 GLU A 102 -1.840 -13.685 19.697 1.00 43.21 O ATOM 1517 OE2 GLU A 102 -4.017 -14.108 19.492 1.00 61.34 O ATOM 0 H GLU A 102 0.421 -14.226 16.636 1.00 34.43 H new ATOM 0 HA GLU A 102 -1.297 -16.576 16.304 1.00 24.42 H new ATOM 0 HB2 GLU A 102 -1.675 -13.693 17.005 1.00 12.14 H new ATOM 0 HB3 GLU A 102 -2.995 -14.511 16.193 1.00 12.14 H new ATOM 0 HG2 GLU A 102 -3.386 -15.966 17.970 1.00 41.21 H new ATOM 0 HG3 GLU A 102 -1.706 -15.987 18.470 1.00 41.21 H new ATOM 1524 N PHE A 103 -0.814 -14.244 14.029 1.00 23.51 N ATOM 1525 CA PHE A 103 -0.914 -13.958 12.608 1.00 73.50 C ATOM 1526 C PHE A 103 -0.183 -15.019 11.782 1.00 11.21 C ATOM 1527 O PHE A 103 -0.514 -15.241 10.619 1.00 62.45 O ATOM 1528 CB PHE A 103 -0.249 -12.601 12.377 1.00 45.51 C ATOM 1529 CG PHE A 103 0.040 -12.291 10.906 1.00 32.14 C ATOM 1530 CD1 PHE A 103 1.312 -12.371 10.432 1.00 72.05 C ATOM 1531 CD2 PHE A 103 -0.976 -11.936 10.074 1.00 23.14 C ATOM 1532 CE1 PHE A 103 1.579 -12.084 9.067 1.00 44.21 C ATOM 1533 CE2 PHE A 103 -0.708 -11.649 8.710 1.00 50.13 C ATOM 1534 CZ PHE A 103 0.564 -11.729 8.235 1.00 51.22 C ATOM 0 H PHE A 103 -0.365 -13.513 14.580 1.00 23.51 H new ATOM 0 HA PHE A 103 -1.960 -13.955 12.302 1.00 73.50 H new ATOM 0 HB2 PHE A 103 -0.891 -11.819 12.783 1.00 45.51 H new ATOM 0 HB3 PHE A 103 0.686 -12.567 12.935 1.00 45.51 H new ATOM 0 HD1 PHE A 103 2.118 -12.653 11.093 1.00 72.05 H new ATOM 0 HD2 PHE A 103 -1.986 -11.873 10.451 1.00 23.14 H new ATOM 0 HE1 PHE A 103 2.589 -12.148 8.690 1.00 44.21 H new ATOM 0 HE2 PHE A 103 -1.514 -11.367 8.049 1.00 50.13 H new ATOM 0 HZ PHE A 103 0.768 -11.511 7.197 1.00 51.22 H new ATOM 1544 N ALA A 104 0.797 -15.645 12.417 1.00 43.25 N ATOM 1545 CA ALA A 104 1.578 -16.676 11.755 1.00 21.40 C ATOM 1546 C ALA A 104 0.886 -18.029 11.936 1.00 54.33 C ATOM 1547 O ALA A 104 1.265 -19.014 11.305 1.00 44.22 O ATOM 1548 CB ALA A 104 3.004 -16.673 12.310 1.00 12.42 C ATOM 0 H ALA A 104 1.068 -15.458 13.382 1.00 43.25 H new ATOM 0 HA ALA A 104 1.644 -16.479 10.685 1.00 21.40 H new ATOM 0 HB1 ALA A 104 3.589 -17.447 11.813 1.00 12.42 H new ATOM 0 HB2 ALA A 104 3.462 -15.700 12.131 1.00 12.42 H new ATOM 0 HB3 ALA A 104 2.978 -16.870 13.382 1.00 12.42 H new ATOM 1554 N ALA A 105 -0.118 -18.033 12.800 1.00 13.53 N ATOM 1555 CA ALA A 105 -0.867 -19.248 13.072 1.00 13.30 C ATOM 1556 C ALA A 105 -1.854 -19.499 11.930 1.00 32.33 C ATOM 1557 O ALA A 105 -1.862 -20.577 11.338 1.00 61.31 O ATOM 1558 CB ALA A 105 -1.564 -19.125 14.429 1.00 71.53 C ATOM 0 H ALA A 105 -0.431 -17.214 13.321 1.00 13.53 H new ATOM 0 HA ALA A 105 -0.199 -20.108 13.126 1.00 13.30 H new ATOM 0 HB1 ALA A 105 -2.126 -20.036 14.633 1.00 71.53 H new ATOM 0 HB2 ALA A 105 -0.818 -18.976 15.209 1.00 71.53 H new ATOM 0 HB3 ALA A 105 -2.246 -18.275 14.412 1.00 71.53 H new ATOM 1564 N MET A 106 -2.663 -18.486 11.656 1.00 61.43 N ATOM 1565 CA MET A 106 -3.652 -18.584 10.595 1.00 23.34 C ATOM 1566 C MET A 106 -3.008 -19.043 9.286 1.00 45.04 C ATOM 1567 O MET A 106 -3.698 -19.502 8.377 1.00 34.24 O ATOM 1568 CB MET A 106 -4.315 -17.221 10.388 1.00 31.35 C ATOM 1569 CG MET A 106 -3.270 -16.139 10.110 1.00 24.32 C ATOM 1570 SD MET A 106 -3.974 -14.523 10.389 1.00 34.32 S ATOM 1571 CE MET A 106 -5.652 -14.821 9.857 1.00 40.52 C ATOM 0 H MET A 106 -2.654 -17.594 12.150 1.00 61.43 H new ATOM 0 HA MET A 106 -4.400 -19.321 10.888 1.00 23.34 H new ATOM 0 HB2 MET A 106 -5.016 -17.277 9.555 1.00 31.35 H new ATOM 0 HB3 MET A 106 -4.892 -16.955 11.274 1.00 31.35 H new ATOM 0 HG2 MET A 106 -2.404 -16.284 10.756 1.00 24.32 H new ATOM 0 HG3 MET A 106 -2.917 -16.218 9.082 1.00 24.32 H new ATOM 0 HE1 MET A 106 -6.178 -13.871 9.762 1.00 40.52 H new ATOM 0 HE2 MET A 106 -5.643 -15.329 8.893 1.00 40.52 H new ATOM 0 HE3 MET A 106 -6.161 -15.445 10.591 1.00 40.52 H new ATOM 1581 N ILE A 107 -1.691 -18.902 9.230 1.00 73.53 N ATOM 1582 CA ILE A 107 -0.946 -19.297 8.046 1.00 12.41 C ATOM 1583 C ILE A 107 -0.170 -20.582 8.342 1.00 52.32 C ATOM 1584 O ILE A 107 -0.010 -21.430 7.466 1.00 74.14 O ATOM 1585 CB ILE A 107 -0.065 -18.144 7.559 1.00 31.43 C ATOM 1586 CG1 ILE A 107 0.426 -17.295 8.734 1.00 74.32 C ATOM 1587 CG2 ILE A 107 -0.793 -17.303 6.509 1.00 72.42 C ATOM 1588 CD1 ILE A 107 1.304 -16.141 8.247 1.00 62.33 C ATOM 0 H ILE A 107 -1.121 -18.520 9.985 1.00 73.53 H new ATOM 0 HA ILE A 107 -1.626 -19.518 7.223 1.00 12.41 H new ATOM 0 HB ILE A 107 0.816 -18.568 7.077 1.00 31.43 H new ATOM 0 HG12 ILE A 107 -0.428 -16.900 9.284 1.00 74.32 H new ATOM 0 HG13 ILE A 107 0.990 -17.919 9.427 1.00 74.32 H new ATOM 0 HG21 ILE A 107 -0.145 -16.491 6.180 1.00 72.42 H new ATOM 0 HG22 ILE A 107 -1.051 -17.930 5.655 1.00 72.42 H new ATOM 0 HG23 ILE A 107 -1.703 -16.888 6.942 1.00 72.42 H new ATOM 0 HD11 ILE A 107 1.640 -15.553 9.102 1.00 62.33 H new ATOM 0 HD12 ILE A 107 2.170 -16.540 7.719 1.00 62.33 H new ATOM 0 HD13 ILE A 107 0.729 -15.506 7.573 1.00 62.33 H new ATOM 1600 N LYS A 108 0.291 -20.685 9.579 1.00 5.23 N ATOM 1601 CA LYS A 108 1.047 -21.852 10.001 1.00 32.15 C ATOM 1602 C LYS A 108 0.104 -23.052 10.112 1.00 52.11 C ATOM 1603 O LYS A 108 0.553 -24.195 10.177 1.00 21.12 O ATOM 1604 CB LYS A 108 1.817 -21.555 11.290 1.00 41.24 C ATOM 1605 CG LYS A 108 2.481 -22.820 11.836 1.00 30.40 C ATOM 1606 CD LYS A 108 3.741 -22.478 12.633 1.00 1.04 C ATOM 1607 CE LYS A 108 4.386 -23.741 13.208 1.00 44.32 C ATOM 1608 NZ LYS A 108 5.457 -23.386 14.166 1.00 44.44 N ATOM 0 H LYS A 108 0.156 -19.980 10.303 1.00 5.23 H new ATOM 0 HA LYS A 108 1.802 -22.106 9.257 1.00 32.15 H new ATOM 0 HB2 LYS A 108 2.575 -20.796 11.098 1.00 41.24 H new ATOM 0 HB3 LYS A 108 1.138 -21.145 12.037 1.00 41.24 H new ATOM 0 HG2 LYS A 108 1.779 -23.358 12.473 1.00 30.40 H new ATOM 0 HG3 LYS A 108 2.737 -23.485 11.011 1.00 30.40 H new ATOM 0 HD2 LYS A 108 4.454 -21.962 11.990 1.00 1.04 H new ATOM 0 HD3 LYS A 108 3.489 -21.793 13.443 1.00 1.04 H new ATOM 0 HE2 LYS A 108 3.630 -24.348 13.707 1.00 44.32 H new ATOM 0 HE3 LYS A 108 4.798 -24.346 12.400 1.00 44.32 H new ATOM 0 HZ1 LYS A 108 5.884 -24.254 14.547 1.00 44.44 H new ATOM 0 HZ2 LYS A 108 6.186 -22.826 13.680 1.00 44.44 H new ATOM 0 HZ3 LYS A 108 5.054 -22.828 14.946 1.00 44.44 H new ATOM 1621 N GLY A 109 -1.186 -22.750 10.129 1.00 32.43 N ATOM 1622 CA GLY A 109 -2.196 -23.790 10.231 1.00 54.13 C ATOM 1623 C GLY A 109 -2.921 -23.721 11.576 1.00 13.43 C ATOM 1624 O GLY A 109 -2.295 -23.829 12.629 1.00 22.32 O ATOM 0 H GLY A 109 -1.555 -21.801 10.074 1.00 32.43 H new ATOM 0 HA2 GLY A 109 -2.916 -23.683 9.420 1.00 54.13 H new ATOM 0 HA3 GLY A 109 -1.729 -24.768 10.116 1.00 54.13 H new TER 1628 GLY A 109 HETATM 1629 CA CA A 201 0.775 -2.261 13.243 1.00 4.42 CA HETATM 1630 CA CA A 202 -3.480 -11.506 20.514 1.00 3.44 CA