USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 555 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 45 THR OG1 : rot -73:sc= 0.989 USER MOD Set 1.2: A 46 THR OG1 : rot 153:sc= 1.22 USER MOD Set 2.1: A 40 ASN : amide:sc= 1.89 K(o=2.8,f=0.61) USER MOD Set 2.2: A 43 SER OG : rot -160:sc= 0.943 USER MOD Single : A 11 GLN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -125:sc= -0.0176 (180deg=-0.883) USER MOD Single : A 15 THR OG1 : rot 69:sc= 1.23 USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0427) USER MOD Single : A 18 GLN : amide:sc= -0.0217 X(o=-0.022,f=-0.0017) USER MOD Single : A 22 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0391) USER MOD Single : A 34 MET CE :methyl 175:sc= -0.995 (180deg=-1.12) USER MOD Single : A 36 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.143) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0.737 K(o=0.74,f=-5.5!) USER MOD Single : A 48 SER OG : rot 77:sc= 0.855 USER MOD Single : A 54 ASN : amide:sc= 0.969 K(o=0.97,f=-4.1!) USER MOD Single : A 56 SER OG : rot 63:sc= 0.874 USER MOD Single : A 58 LYS NZ :NH3+ 176:sc= 0.562 (180deg=0.51) USER MOD Single : A 59 ASN : amide:sc= 0.0514 X(o=0.051,f=-0.0055) USER MOD Single : A 60 MET CE :methyl -176:sc= -1.15 (180deg=-1.29) USER MOD Single : A 61 CYS SG : rot -10:sc= 0.216 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 171:sc= -0.0074 (180deg=-0.131) USER MOD Single : A 69 LYS NZ :NH3+ 172:sc=-0.00246 (180deg=-0.0899) USER MOD Single : A 72 ASN : amide:sc= 1.19 K(o=1.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 6 3.870 5.820 -0.954 1.00 0.00 N ATOM 16 CA LEU A 6 4.727 6.215 0.160 1.00 0.00 C ATOM 17 C LEU A 6 5.253 5.013 0.942 1.00 0.00 C ATOM 18 O LEU A 6 6.432 4.983 1.279 1.00 0.00 O ATOM 19 CB LEU A 6 4.020 7.239 1.053 1.00 0.00 C ATOM 20 CG LEU A 6 4.122 8.639 0.421 1.00 0.00 C ATOM 21 CD1 LEU A 6 2.947 9.512 0.872 1.00 0.00 C ATOM 22 CD2 LEU A 6 5.442 9.327 0.801 1.00 0.00 C ATOM 0 HA LEU A 6 5.609 6.702 -0.256 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.973 6.963 1.181 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.472 7.244 2.045 1.00 0.00 H new ATOM 0 HG LEU A 6 4.093 8.516 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.032 10.499 0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.010 9.049 0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.962 9.610 1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.484 10.314 0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.500 9.431 1.885 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.280 8.726 0.449 1.00 0.00 H new ATOM 34 N GLU A 7 4.404 4.006 1.168 1.00 0.00 N ATOM 35 CA GLU A 7 4.795 2.746 1.788 1.00 0.00 C ATOM 36 C GLU A 7 6.026 2.136 1.105 1.00 0.00 C ATOM 37 O GLU A 7 6.902 1.587 1.770 1.00 0.00 O ATOM 38 CB GLU A 7 3.615 1.766 1.750 1.00 0.00 C ATOM 39 CG GLU A 7 2.426 2.272 2.577 1.00 0.00 C ATOM 40 CD GLU A 7 1.278 1.269 2.550 1.00 0.00 C ATOM 41 OE1 GLU A 7 1.278 0.379 3.428 1.00 0.00 O ATOM 42 OE2 GLU A 7 0.427 1.406 1.644 1.00 0.00 O ATOM 0 H GLU A 7 3.415 4.048 0.921 1.00 0.00 H new ATOM 0 HA GLU A 7 5.067 2.945 2.825 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.301 1.615 0.717 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.936 0.796 2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.741 2.443 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.086 3.230 2.184 1.00 0.00 H new ATOM 49 N GLU A 8 6.093 2.223 -0.225 1.00 0.00 N ATOM 50 CA GLU A 8 7.210 1.719 -1.002 1.00 0.00 C ATOM 51 C GLU A 8 8.361 2.724 -0.934 1.00 0.00 C ATOM 52 O GLU A 8 9.492 2.331 -0.674 1.00 0.00 O ATOM 53 CB GLU A 8 6.780 1.441 -2.451 1.00 0.00 C ATOM 54 CG GLU A 8 5.795 0.263 -2.575 1.00 0.00 C ATOM 55 CD GLU A 8 4.476 0.472 -1.831 1.00 0.00 C ATOM 56 OE1 GLU A 8 3.868 1.547 -2.030 1.00 0.00 O ATOM 57 OE2 GLU A 8 4.111 -0.436 -1.054 1.00 0.00 O ATOM 0 H GLU A 8 5.361 2.651 -0.792 1.00 0.00 H new ATOM 0 HA GLU A 8 7.552 0.772 -0.585 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.318 2.338 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.665 1.232 -3.052 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.582 0.091 -3.630 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.275 -0.639 -2.196 1.00 0.00 H new ATOM 64 N LEU A 9 8.084 4.012 -1.160 1.00 0.00 N ATOM 65 CA LEU A 9 9.095 5.071 -1.139 1.00 0.00 C ATOM 66 C LEU A 9 9.903 5.058 0.164 1.00 0.00 C ATOM 67 O LEU A 9 11.128 5.136 0.107 1.00 0.00 O ATOM 68 CB LEU A 9 8.446 6.450 -1.367 1.00 0.00 C ATOM 69 CG LEU A 9 7.738 6.601 -2.727 1.00 0.00 C ATOM 70 CD1 LEU A 9 6.924 7.899 -2.763 1.00 0.00 C ATOM 71 CD2 LEU A 9 8.732 6.599 -3.890 1.00 0.00 C ATOM 0 H LEU A 9 7.144 4.351 -1.364 1.00 0.00 H new ATOM 0 HA LEU A 9 9.790 4.877 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.723 6.634 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.215 7.218 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 9 7.075 5.743 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.430 7.992 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.174 7.880 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.589 8.750 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.192 6.708 -4.830 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.429 7.429 -3.774 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.284 5.659 -3.895 1.00 0.00 H new ATOM 83 N GLU A 10 9.255 4.962 1.329 1.00 0.00 N ATOM 84 CA GLU A 10 9.959 5.010 2.607 1.00 0.00 C ATOM 85 C GLU A 10 10.943 3.852 2.752 1.00 0.00 C ATOM 86 O GLU A 10 12.151 4.044 2.903 1.00 0.00 O ATOM 87 CB GLU A 10 8.969 5.099 3.779 1.00 0.00 C ATOM 88 CG GLU A 10 7.970 3.949 3.958 1.00 0.00 C ATOM 89 CD GLU A 10 6.825 4.356 4.882 1.00 0.00 C ATOM 90 OE1 GLU A 10 5.878 4.992 4.373 1.00 0.00 O ATOM 91 OE2 GLU A 10 6.927 4.029 6.084 1.00 0.00 O ATOM 0 H GLU A 10 8.244 4.851 1.410 1.00 0.00 H new ATOM 0 HA GLU A 10 10.557 5.921 2.629 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.546 5.188 4.699 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.401 6.023 3.668 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.571 3.655 2.987 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.482 3.079 4.369 1.00 0.00 H new ATOM 98 N GLN A 11 10.394 2.640 2.696 1.00 0.00 N ATOM 99 CA GLN A 11 11.154 1.399 2.709 1.00 0.00 C ATOM 100 C GLN A 11 12.296 1.479 1.697 1.00 0.00 C ATOM 101 O GLN A 11 13.449 1.239 2.044 1.00 0.00 O ATOM 102 CB GLN A 11 10.233 0.211 2.407 1.00 0.00 C ATOM 103 CG GLN A 11 9.268 -0.070 3.565 1.00 0.00 C ATOM 104 CD GLN A 11 8.391 -1.280 3.264 1.00 0.00 C ATOM 105 OE1 GLN A 11 8.641 -2.375 3.756 1.00 0.00 O ATOM 106 NE2 GLN A 11 7.357 -1.094 2.451 1.00 0.00 N ATOM 0 H GLN A 11 9.386 2.494 2.639 1.00 0.00 H new ATOM 0 HA GLN A 11 11.583 1.250 3.700 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.663 0.414 1.500 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.836 -0.676 2.213 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.834 -0.245 4.480 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.640 0.804 3.740 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.177 -0.170 2.058 1.00 0.00 H new ATOM 0 HE22 GLN A 11 6.743 -1.875 2.219 1.00 0.00 H new ATOM 115 N PHE A 12 11.973 1.836 0.454 1.00 0.00 N ATOM 116 CA PHE A 12 12.938 1.986 -0.621 1.00 0.00 C ATOM 117 C PHE A 12 14.056 2.949 -0.224 1.00 0.00 C ATOM 118 O PHE A 12 15.222 2.601 -0.357 1.00 0.00 O ATOM 119 CB PHE A 12 12.236 2.432 -1.908 1.00 0.00 C ATOM 120 CG PHE A 12 13.195 2.710 -3.047 1.00 0.00 C ATOM 121 CD1 PHE A 12 13.642 1.663 -3.873 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.754 3.995 -3.177 1.00 0.00 C ATOM 123 CE1 PHE A 12 14.641 1.903 -4.833 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.804 4.215 -4.090 1.00 0.00 C ATOM 125 CZ PHE A 12 15.231 3.174 -4.932 1.00 0.00 C ATOM 0 H PHE A 12 11.014 2.031 0.167 1.00 0.00 H new ATOM 0 HA PHE A 12 13.401 1.018 -0.811 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.531 1.660 -2.216 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.655 3.331 -1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.218 0.675 -3.770 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.379 4.811 -2.578 1.00 0.00 H new ATOM 0 HE1 PHE A 12 14.955 1.109 -5.495 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.280 5.183 -4.143 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.013 3.351 -5.655 1.00 0.00 H new ATOM 135 N ALA A 13 13.730 4.149 0.262 1.00 0.00 N ATOM 136 CA ALA A 13 14.725 5.138 0.663 1.00 0.00 C ATOM 137 C ALA A 13 15.678 4.553 1.714 1.00 0.00 C ATOM 138 O ALA A 13 16.899 4.572 1.548 1.00 0.00 O ATOM 139 CB ALA A 13 14.024 6.410 1.161 1.00 0.00 C ATOM 0 H ALA A 13 12.767 4.460 0.387 1.00 0.00 H new ATOM 0 HA ALA A 13 15.333 5.409 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.772 7.145 1.459 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.408 6.823 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.393 6.167 2.016 1.00 0.00 H new ATOM 145 N LYS A 14 15.125 3.995 2.794 1.00 0.00 N ATOM 146 CA LYS A 14 15.931 3.362 3.836 1.00 0.00 C ATOM 147 C LYS A 14 16.806 2.248 3.244 1.00 0.00 C ATOM 148 O LYS A 14 18.009 2.171 3.495 1.00 0.00 O ATOM 149 CB LYS A 14 15.009 2.826 4.937 1.00 0.00 C ATOM 150 CG LYS A 14 14.288 3.974 5.654 1.00 0.00 C ATOM 151 CD LYS A 14 13.518 3.524 6.906 1.00 0.00 C ATOM 152 CE LYS A 14 12.364 2.557 6.608 1.00 0.00 C ATOM 153 NZ LYS A 14 12.808 1.151 6.558 1.00 0.00 N ATOM 0 H LYS A 14 14.120 3.970 2.968 1.00 0.00 H new ATOM 0 HA LYS A 14 16.602 4.101 4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.276 2.145 4.504 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.592 2.251 5.657 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.019 4.731 5.939 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.593 4.447 4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.213 3.045 7.596 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.121 4.404 7.413 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.596 2.666 7.373 1.00 0.00 H new ATOM 0 HE3 LYS A 14 11.906 2.825 5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 12.528 0.731 5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.843 1.110 6.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 12.367 0.620 7.336 1.00 0.00 H new ATOM 167 N THR A 15 16.200 1.404 2.411 1.00 0.00 N ATOM 168 CA THR A 15 16.892 0.304 1.748 1.00 0.00 C ATOM 169 C THR A 15 18.018 0.842 0.865 1.00 0.00 C ATOM 170 O THR A 15 19.098 0.264 0.819 1.00 0.00 O ATOM 171 CB THR A 15 15.903 -0.566 0.961 1.00 0.00 C ATOM 172 OG1 THR A 15 14.905 -1.050 1.833 1.00 0.00 O ATOM 173 CG2 THR A 15 16.587 -1.778 0.322 1.00 0.00 C ATOM 0 H THR A 15 15.209 1.466 2.177 1.00 0.00 H new ATOM 0 HA THR A 15 17.346 -0.336 2.504 1.00 0.00 H new ATOM 0 HB THR A 15 15.480 0.059 0.175 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.341 -0.306 2.131 1.00 0.00 H new ATOM 0 HG21 THR A 15 15.850 -2.366 -0.225 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.362 -1.438 -0.365 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.037 -2.394 1.100 1.00 0.00 H new ATOM 181 N PHE A 16 17.779 1.956 0.174 1.00 0.00 N ATOM 182 CA PHE A 16 18.759 2.611 -0.669 1.00 0.00 C ATOM 183 C PHE A 16 19.977 2.985 0.174 1.00 0.00 C ATOM 184 O PHE A 16 21.105 2.652 -0.184 1.00 0.00 O ATOM 185 CB PHE A 16 18.121 3.810 -1.391 1.00 0.00 C ATOM 186 CG PHE A 16 19.097 4.532 -2.285 1.00 0.00 C ATOM 187 CD1 PHE A 16 19.333 4.028 -3.572 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.867 5.606 -1.795 1.00 0.00 C ATOM 189 CE1 PHE A 16 20.335 4.595 -4.367 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.899 6.146 -2.585 1.00 0.00 C ATOM 191 CZ PHE A 16 21.152 5.620 -3.861 1.00 0.00 C ATOM 0 H PHE A 16 16.877 2.433 0.190 1.00 0.00 H new ATOM 0 HA PHE A 16 19.105 1.936 -1.452 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.276 3.464 -1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 16 17.726 4.507 -0.652 1.00 0.00 H new ATOM 0 HD1 PHE A 16 18.743 3.205 -3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 16 19.666 6.014 -0.815 1.00 0.00 H new ATOM 0 HE1 PHE A 16 20.482 4.242 -5.377 1.00 0.00 H new ATOM 0 HE2 PHE A 16 21.496 6.964 -2.210 1.00 0.00 H new ATOM 0 HZ PHE A 16 21.972 6.002 -4.452 1.00 0.00 H new ATOM 201 N LYS A 17 19.750 3.625 1.324 1.00 0.00 N ATOM 202 CA LYS A 17 20.823 3.929 2.263 1.00 0.00 C ATOM 203 C LYS A 17 21.564 2.656 2.676 1.00 0.00 C ATOM 204 O LYS A 17 22.787 2.592 2.575 1.00 0.00 O ATOM 205 CB LYS A 17 20.250 4.676 3.470 1.00 0.00 C ATOM 206 CG LYS A 17 21.287 5.203 4.470 1.00 0.00 C ATOM 207 CD LYS A 17 22.223 6.248 3.847 1.00 0.00 C ATOM 208 CE LYS A 17 23.039 6.958 4.933 1.00 0.00 C ATOM 209 NZ LYS A 17 23.891 8.013 4.362 1.00 0.00 N ATOM 0 H LYS A 17 18.828 3.942 1.624 1.00 0.00 H new ATOM 0 HA LYS A 17 21.555 4.575 1.778 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.659 5.517 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.567 4.010 3.998 1.00 0.00 H new ATOM 0 HG2 LYS A 17 20.773 5.643 5.324 1.00 0.00 H new ATOM 0 HG3 LYS A 17 21.878 4.370 4.849 1.00 0.00 H new ATOM 0 HD2 LYS A 17 22.895 5.765 3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 17 21.639 6.979 3.287 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.365 7.393 5.671 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.660 6.231 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 24.504 8.405 5.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 24.479 7.612 3.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 23.293 8.769 3.972 1.00 0.00 H new ATOM 223 N GLN A 18 20.834 1.640 3.142 1.00 0.00 N ATOM 224 CA GLN A 18 21.424 0.375 3.575 1.00 0.00 C ATOM 225 C GLN A 18 22.331 -0.204 2.478 1.00 0.00 C ATOM 226 O GLN A 18 23.504 -0.497 2.716 1.00 0.00 O ATOM 227 CB GLN A 18 20.307 -0.607 3.957 1.00 0.00 C ATOM 228 CG GLN A 18 19.541 -0.150 5.211 1.00 0.00 C ATOM 229 CD GLN A 18 18.138 -0.747 5.282 1.00 0.00 C ATOM 230 OE1 GLN A 18 17.171 -0.052 5.574 1.00 0.00 O ATOM 231 NE2 GLN A 18 18.004 -2.041 5.007 1.00 0.00 N ATOM 0 H GLN A 18 19.818 1.673 3.229 1.00 0.00 H new ATOM 0 HA GLN A 18 22.047 0.549 4.452 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.611 -0.707 3.124 1.00 0.00 H new ATOM 0 HB3 GLN A 18 20.736 -1.593 4.134 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.101 -0.437 6.101 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.471 0.938 5.215 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.823 -2.599 4.767 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.082 -2.476 5.036 1.00 0.00 H new ATOM 240 N ARG A 19 21.791 -0.349 1.267 1.00 0.00 N ATOM 241 CA ARG A 19 22.524 -0.830 0.108 1.00 0.00 C ATOM 242 C ARG A 19 23.774 0.018 -0.114 1.00 0.00 C ATOM 243 O ARG A 19 24.876 -0.516 -0.202 1.00 0.00 O ATOM 244 CB ARG A 19 21.625 -0.801 -1.137 1.00 0.00 C ATOM 245 CG ARG A 19 20.527 -1.873 -1.113 1.00 0.00 C ATOM 246 CD ARG A 19 21.066 -3.256 -1.488 1.00 0.00 C ATOM 247 NE ARG A 19 19.982 -4.248 -1.515 1.00 0.00 N ATOM 248 CZ ARG A 19 20.130 -5.524 -1.895 1.00 0.00 C ATOM 249 NH1 ARG A 19 21.328 -5.981 -2.276 1.00 0.00 N ATOM 250 NH2 ARG A 19 19.072 -6.340 -1.891 1.00 0.00 N ATOM 0 H ARG A 19 20.815 -0.130 1.067 1.00 0.00 H new ATOM 0 HA ARG A 19 22.832 -1.860 0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.162 0.182 -1.221 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.241 -0.940 -2.026 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.083 -1.915 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 19 19.733 -1.594 -1.805 1.00 0.00 H new ATOM 0 HD2 ARG A 19 21.548 -3.211 -2.464 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.827 -3.562 -0.770 1.00 0.00 H new ATOM 0 HE ARG A 19 19.053 -3.944 -1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 19 22.135 -5.357 -2.278 1.00 0.00 H new ATOM 0 HH12 ARG A 19 21.435 -6.954 -2.564 1.00 0.00 H new ATOM 0 HH21 ARG A 19 18.159 -5.990 -1.600 1.00 0.00 H new ATOM 0 HH22 ARG A 19 19.177 -7.313 -2.179 1.00 0.00 H new ATOM 264 N ARG A 20 23.619 1.340 -0.213 1.00 0.00 N ATOM 265 CA ARG A 20 24.747 2.194 -0.546 1.00 0.00 C ATOM 266 C ARG A 20 25.827 2.123 0.537 1.00 0.00 C ATOM 267 O ARG A 20 27.009 2.108 0.206 1.00 0.00 O ATOM 268 CB ARG A 20 24.286 3.610 -0.914 1.00 0.00 C ATOM 269 CG ARG A 20 24.377 4.639 0.215 1.00 0.00 C ATOM 270 CD ARG A 20 23.534 5.842 -0.206 1.00 0.00 C ATOM 271 NE ARG A 20 23.621 6.963 0.738 1.00 0.00 N ATOM 272 CZ ARG A 20 24.479 7.987 0.631 1.00 0.00 C ATOM 273 NH1 ARG A 20 25.511 7.938 -0.216 1.00 0.00 N ATOM 274 NH2 ARG A 20 24.296 9.083 1.372 1.00 0.00 N ATOM 0 H ARG A 20 22.736 1.831 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 20 25.228 1.819 -1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 20 24.884 3.963 -1.754 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.252 3.561 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.008 4.218 1.150 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.412 4.934 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 20 23.857 6.178 -1.191 1.00 0.00 H new ATOM 0 HD3 ARG A 20 22.493 5.534 -0.300 1.00 0.00 H new ATOM 0 HE ARG A 20 22.982 6.962 1.533 1.00 0.00 H new ATOM 0 HH11 ARG A 20 25.656 7.111 -0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 20 26.153 8.727 -0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 20 23.506 9.138 2.015 1.00 0.00 H new ATOM 0 HH22 ARG A 20 24.946 9.865 1.295 1.00 0.00 H new ATOM 288 N ILE A 21 25.445 2.020 1.816 1.00 0.00 N ATOM 289 CA ILE A 21 26.395 1.748 2.891 1.00 0.00 C ATOM 290 C ILE A 21 27.165 0.467 2.564 1.00 0.00 C ATOM 291 O ILE A 21 28.392 0.499 2.503 1.00 0.00 O ATOM 292 CB ILE A 21 25.698 1.681 4.267 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.239 3.086 4.698 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.642 1.097 5.334 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.253 3.040 5.870 1.00 0.00 C ATOM 0 H ILE A 21 24.479 2.122 2.128 1.00 0.00 H new ATOM 0 HA ILE A 21 27.105 2.572 2.961 1.00 0.00 H new ATOM 0 HB ILE A 21 24.830 1.028 4.175 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.109 3.679 4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 21 24.771 3.589 3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.127 1.060 6.294 1.00 0.00 H new ATOM 0 HG22 ILE A 21 26.941 0.090 5.044 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.527 1.727 5.421 1.00 0.00 H new ATOM 0 HD11 ILE A 21 23.958 4.055 6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.370 2.470 5.581 1.00 0.00 H new ATOM 0 HD13 ILE A 21 24.728 2.562 6.727 1.00 0.00 H new ATOM 307 N LYS A 22 26.464 -0.649 2.334 1.00 0.00 N ATOM 308 CA LYS A 22 27.121 -1.919 2.026 1.00 0.00 C ATOM 309 C LYS A 22 28.068 -1.791 0.824 1.00 0.00 C ATOM 310 O LYS A 22 29.170 -2.333 0.845 1.00 0.00 O ATOM 311 CB LYS A 22 26.086 -3.031 1.802 1.00 0.00 C ATOM 312 CG LYS A 22 25.252 -3.360 3.051 1.00 0.00 C ATOM 313 CD LYS A 22 26.083 -4.041 4.150 1.00 0.00 C ATOM 314 CE LYS A 22 25.193 -4.533 5.298 1.00 0.00 C ATOM 315 NZ LYS A 22 24.492 -3.423 5.967 1.00 0.00 N ATOM 0 H LYS A 22 25.445 -0.696 2.356 1.00 0.00 H new ATOM 0 HA LYS A 22 27.729 -2.192 2.888 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.415 -2.734 0.996 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.601 -3.933 1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 22 24.816 -2.442 3.445 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.424 -4.011 2.770 1.00 0.00 H new ATOM 0 HD2 LYS A 22 26.631 -4.882 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.823 -3.340 4.536 1.00 0.00 H new ATOM 0 HE2 LYS A 22 24.462 -5.243 4.911 1.00 0.00 H new ATOM 0 HE3 LYS A 22 25.803 -5.068 6.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 23.969 -3.788 6.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 25.185 -2.716 6.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 23.827 -2.981 5.301 1.00 0.00 H new ATOM 329 N LEU A 23 27.652 -1.066 -0.217 1.00 0.00 N ATOM 330 CA LEU A 23 28.475 -0.833 -1.401 1.00 0.00 C ATOM 331 C LEU A 23 29.622 0.157 -1.135 1.00 0.00 C ATOM 332 O LEU A 23 30.531 0.272 -1.953 1.00 0.00 O ATOM 333 CB LEU A 23 27.596 -0.333 -2.558 1.00 0.00 C ATOM 334 CG LEU A 23 26.511 -1.333 -3.002 1.00 0.00 C ATOM 335 CD1 LEU A 23 25.528 -0.668 -3.972 1.00 0.00 C ATOM 336 CD2 LEU A 23 27.124 -2.568 -3.674 1.00 0.00 C ATOM 0 H LEU A 23 26.734 -0.624 -0.261 1.00 0.00 H new ATOM 0 HA LEU A 23 28.933 -1.784 -1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.116 0.599 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.234 -0.103 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 23 25.981 -1.651 -2.104 1.00 0.00 H new ATOM 0 HD11 LEU A 23 24.770 -1.390 -4.274 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.048 0.178 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.066 -0.318 -4.853 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.329 -3.251 -3.974 1.00 0.00 H new ATOM 0 HD22 LEU A 23 27.689 -2.261 -4.554 1.00 0.00 H new ATOM 0 HD23 LEU A 23 27.790 -3.071 -2.973 1.00 0.00 H new ATOM 348 N GLY A 24 29.585 0.904 -0.027 1.00 0.00 N ATOM 349 CA GLY A 24 30.511 2.000 0.227 1.00 0.00 C ATOM 350 C GLY A 24 30.230 3.193 -0.693 1.00 0.00 C ATOM 351 O GLY A 24 31.081 4.060 -0.888 1.00 0.00 O ATOM 0 H GLY A 24 28.906 0.760 0.720 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.429 2.314 1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.534 1.656 0.077 1.00 0.00 H new ATOM 355 N PHE A 25 29.018 3.269 -1.246 1.00 0.00 N ATOM 356 CA PHE A 25 28.616 4.290 -2.196 1.00 0.00 C ATOM 357 C PHE A 25 28.123 5.514 -1.439 1.00 0.00 C ATOM 358 O PHE A 25 26.930 5.800 -1.351 1.00 0.00 O ATOM 359 CB PHE A 25 27.655 3.695 -3.232 1.00 0.00 C ATOM 360 CG PHE A 25 28.280 2.689 -4.199 1.00 0.00 C ATOM 361 CD1 PHE A 25 29.665 2.402 -4.188 1.00 0.00 C ATOM 362 CD2 PHE A 25 27.466 2.050 -5.155 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.215 1.507 -5.120 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.022 1.181 -6.109 1.00 0.00 C ATOM 365 CZ PHE A 25 29.398 0.904 -6.089 1.00 0.00 C ATOM 0 H PHE A 25 28.275 2.602 -1.036 1.00 0.00 H new ATOM 0 HA PHE A 25 29.457 4.648 -2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 25 26.835 3.207 -2.705 1.00 0.00 H new ATOM 0 HB3 PHE A 25 27.221 4.510 -3.811 1.00 0.00 H new ATOM 0 HD1 PHE A 25 30.304 2.875 -3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 25 26.401 2.230 -5.155 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.271 1.282 -5.091 1.00 0.00 H new ATOM 0 HE2 PHE A 25 27.391 0.726 -6.858 1.00 0.00 H new ATOM 0 HZ PHE A 25 29.826 0.230 -6.816 1.00 0.00 H new ATOM 413 N ASP A 29 30.336 9.389 -3.889 1.00 0.00 N ATOM 414 CA ASP A 29 30.166 8.417 -4.965 1.00 0.00 C ATOM 415 C ASP A 29 28.831 8.614 -5.685 1.00 0.00 C ATOM 416 O ASP A 29 28.798 8.818 -6.897 1.00 0.00 O ATOM 417 CB ASP A 29 30.272 6.998 -4.398 1.00 0.00 C ATOM 418 CG ASP A 29 29.985 5.949 -5.469 1.00 0.00 C ATOM 419 OD1 ASP A 29 28.790 5.612 -5.620 1.00 0.00 O ATOM 420 OD2 ASP A 29 30.958 5.521 -6.122 1.00 0.00 O ATOM 0 HA ASP A 29 30.958 8.569 -5.698 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.271 6.841 -3.991 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.569 6.880 -3.573 1.00 0.00 H new ATOM 425 N VAL A 30 27.735 8.555 -4.924 1.00 0.00 N ATOM 426 CA VAL A 30 26.394 8.680 -5.471 1.00 0.00 C ATOM 427 C VAL A 30 26.266 10.016 -6.194 1.00 0.00 C ATOM 428 O VAL A 30 25.856 10.038 -7.348 1.00 0.00 O ATOM 429 CB VAL A 30 25.338 8.494 -4.367 1.00 0.00 C ATOM 430 CG1 VAL A 30 23.912 8.722 -4.883 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.389 7.070 -3.813 1.00 0.00 C ATOM 0 H VAL A 30 27.759 8.419 -3.913 1.00 0.00 H new ATOM 0 HA VAL A 30 26.214 7.891 -6.201 1.00 0.00 H new ATOM 0 HB VAL A 30 25.572 9.230 -3.598 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.203 8.579 -4.068 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.823 9.738 -5.268 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.696 8.011 -5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.636 6.956 -3.033 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.191 6.360 -4.616 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.377 6.878 -3.394 1.00 0.00 H new ATOM 441 N GLY A 31 26.650 11.115 -5.540 1.00 0.00 N ATOM 442 CA GLY A 31 26.670 12.438 -6.149 1.00 0.00 C ATOM 443 C GLY A 31 27.337 12.415 -7.524 1.00 0.00 C ATOM 444 O GLY A 31 26.738 12.842 -8.506 1.00 0.00 O ATOM 0 H GLY A 31 26.957 11.107 -4.567 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.650 12.810 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.202 13.131 -5.497 1.00 0.00 H new ATOM 448 N LEU A 32 28.562 11.891 -7.597 1.00 0.00 N ATOM 449 CA LEU A 32 29.370 11.898 -8.810 1.00 0.00 C ATOM 450 C LEU A 32 28.727 11.046 -9.901 1.00 0.00 C ATOM 451 O LEU A 32 28.532 11.490 -11.033 1.00 0.00 O ATOM 452 CB LEU A 32 30.769 11.376 -8.463 1.00 0.00 C ATOM 453 CG LEU A 32 31.819 11.614 -9.559 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.160 13.104 -9.699 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.093 10.840 -9.206 1.00 0.00 C ATOM 0 H LEU A 32 29.023 11.445 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 32 29.441 12.915 -9.197 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.105 11.854 -7.543 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.706 10.307 -8.262 1.00 0.00 H new ATOM 0 HG LEU A 32 31.407 11.269 -10.507 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.906 13.234 -10.483 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.259 13.661 -9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.557 13.477 -8.755 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.844 11.003 -9.979 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.477 11.189 -8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.866 9.776 -9.140 1.00 0.00 H new ATOM 467 N ALA A 33 28.415 9.801 -9.553 1.00 0.00 N ATOM 468 CA ALA A 33 27.813 8.849 -10.473 1.00 0.00 C ATOM 469 C ALA A 33 26.482 9.388 -11.006 1.00 0.00 C ATOM 470 O ALA A 33 26.241 9.393 -12.212 1.00 0.00 O ATOM 471 CB ALA A 33 27.651 7.511 -9.754 1.00 0.00 C ATOM 0 H ALA A 33 28.575 9.425 -8.618 1.00 0.00 H new ATOM 0 HA ALA A 33 28.457 8.699 -11.340 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.200 6.786 -10.432 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.628 7.150 -9.433 1.00 0.00 H new ATOM 0 HB3 ALA A 33 27.009 7.641 -8.883 1.00 0.00 H new ATOM 477 N MET A 34 25.625 9.885 -10.112 1.00 0.00 N ATOM 478 CA MET A 34 24.395 10.558 -10.497 1.00 0.00 C ATOM 479 C MET A 34 24.715 11.764 -11.371 1.00 0.00 C ATOM 480 O MET A 34 24.019 12.002 -12.346 1.00 0.00 O ATOM 481 CB MET A 34 23.606 11.007 -9.265 1.00 0.00 C ATOM 482 CG MET A 34 23.131 9.834 -8.400 1.00 0.00 C ATOM 483 SD MET A 34 21.402 9.353 -8.571 1.00 0.00 S ATOM 484 CE MET A 34 21.255 9.190 -10.355 1.00 0.00 C ATOM 0 H MET A 34 25.769 9.830 -9.104 1.00 0.00 H new ATOM 0 HA MET A 34 23.783 9.853 -11.059 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.229 11.668 -8.662 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.742 11.589 -9.586 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.750 8.967 -8.632 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.313 10.086 -7.355 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.264 8.811 -10.605 1.00 0.00 H new ATOM 0 HE2 MET A 34 21.400 10.164 -10.822 1.00 0.00 H new ATOM 0 HE3 MET A 34 22.012 8.496 -10.721 1.00 0.00 H new ATOM 494 N GLY A 35 25.764 12.508 -11.032 1.00 0.00 N ATOM 495 CA GLY A 35 26.346 13.561 -11.851 1.00 0.00 C ATOM 496 C GLY A 35 26.464 13.124 -13.304 1.00 0.00 C ATOM 497 O GLY A 35 25.926 13.778 -14.194 1.00 0.00 O ATOM 0 H GLY A 35 26.250 12.387 -10.143 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.730 14.458 -11.787 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.331 13.823 -11.466 1.00 0.00 H new ATOM 501 N LYS A 36 27.157 12.010 -13.535 1.00 0.00 N ATOM 502 CA LYS A 36 27.295 11.455 -14.876 1.00 0.00 C ATOM 503 C LYS A 36 25.935 11.057 -15.470 1.00 0.00 C ATOM 504 O LYS A 36 25.625 11.425 -16.600 1.00 0.00 O ATOM 505 CB LYS A 36 28.269 10.265 -14.871 1.00 0.00 C ATOM 506 CG LYS A 36 29.736 10.681 -15.059 1.00 0.00 C ATOM 507 CD LYS A 36 30.269 11.570 -13.929 1.00 0.00 C ATOM 508 CE LYS A 36 31.743 11.902 -14.175 1.00 0.00 C ATOM 509 NZ LYS A 36 32.270 12.799 -13.132 1.00 0.00 N ATOM 0 H LYS A 36 27.632 11.475 -12.808 1.00 0.00 H new ATOM 0 HA LYS A 36 27.709 12.234 -15.517 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.169 9.726 -13.929 1.00 0.00 H new ATOM 0 HB3 LYS A 36 27.990 9.573 -15.665 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.353 9.785 -15.128 1.00 0.00 H new ATOM 0 HG3 LYS A 36 29.837 11.211 -16.006 1.00 0.00 H new ATOM 0 HD2 LYS A 36 29.685 12.489 -13.872 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.157 11.061 -12.971 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.327 10.982 -14.196 1.00 0.00 H new ATOM 0 HE3 LYS A 36 31.854 12.372 -15.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 32.948 13.464 -13.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 31.486 13.330 -12.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.749 12.237 -12.400 1.00 0.00 H new ATOM 523 N LEU A 37 25.140 10.270 -14.741 1.00 0.00 N ATOM 524 CA LEU A 37 23.943 9.640 -15.302 1.00 0.00 C ATOM 525 C LEU A 37 22.735 10.582 -15.461 1.00 0.00 C ATOM 526 O LEU A 37 21.890 10.337 -16.320 1.00 0.00 O ATOM 527 CB LEU A 37 23.573 8.404 -14.470 1.00 0.00 C ATOM 528 CG LEU A 37 24.647 7.303 -14.441 1.00 0.00 C ATOM 529 CD1 LEU A 37 24.137 6.139 -13.586 1.00 0.00 C ATOM 530 CD2 LEU A 37 24.999 6.774 -15.836 1.00 0.00 C ATOM 0 H LEU A 37 25.305 10.054 -13.758 1.00 0.00 H new ATOM 0 HA LEU A 37 24.201 9.347 -16.320 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.368 8.720 -13.447 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.649 7.981 -14.864 1.00 0.00 H new ATOM 0 HG LEU A 37 25.552 7.743 -14.022 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.890 5.351 -13.558 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.941 6.490 -12.573 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.217 5.746 -14.018 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.762 6.000 -15.750 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.107 6.354 -16.302 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.379 7.591 -16.450 1.00 0.00 H new ATOM 542 N TYR A 38 22.610 11.610 -14.619 1.00 0.00 N ATOM 543 CA TYR A 38 21.454 12.504 -14.535 1.00 0.00 C ATOM 544 C TYR A 38 21.903 13.938 -14.235 1.00 0.00 C ATOM 545 O TYR A 38 21.650 14.852 -15.017 1.00 0.00 O ATOM 546 CB TYR A 38 20.489 12.043 -13.424 1.00 0.00 C ATOM 547 CG TYR A 38 19.720 10.759 -13.682 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.336 9.520 -13.438 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.342 10.802 -13.974 1.00 0.00 C ATOM 550 CE1 TYR A 38 19.608 8.325 -13.571 1.00 0.00 C ATOM 551 CE2 TYR A 38 17.595 9.611 -14.029 1.00 0.00 C ATOM 552 CZ TYR A 38 18.241 8.371 -13.889 1.00 0.00 C ATOM 553 OH TYR A 38 17.531 7.214 -13.995 1.00 0.00 O ATOM 0 H TYR A 38 23.341 11.852 -13.950 1.00 0.00 H new ATOM 0 HA TYR A 38 20.942 12.475 -15.497 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.062 11.918 -12.505 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.769 12.841 -13.245 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.375 9.486 -13.146 1.00 0.00 H new ATOM 0 HD2 TYR A 38 17.859 11.751 -14.156 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.099 7.374 -13.429 1.00 0.00 H new ATOM 0 HE2 TYR A 38 16.526 9.650 -14.179 1.00 0.00 H new ATOM 0 HH TYR A 38 16.600 7.421 -14.219 1.00 0.00 H new ATOM 563 N GLY A 39 22.514 14.143 -13.066 1.00 0.00 N ATOM 564 CA GLY A 39 22.884 15.440 -12.530 1.00 0.00 C ATOM 565 C GLY A 39 23.309 15.274 -11.069 1.00 0.00 C ATOM 566 O GLY A 39 22.788 14.411 -10.360 1.00 0.00 O ATOM 0 H GLY A 39 22.772 13.374 -12.448 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.699 15.869 -13.113 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.043 16.130 -12.601 1.00 0.00 H new ATOM 570 N ASN A 40 24.282 16.073 -10.618 1.00 0.00 N ATOM 571 CA ASN A 40 24.893 15.915 -9.300 1.00 0.00 C ATOM 572 C ASN A 40 23.981 16.553 -8.256 1.00 0.00 C ATOM 573 O ASN A 40 24.295 17.603 -7.700 1.00 0.00 O ATOM 574 CB ASN A 40 26.319 16.497 -9.287 1.00 0.00 C ATOM 575 CG ASN A 40 27.086 16.157 -8.003 1.00 0.00 C ATOM 576 OD1 ASN A 40 28.051 15.401 -8.027 1.00 0.00 O ATOM 577 ND2 ASN A 40 26.680 16.719 -6.869 1.00 0.00 N ATOM 0 H ASN A 40 24.666 16.847 -11.159 1.00 0.00 H new ATOM 0 HA ASN A 40 24.998 14.858 -9.055 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.870 16.116 -10.146 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.266 17.580 -9.398 1.00 0.00 H new ATOM 0 HD21 ASN A 40 27.174 16.524 -5.998 1.00 0.00 H new ATOM 0 HD22 ASN A 40 25.875 17.345 -6.870 1.00 0.00 H new ATOM 584 N ASP A 41 22.840 15.915 -7.999 1.00 0.00 N ATOM 585 CA ASP A 41 21.868 16.366 -7.008 1.00 0.00 C ATOM 586 C ASP A 41 21.860 15.469 -5.766 1.00 0.00 C ATOM 587 O ASP A 41 20.896 15.484 -5.006 1.00 0.00 O ATOM 588 CB ASP A 41 20.492 16.504 -7.683 1.00 0.00 C ATOM 589 CG ASP A 41 19.408 17.048 -6.754 1.00 0.00 C ATOM 590 OD1 ASP A 41 19.671 18.093 -6.120 1.00 0.00 O ATOM 591 OD2 ASP A 41 18.331 16.414 -6.703 1.00 0.00 O ATOM 0 H ASP A 41 22.563 15.060 -8.480 1.00 0.00 H new ATOM 0 HA ASP A 41 22.153 17.349 -6.633 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.584 17.164 -8.546 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.181 15.529 -8.059 1.00 0.00 H new ATOM 596 N PHE A 42 22.933 14.700 -5.533 1.00 0.00 N ATOM 597 CA PHE A 42 22.921 13.645 -4.519 1.00 0.00 C ATOM 598 C PHE A 42 24.254 13.503 -3.791 1.00 0.00 C ATOM 599 O PHE A 42 24.617 12.405 -3.366 1.00 0.00 O ATOM 600 CB PHE A 42 22.512 12.321 -5.173 1.00 0.00 C ATOM 601 CG PHE A 42 21.284 12.427 -6.057 1.00 0.00 C ATOM 602 CD1 PHE A 42 20.004 12.468 -5.477 1.00 0.00 C ATOM 603 CD2 PHE A 42 21.434 12.777 -7.413 1.00 0.00 C ATOM 604 CE1 PHE A 42 18.887 12.783 -6.268 1.00 0.00 C ATOM 605 CE2 PHE A 42 20.305 12.925 -8.235 1.00 0.00 C ATOM 606 CZ PHE A 42 19.025 12.937 -7.658 1.00 0.00 C ATOM 0 H PHE A 42 23.817 14.791 -6.034 1.00 0.00 H new ATOM 0 HA PHE A 42 22.192 13.925 -3.758 1.00 0.00 H new ATOM 0 HB2 PHE A 42 23.345 11.948 -5.768 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.323 11.584 -4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.880 12.258 -4.425 1.00 0.00 H new ATOM 0 HD2 PHE A 42 22.421 12.932 -7.822 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.919 12.907 -5.806 1.00 0.00 H new ATOM 0 HE2 PHE A 42 20.421 13.029 -9.304 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.151 13.064 -8.279 1.00 0.00 H new ATOM 616 N SER A 43 24.975 14.609 -3.600 1.00 0.00 N ATOM 617 CA SER A 43 26.140 14.626 -2.731 1.00 0.00 C ATOM 618 C SER A 43 25.674 14.541 -1.275 1.00 0.00 C ATOM 619 O SER A 43 25.683 15.547 -0.565 1.00 0.00 O ATOM 620 CB SER A 43 26.973 15.884 -2.997 1.00 0.00 C ATOM 621 OG SER A 43 27.449 15.860 -4.330 1.00 0.00 O ATOM 0 H SER A 43 24.767 15.505 -4.040 1.00 0.00 H new ATOM 0 HA SER A 43 26.780 13.768 -2.935 1.00 0.00 H new ATOM 0 HB2 SER A 43 26.368 16.776 -2.831 1.00 0.00 H new ATOM 0 HB3 SER A 43 27.810 15.933 -2.301 1.00 0.00 H new ATOM 0 HG SER A 43 28.215 16.465 -4.415 1.00 0.00 H new ATOM 627 N GLN A 44 25.253 13.340 -0.856 1.00 0.00 N ATOM 628 CA GLN A 44 24.904 12.943 0.507 1.00 0.00 C ATOM 629 C GLN A 44 23.634 13.629 1.017 1.00 0.00 C ATOM 630 O GLN A 44 22.655 12.954 1.325 1.00 0.00 O ATOM 631 CB GLN A 44 26.093 13.147 1.462 1.00 0.00 C ATOM 632 CG GLN A 44 27.371 12.450 0.973 1.00 0.00 C ATOM 633 CD GLN A 44 27.251 10.932 0.996 1.00 0.00 C ATOM 634 OE1 GLN A 44 26.998 10.290 -0.020 1.00 0.00 O ATOM 635 NE2 GLN A 44 27.421 10.331 2.170 1.00 0.00 N ATOM 0 H GLN A 44 25.141 12.567 -1.512 1.00 0.00 H new ATOM 0 HA GLN A 44 24.677 11.877 0.480 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.286 14.214 1.573 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.831 12.766 2.449 1.00 0.00 H new ATOM 0 HG2 GLN A 44 27.595 12.778 -0.042 1.00 0.00 H new ATOM 0 HG3 GLN A 44 28.210 12.755 1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 44 27.630 10.885 3.001 1.00 0.00 H new ATOM 0 HE22 GLN A 44 27.342 9.316 2.240 1.00 0.00 H new ATOM 644 N THR A 45 23.664 14.957 1.114 1.00 0.00 N ATOM 645 CA THR A 45 22.577 15.862 1.463 1.00 0.00 C ATOM 646 C THR A 45 21.198 15.340 1.036 1.00 0.00 C ATOM 647 O THR A 45 20.433 14.844 1.862 1.00 0.00 O ATOM 648 CB THR A 45 22.880 17.223 0.812 1.00 0.00 C ATOM 649 OG1 THR A 45 23.255 17.024 -0.541 1.00 0.00 O ATOM 650 CG2 THR A 45 24.015 17.954 1.536 1.00 0.00 C ATOM 0 H THR A 45 24.527 15.469 0.934 1.00 0.00 H new ATOM 0 HA THR A 45 22.525 15.951 2.548 1.00 0.00 H new ATOM 0 HB THR A 45 21.979 17.833 0.877 1.00 0.00 H new ATOM 0 HG1 THR A 45 24.158 16.646 -0.578 1.00 0.00 H new ATOM 0 HG21 THR A 45 24.201 18.911 1.048 1.00 0.00 H new ATOM 0 HG22 THR A 45 23.733 18.125 2.575 1.00 0.00 H new ATOM 0 HG23 THR A 45 24.920 17.347 1.501 1.00 0.00 H new ATOM 658 N THR A 46 20.871 15.460 -0.251 1.00 0.00 N ATOM 659 CA THR A 46 19.558 15.127 -0.788 1.00 0.00 C ATOM 660 C THR A 46 19.154 13.689 -0.459 1.00 0.00 C ATOM 661 O THR A 46 17.995 13.413 -0.169 1.00 0.00 O ATOM 662 CB THR A 46 19.581 15.353 -2.303 1.00 0.00 C ATOM 663 OG1 THR A 46 20.347 16.507 -2.580 1.00 0.00 O ATOM 664 CG2 THR A 46 18.173 15.524 -2.880 1.00 0.00 C ATOM 0 H THR A 46 21.524 15.797 -0.958 1.00 0.00 H new ATOM 0 HA THR A 46 18.812 15.772 -0.324 1.00 0.00 H new ATOM 0 HB THR A 46 20.023 14.473 -2.771 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.726 16.439 -3.481 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.238 15.682 -3.957 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.586 14.628 -2.679 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.691 16.385 -2.416 1.00 0.00 H new ATOM 672 N ILE A 47 20.111 12.762 -0.499 1.00 0.00 N ATOM 673 CA ILE A 47 19.867 11.362 -0.189 1.00 0.00 C ATOM 674 C ILE A 47 19.511 11.215 1.295 1.00 0.00 C ATOM 675 O ILE A 47 18.530 10.565 1.649 1.00 0.00 O ATOM 676 CB ILE A 47 21.087 10.540 -0.648 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.203 10.518 -2.178 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.090 9.123 -0.070 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.058 9.826 -2.921 1.00 0.00 C ATOM 0 H ILE A 47 21.079 12.966 -0.749 1.00 0.00 H new ATOM 0 HA ILE A 47 19.007 10.968 -0.730 1.00 0.00 H new ATOM 0 HB ILE A 47 21.969 11.042 -0.251 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.273 11.546 -2.533 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.137 10.024 -2.446 1.00 0.00 H new ATOM 0 HG21 ILE A 47 21.970 8.587 -0.425 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.111 9.174 1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.191 8.597 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.242 9.869 -3.994 1.00 0.00 H new ATOM 0 HD12 ILE A 47 19.996 8.785 -2.605 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.119 10.331 -2.694 1.00 0.00 H new ATOM 691 N SER A 48 20.244 11.887 2.178 1.00 0.00 N ATOM 692 CA SER A 48 19.892 11.938 3.589 1.00 0.00 C ATOM 693 C SER A 48 18.477 12.511 3.747 1.00 0.00 C ATOM 694 O SER A 48 17.664 11.981 4.500 1.00 0.00 O ATOM 695 CB SER A 48 20.939 12.753 4.357 1.00 0.00 C ATOM 696 OG SER A 48 22.241 12.301 4.027 1.00 0.00 O ATOM 0 H SER A 48 21.089 12.405 1.937 1.00 0.00 H new ATOM 0 HA SER A 48 19.889 10.933 4.011 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.839 13.811 4.113 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.772 12.656 5.430 1.00 0.00 H new ATOM 0 HG SER A 48 22.492 12.644 3.144 1.00 0.00 H new ATOM 702 N ARG A 49 18.175 13.578 3.004 1.00 0.00 N ATOM 703 CA ARG A 49 16.876 14.241 3.012 1.00 0.00 C ATOM 704 C ARG A 49 15.759 13.323 2.480 1.00 0.00 C ATOM 705 O ARG A 49 14.617 13.389 2.946 1.00 0.00 O ATOM 706 CB ARG A 49 17.006 15.565 2.244 1.00 0.00 C ATOM 707 CG ARG A 49 15.869 16.544 2.550 1.00 0.00 C ATOM 708 CD ARG A 49 16.291 17.988 2.263 1.00 0.00 C ATOM 709 NE ARG A 49 16.604 18.188 0.842 1.00 0.00 N ATOM 710 CZ ARG A 49 15.736 18.602 -0.092 1.00 0.00 C ATOM 711 NH1 ARG A 49 14.443 18.800 0.198 1.00 0.00 N ATOM 712 NH2 ARG A 49 16.177 18.821 -1.336 1.00 0.00 N ATOM 0 H ARG A 49 18.843 14.012 2.367 1.00 0.00 H new ATOM 0 HA ARG A 49 16.575 14.468 4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.959 16.032 2.494 1.00 0.00 H new ATOM 0 HB3 ARG A 49 17.023 15.359 1.174 1.00 0.00 H new ATOM 0 HG2 ARG A 49 14.996 16.291 1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 49 15.575 16.449 3.595 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.491 18.667 2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 49 17.163 18.240 2.867 1.00 0.00 H new ATOM 0 HE ARG A 49 17.560 17.996 0.541 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.102 18.635 1.145 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.800 19.115 -0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 49 17.161 18.673 -1.562 1.00 0.00 H new ATOM 0 HH22 ARG A 49 15.530 19.136 -2.058 1.00 0.00 H new ATOM 726 N PHE A 50 16.091 12.449 1.522 1.00 0.00 N ATOM 727 CA PHE A 50 15.219 11.398 1.014 1.00 0.00 C ATOM 728 C PHE A 50 14.902 10.416 2.126 1.00 0.00 C ATOM 729 O PHE A 50 13.736 10.178 2.405 1.00 0.00 O ATOM 730 CB PHE A 50 15.898 10.661 -0.143 1.00 0.00 C ATOM 731 CG PHE A 50 15.113 9.577 -0.866 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.722 9.668 -1.083 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.828 8.495 -1.413 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.078 8.735 -1.920 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.175 7.537 -2.201 1.00 0.00 C ATOM 736 CZ PHE A 50 13.810 7.684 -2.497 1.00 0.00 C ATOM 0 H PHE A 50 17.005 12.459 1.069 1.00 0.00 H new ATOM 0 HA PHE A 50 14.295 11.850 0.653 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.196 11.405 -0.882 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.812 10.209 0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.151 10.452 -0.608 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.887 8.402 -1.224 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.020 8.828 -2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.721 6.686 -2.580 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.324 6.990 -3.167 1.00 0.00 H new ATOM 746 N GLU A 51 15.927 9.872 2.784 1.00 0.00 N ATOM 747 CA GLU A 51 15.706 8.969 3.916 1.00 0.00 C ATOM 748 C GLU A 51 14.939 9.652 5.055 1.00 0.00 C ATOM 749 O GLU A 51 14.095 9.023 5.689 1.00 0.00 O ATOM 750 CB GLU A 51 17.015 8.355 4.422 1.00 0.00 C ATOM 751 CG GLU A 51 17.457 7.159 3.571 1.00 0.00 C ATOM 752 CD GLU A 51 18.105 7.579 2.254 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.319 7.871 2.293 1.00 0.00 O ATOM 754 OE2 GLU A 51 17.382 7.599 1.234 1.00 0.00 O ATOM 0 H GLU A 51 16.907 10.038 2.557 1.00 0.00 H new ATOM 0 HA GLU A 51 15.083 8.154 3.546 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.798 9.114 4.415 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.889 8.037 5.457 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.162 6.554 4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.593 6.529 3.361 1.00 0.00 H new ATOM 761 N ALA A 52 15.205 10.935 5.309 1.00 0.00 N ATOM 762 CA ALA A 52 14.418 11.733 6.247 1.00 0.00 C ATOM 763 C ALA A 52 12.984 11.959 5.742 1.00 0.00 C ATOM 764 O ALA A 52 12.120 12.382 6.506 1.00 0.00 O ATOM 765 CB ALA A 52 15.118 13.069 6.505 1.00 0.00 C ATOM 0 H ALA A 52 15.970 11.447 4.871 1.00 0.00 H new ATOM 0 HA ALA A 52 14.344 11.179 7.183 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.527 13.660 7.205 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.106 12.886 6.928 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.220 13.613 5.566 1.00 0.00 H new ATOM 771 N LEU A 53 12.738 11.698 4.456 1.00 0.00 N ATOM 772 CA LEU A 53 11.448 11.756 3.792 1.00 0.00 C ATOM 773 C LEU A 53 10.834 13.152 3.877 1.00 0.00 C ATOM 774 O LEU A 53 9.628 13.319 4.037 1.00 0.00 O ATOM 775 CB LEU A 53 10.541 10.607 4.260 1.00 0.00 C ATOM 776 CG LEU A 53 11.092 9.234 3.823 1.00 0.00 C ATOM 777 CD1 LEU A 53 10.456 8.153 4.700 1.00 0.00 C ATOM 778 CD2 LEU A 53 10.832 8.916 2.344 1.00 0.00 C ATOM 0 H LEU A 53 13.485 11.424 3.818 1.00 0.00 H new ATOM 0 HA LEU A 53 11.584 11.591 2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.450 10.634 5.346 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.539 10.744 3.852 1.00 0.00 H new ATOM 0 HG LEU A 53 12.175 9.261 3.946 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.835 7.175 4.404 1.00 0.00 H new ATOM 0 HD12 LEU A 53 10.706 8.338 5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.373 8.175 4.577 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.245 7.936 2.104 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.758 8.913 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 53 11.307 9.673 1.720 1.00 0.00 H new ATOM 790 N ASN A 54 11.677 14.164 3.659 1.00 0.00 N ATOM 791 CA ASN A 54 11.258 15.563 3.637 1.00 0.00 C ATOM 792 C ASN A 54 10.589 15.911 2.302 1.00 0.00 C ATOM 793 O ASN A 54 9.677 16.732 2.251 1.00 0.00 O ATOM 794 CB ASN A 54 12.491 16.438 3.884 1.00 0.00 C ATOM 795 CG ASN A 54 12.301 17.881 3.430 1.00 0.00 C ATOM 796 OD1 ASN A 54 12.885 18.299 2.434 1.00 0.00 O ATOM 797 ND2 ASN A 54 11.494 18.654 4.150 1.00 0.00 N ATOM 0 H ASN A 54 12.675 14.033 3.492 1.00 0.00 H new ATOM 0 HA ASN A 54 10.520 15.743 4.419 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.730 16.426 4.947 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.345 16.008 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.345 19.626 3.880 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.024 18.275 4.972 1.00 0.00 H new ATOM 804 N LEU A 55 11.018 15.263 1.217 1.00 0.00 N ATOM 805 CA LEU A 55 10.661 15.602 -0.162 1.00 0.00 C ATOM 806 C LEU A 55 9.170 15.461 -0.531 1.00 0.00 C ATOM 807 O LEU A 55 8.819 15.642 -1.698 1.00 0.00 O ATOM 808 CB LEU A 55 11.536 14.764 -1.102 1.00 0.00 C ATOM 809 CG LEU A 55 13.019 15.172 -1.081 1.00 0.00 C ATOM 810 CD1 LEU A 55 13.846 14.083 -1.766 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.251 16.491 -1.830 1.00 0.00 C ATOM 0 H LEU A 55 11.645 14.461 1.276 1.00 0.00 H new ATOM 0 HA LEU A 55 10.848 16.670 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.452 13.713 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.156 14.856 -2.119 1.00 0.00 H new ATOM 0 HG LEU A 55 13.317 15.301 -0.041 1.00 0.00 H new ATOM 0 HD11 LEU A 55 14.899 14.365 -1.755 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.717 13.140 -1.235 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.512 13.967 -2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.310 16.748 -1.795 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.939 16.379 -2.868 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.669 17.284 -1.360 1.00 0.00 H new ATOM 823 N SER A 56 8.298 15.148 0.434 1.00 0.00 N ATOM 824 CA SER A 56 6.847 15.200 0.328 1.00 0.00 C ATOM 825 C SER A 56 6.287 14.700 -1.011 1.00 0.00 C ATOM 826 O SER A 56 5.578 15.434 -1.700 1.00 0.00 O ATOM 827 CB SER A 56 6.404 16.633 0.642 1.00 0.00 C ATOM 828 OG SER A 56 6.908 17.029 1.906 1.00 0.00 O ATOM 0 H SER A 56 8.608 14.836 1.355 1.00 0.00 H new ATOM 0 HA SER A 56 6.429 14.501 1.052 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.764 17.312 -0.131 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.316 16.695 0.639 1.00 0.00 H new ATOM 0 HG SER A 56 7.888 17.039 1.879 1.00 0.00 H new ATOM 834 N PHE A 57 6.580 13.439 -1.350 1.00 0.00 N ATOM 835 CA PHE A 57 6.050 12.687 -2.488 1.00 0.00 C ATOM 836 C PHE A 57 6.518 13.193 -3.860 1.00 0.00 C ATOM 837 O PHE A 57 7.085 12.431 -4.642 1.00 0.00 O ATOM 838 CB PHE A 57 4.519 12.572 -2.426 1.00 0.00 C ATOM 839 CG PHE A 57 3.954 11.716 -3.543 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.200 10.331 -3.548 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.338 12.319 -4.658 1.00 0.00 C ATOM 842 CE1 PHE A 57 3.833 9.552 -4.659 1.00 0.00 C ATOM 843 CE2 PHE A 57 2.955 11.536 -5.761 1.00 0.00 C ATOM 844 CZ PHE A 57 3.202 10.153 -5.761 1.00 0.00 C ATOM 0 H PHE A 57 7.235 12.883 -0.800 1.00 0.00 H new ATOM 0 HA PHE A 57 6.478 11.689 -2.390 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.229 12.147 -1.465 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.081 13.569 -2.479 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.672 9.865 -2.696 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.160 13.384 -4.665 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.036 8.491 -4.665 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.471 11.998 -6.609 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.907 9.552 -6.608 1.00 0.00 H new ATOM 854 N LYS A 58 6.251 14.463 -4.170 1.00 0.00 N ATOM 855 CA LYS A 58 6.426 15.052 -5.490 1.00 0.00 C ATOM 856 C LYS A 58 7.781 14.714 -6.118 1.00 0.00 C ATOM 857 O LYS A 58 7.840 14.233 -7.247 1.00 0.00 O ATOM 858 CB LYS A 58 6.137 16.560 -5.421 1.00 0.00 C ATOM 859 CG LYS A 58 7.028 17.338 -4.436 1.00 0.00 C ATOM 860 CD LYS A 58 6.562 18.791 -4.255 1.00 0.00 C ATOM 861 CE LYS A 58 5.180 18.939 -3.599 1.00 0.00 C ATOM 862 NZ LYS A 58 5.106 18.268 -2.289 1.00 0.00 N ATOM 0 H LYS A 58 5.895 15.128 -3.483 1.00 0.00 H new ATOM 0 HA LYS A 58 5.701 14.605 -6.170 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.260 16.986 -6.417 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.094 16.704 -5.139 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.024 16.834 -3.470 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.057 17.330 -4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.296 19.322 -3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 58 6.541 19.277 -5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.951 19.997 -3.476 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.420 18.523 -4.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.178 18.453 -1.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.231 17.243 -2.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 5.856 18.634 -1.669 1.00 0.00 H new ATOM 876 N ASN A 59 8.877 14.941 -5.388 1.00 0.00 N ATOM 877 CA ASN A 59 10.197 14.585 -5.896 1.00 0.00 C ATOM 878 C ASN A 59 10.397 13.080 -5.789 1.00 0.00 C ATOM 879 O ASN A 59 10.956 12.467 -6.698 1.00 0.00 O ATOM 880 CB ASN A 59 11.304 15.294 -5.116 1.00 0.00 C ATOM 881 CG ASN A 59 12.594 15.454 -5.923 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.254 16.481 -5.821 1.00 0.00 O ATOM 883 ND2 ASN A 59 12.981 14.466 -6.728 1.00 0.00 N ATOM 0 H ASN A 59 8.874 15.363 -4.459 1.00 0.00 H new ATOM 0 HA ASN A 59 10.252 14.900 -6.938 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.951 16.278 -4.807 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.518 14.732 -4.207 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.839 14.558 -7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.419 13.618 -6.801 1.00 0.00 H new ATOM 890 N MET A 60 9.994 12.512 -4.649 1.00 0.00 N ATOM 891 CA MET A 60 10.179 11.104 -4.316 1.00 0.00 C ATOM 892 C MET A 60 9.777 10.200 -5.476 1.00 0.00 C ATOM 893 O MET A 60 10.487 9.257 -5.810 1.00 0.00 O ATOM 894 CB MET A 60 9.372 10.698 -3.088 1.00 0.00 C ATOM 895 CG MET A 60 9.724 11.488 -1.835 1.00 0.00 C ATOM 896 SD MET A 60 8.821 10.902 -0.389 1.00 0.00 S ATOM 897 CE MET A 60 9.688 11.858 0.854 1.00 0.00 C ATOM 0 H MET A 60 9.518 13.036 -3.915 1.00 0.00 H new ATOM 0 HA MET A 60 11.241 10.982 -4.104 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.311 10.828 -3.302 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.531 9.637 -2.894 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.795 11.413 -1.648 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.502 12.543 -1.998 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.322 11.585 1.844 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.756 11.652 0.792 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.513 12.920 0.683 1.00 0.00 H new ATOM 907 N CYS A 61 8.630 10.485 -6.088 1.00 0.00 N ATOM 908 CA CYS A 61 8.101 9.671 -7.173 1.00 0.00 C ATOM 909 C CYS A 61 9.037 9.613 -8.385 1.00 0.00 C ATOM 910 O CYS A 61 9.074 8.604 -9.085 1.00 0.00 O ATOM 911 CB CYS A 61 6.713 10.196 -7.547 1.00 0.00 C ATOM 912 SG CYS A 61 6.031 9.214 -8.900 1.00 0.00 S ATOM 0 H CYS A 61 8.045 11.284 -5.845 1.00 0.00 H new ATOM 0 HA CYS A 61 8.021 8.640 -6.827 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.051 10.149 -6.682 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.778 11.243 -7.842 1.00 0.00 H new ATOM 0 HG CYS A 61 6.957 8.440 -9.384 1.00 0.00 H new ATOM 917 N LYS A 62 9.833 10.661 -8.618 1.00 0.00 N ATOM 918 CA LYS A 62 10.880 10.645 -9.634 1.00 0.00 C ATOM 919 C LYS A 62 12.137 9.982 -9.059 1.00 0.00 C ATOM 920 O LYS A 62 12.775 9.139 -9.688 1.00 0.00 O ATOM 921 CB LYS A 62 11.175 12.082 -10.079 1.00 0.00 C ATOM 922 CG LYS A 62 9.910 12.757 -10.626 1.00 0.00 C ATOM 923 CD LYS A 62 10.213 14.138 -11.217 1.00 0.00 C ATOM 924 CE LYS A 62 10.575 15.160 -10.132 1.00 0.00 C ATOM 925 NZ LYS A 62 10.772 16.503 -10.705 1.00 0.00 N ATOM 0 H LYS A 62 9.767 11.541 -8.107 1.00 0.00 H new ATOM 0 HA LYS A 62 10.553 10.072 -10.502 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.563 12.655 -9.237 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.950 12.078 -10.845 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.462 12.124 -11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.176 12.857 -9.826 1.00 0.00 H new ATOM 0 HD2 LYS A 62 11.036 14.056 -11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.346 14.492 -11.774 1.00 0.00 H new ATOM 0 HE2 LYS A 62 9.783 15.194 -9.383 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.484 14.844 -9.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 11.016 17.172 -9.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 11.544 16.473 -11.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.896 16.813 -11.172 1.00 0.00 H new ATOM 939 N LEU A 63 12.489 10.389 -7.841 1.00 0.00 N ATOM 940 CA LEU A 63 13.685 9.991 -7.123 1.00 0.00 C ATOM 941 C LEU A 63 13.787 8.470 -6.979 1.00 0.00 C ATOM 942 O LEU A 63 14.858 7.906 -7.175 1.00 0.00 O ATOM 943 CB LEU A 63 13.633 10.675 -5.758 1.00 0.00 C ATOM 944 CG LEU A 63 14.840 10.526 -4.828 1.00 0.00 C ATOM 945 CD1 LEU A 63 16.135 10.857 -5.570 1.00 0.00 C ATOM 946 CD2 LEU A 63 14.692 11.530 -3.686 1.00 0.00 C ATOM 0 H LEU A 63 11.914 11.039 -7.306 1.00 0.00 H new ATOM 0 HA LEU A 63 14.574 10.295 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.471 11.740 -5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.757 10.298 -5.230 1.00 0.00 H new ATOM 0 HG LEU A 63 14.880 9.500 -4.463 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.981 10.745 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.254 10.178 -6.414 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.094 11.884 -5.933 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.543 11.441 -3.010 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.656 12.541 -4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.771 11.326 -3.139 1.00 0.00 H new ATOM 958 N LYS A 64 12.692 7.790 -6.628 1.00 0.00 N ATOM 959 CA LYS A 64 12.729 6.351 -6.423 1.00 0.00 C ATOM 960 C LYS A 64 13.144 5.604 -7.699 1.00 0.00 C ATOM 961 O LYS A 64 14.171 4.925 -7.675 1.00 0.00 O ATOM 962 CB LYS A 64 11.431 5.871 -5.761 1.00 0.00 C ATOM 963 CG LYS A 64 11.412 4.354 -5.515 1.00 0.00 C ATOM 964 CD LYS A 64 10.591 3.585 -6.561 1.00 0.00 C ATOM 965 CE LYS A 64 10.669 2.072 -6.322 1.00 0.00 C ATOM 966 NZ LYS A 64 10.096 1.688 -5.020 1.00 0.00 N ATOM 0 H LYS A 64 11.777 8.216 -6.482 1.00 0.00 H new ATOM 0 HA LYS A 64 13.518 6.101 -5.714 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.300 6.390 -4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.585 6.142 -6.392 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.435 3.979 -5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.003 4.158 -4.524 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.551 3.909 -6.521 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.960 3.818 -7.560 1.00 0.00 H new ATOM 0 HE2 LYS A 64 10.138 1.551 -7.119 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.710 1.751 -6.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.029 0.652 -4.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.707 2.039 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.147 2.102 -4.923 1.00 0.00 H new ATOM 980 N PRO A 65 12.415 5.712 -8.825 1.00 0.00 N ATOM 981 CA PRO A 65 12.841 5.089 -10.065 1.00 0.00 C ATOM 982 C PRO A 65 14.221 5.598 -10.496 1.00 0.00 C ATOM 983 O PRO A 65 15.048 4.794 -10.915 1.00 0.00 O ATOM 984 CB PRO A 65 11.740 5.354 -11.095 1.00 0.00 C ATOM 985 CG PRO A 65 10.978 6.550 -10.530 1.00 0.00 C ATOM 986 CD PRO A 65 11.156 6.410 -9.016 1.00 0.00 C ATOM 0 HA PRO A 65 12.970 4.013 -9.950 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.158 5.576 -12.077 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.089 4.488 -11.214 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.384 7.493 -10.896 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.926 6.525 -10.814 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.174 7.387 -8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.330 5.852 -8.576 1.00 0.00 H new ATOM 994 N LEU A 66 14.501 6.900 -10.368 1.00 0.00 N ATOM 995 CA LEU A 66 15.820 7.459 -10.661 1.00 0.00 C ATOM 996 C LEU A 66 16.925 6.663 -9.954 1.00 0.00 C ATOM 997 O LEU A 66 17.862 6.174 -10.589 1.00 0.00 O ATOM 998 CB LEU A 66 15.809 8.951 -10.283 1.00 0.00 C ATOM 999 CG LEU A 66 17.124 9.716 -10.512 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.813 11.157 -10.940 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.966 9.783 -9.235 1.00 0.00 C ATOM 0 H LEU A 66 13.819 7.592 -10.059 1.00 0.00 H new ATOM 0 HA LEU A 66 16.042 7.379 -11.725 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.021 9.444 -10.853 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.541 9.036 -9.230 1.00 0.00 H new ATOM 0 HG LEU A 66 17.680 9.184 -11.284 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.745 11.698 -11.102 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.235 11.145 -11.864 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.237 11.653 -10.158 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.887 10.331 -9.435 1.00 0.00 H new ATOM 0 HD22 LEU A 66 17.403 10.294 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.209 8.773 -8.906 1.00 0.00 H new ATOM 1013 N LEU A 67 16.812 6.504 -8.633 1.00 0.00 N ATOM 1014 CA LEU A 67 17.793 5.776 -7.853 1.00 0.00 C ATOM 1015 C LEU A 67 17.764 4.286 -8.167 1.00 0.00 C ATOM 1016 O LEU A 67 18.811 3.648 -8.167 1.00 0.00 O ATOM 1017 CB LEU A 67 17.579 6.031 -6.363 1.00 0.00 C ATOM 1018 CG LEU A 67 17.897 7.474 -5.953 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.496 7.688 -4.502 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.351 7.911 -6.148 1.00 0.00 C ATOM 0 H LEU A 67 16.038 6.878 -8.084 1.00 0.00 H new ATOM 0 HA LEU A 67 18.783 6.142 -8.127 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.544 5.805 -6.106 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.206 5.349 -5.789 1.00 0.00 H new ATOM 0 HG LEU A 67 17.316 8.099 -6.632 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.722 8.714 -4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.427 7.505 -4.389 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.051 6.999 -3.866 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.466 8.946 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.006 7.273 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.618 7.826 -7.201 1.00 0.00 H new ATOM 1032 N GLU A 68 16.589 3.718 -8.440 1.00 0.00 N ATOM 1033 CA GLU A 68 16.488 2.331 -8.866 1.00 0.00 C ATOM 1034 C GLU A 68 17.342 2.115 -10.122 1.00 0.00 C ATOM 1035 O GLU A 68 18.157 1.190 -10.168 1.00 0.00 O ATOM 1036 CB GLU A 68 15.014 1.970 -9.083 1.00 0.00 C ATOM 1037 CG GLU A 68 14.798 0.463 -9.254 1.00 0.00 C ATOM 1038 CD GLU A 68 13.311 0.157 -9.404 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.646 0.045 -8.351 1.00 0.00 O ATOM 1040 OE2 GLU A 68 12.866 0.064 -10.568 1.00 0.00 O ATOM 0 H GLU A 68 15.694 4.203 -8.372 1.00 0.00 H new ATOM 0 HA GLU A 68 16.875 1.664 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.428 2.324 -8.235 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.642 2.490 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.340 0.108 -10.131 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.201 -0.070 -8.393 1.00 0.00 H new ATOM 1047 N LYS A 69 17.176 2.975 -11.132 1.00 0.00 N ATOM 1048 CA LYS A 69 17.956 2.914 -12.359 1.00 0.00 C ATOM 1049 C LYS A 69 19.442 3.090 -12.044 1.00 0.00 C ATOM 1050 O LYS A 69 20.254 2.281 -12.492 1.00 0.00 O ATOM 1051 CB LYS A 69 17.457 3.946 -13.383 1.00 0.00 C ATOM 1052 CG LYS A 69 16.378 3.382 -14.321 1.00 0.00 C ATOM 1053 CD LYS A 69 15.048 3.103 -13.607 1.00 0.00 C ATOM 1054 CE LYS A 69 14.000 2.502 -14.552 1.00 0.00 C ATOM 1055 NZ LYS A 69 14.378 1.153 -15.008 1.00 0.00 N ATOM 0 H LYS A 69 16.493 3.733 -11.115 1.00 0.00 H new ATOM 0 HA LYS A 69 17.824 1.932 -12.813 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.056 4.811 -12.854 1.00 0.00 H new ATOM 0 HB3 LYS A 69 18.300 4.298 -13.977 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.206 4.087 -15.134 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.743 2.459 -14.772 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.220 2.419 -12.776 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.663 4.030 -13.183 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.037 2.456 -14.044 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.874 3.155 -15.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 13.586 0.729 -15.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.210 1.217 -15.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.605 0.559 -14.185 1.00 0.00 H new ATOM 1069 N TRP A 70 19.802 4.113 -11.258 1.00 0.00 N ATOM 1070 CA TRP A 70 21.180 4.288 -10.807 1.00 0.00 C ATOM 1071 C TRP A 70 21.737 2.986 -10.227 1.00 0.00 C ATOM 1072 O TRP A 70 22.829 2.563 -10.595 1.00 0.00 O ATOM 1073 CB TRP A 70 21.279 5.415 -9.773 1.00 0.00 C ATOM 1074 CG TRP A 70 22.612 5.542 -9.097 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.645 6.297 -9.519 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.083 4.881 -7.884 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.729 6.110 -8.687 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.438 5.251 -7.652 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.499 3.998 -6.956 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.172 4.768 -6.555 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.189 3.591 -5.801 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.512 3.994 -5.588 1.00 0.00 C ATOM 0 H TRP A 70 19.156 4.828 -10.924 1.00 0.00 H new ATOM 0 HA TRP A 70 21.780 4.562 -11.675 1.00 0.00 H new ATOM 0 HB2 TRP A 70 21.047 6.360 -10.265 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.516 5.256 -9.011 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.627 6.950 -10.379 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.637 6.555 -8.822 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.501 3.626 -7.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.225 4.988 -6.458 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 22.695 2.964 -5.074 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.024 3.710 -4.681 1.00 0.00 H new ATOM 1093 N LEU A 71 21.000 2.353 -9.312 1.00 0.00 N ATOM 1094 CA LEU A 71 21.468 1.165 -8.614 1.00 0.00 C ATOM 1095 C LEU A 71 21.657 0.034 -9.623 1.00 0.00 C ATOM 1096 O LEU A 71 22.713 -0.590 -9.657 1.00 0.00 O ATOM 1097 CB LEU A 71 20.504 0.792 -7.473 1.00 0.00 C ATOM 1098 CG LEU A 71 21.222 0.304 -6.204 1.00 0.00 C ATOM 1099 CD1 LEU A 71 20.184 0.030 -5.110 1.00 0.00 C ATOM 1100 CD2 LEU A 71 22.044 -0.968 -6.449 1.00 0.00 C ATOM 0 H LEU A 71 20.064 2.653 -9.038 1.00 0.00 H new ATOM 0 HA LEU A 71 22.433 1.360 -8.146 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.893 1.660 -7.225 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.825 0.013 -7.820 1.00 0.00 H new ATOM 0 HG LEU A 71 21.913 1.088 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.689 -0.316 -4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 71 19.636 0.947 -4.890 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.488 -0.735 -5.453 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.531 -1.271 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.385 -1.767 -6.791 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.801 -0.772 -7.209 1.00 0.00 H new ATOM 1112 N ASN A 72 20.651 -0.192 -10.477 1.00 0.00 N ATOM 1113 CA ASN A 72 20.713 -1.200 -11.534 1.00 0.00 C ATOM 1114 C ASN A 72 21.931 -0.983 -12.432 1.00 0.00 C ATOM 1115 O ASN A 72 22.601 -1.942 -12.805 1.00 0.00 O ATOM 1116 CB ASN A 72 19.424 -1.208 -12.369 1.00 0.00 C ATOM 1117 CG ASN A 72 18.323 -2.043 -11.723 1.00 0.00 C ATOM 1118 OD1 ASN A 72 18.063 -3.166 -12.139 1.00 0.00 O ATOM 1119 ND2 ASN A 72 17.651 -1.510 -10.708 1.00 0.00 N ATOM 0 H ASN A 72 19.770 0.322 -10.451 1.00 0.00 H new ATOM 0 HA ASN A 72 20.813 -2.173 -11.053 1.00 0.00 H new ATOM 0 HB2 ASN A 72 19.072 -0.185 -12.500 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.639 -1.601 -13.363 1.00 0.00 H new ATOM 0 HD21 ASN A 72 16.902 -2.037 -10.259 1.00 0.00 H new ATOM 0 HD22 ASN A 72 17.884 -0.574 -10.378 1.00 0.00 H new ATOM 1126 N ASP A 73 22.215 0.271 -12.795 1.00 0.00 N ATOM 1127 CA ASP A 73 23.374 0.604 -13.610 1.00 0.00 C ATOM 1128 C ASP A 73 24.678 0.331 -12.853 1.00 0.00 C ATOM 1129 O ASP A 73 25.586 -0.305 -13.380 1.00 0.00 O ATOM 1130 CB ASP A 73 23.288 2.072 -14.046 1.00 0.00 C ATOM 1131 CG ASP A 73 24.491 2.470 -14.894 1.00 0.00 C ATOM 1132 OD1 ASP A 73 24.401 2.290 -16.127 1.00 0.00 O ATOM 1133 OD2 ASP A 73 25.477 2.951 -14.294 1.00 0.00 O ATOM 0 H ASP A 73 21.648 1.076 -12.531 1.00 0.00 H new ATOM 0 HA ASP A 73 23.376 -0.030 -14.497 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.371 2.232 -14.614 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.233 2.712 -13.166 1.00 0.00 H new ATOM 1138 N ALA A 74 24.783 0.859 -11.632 1.00 0.00 N ATOM 1139 CA ALA A 74 26.019 0.883 -10.866 1.00 0.00 C ATOM 1140 C ALA A 74 26.384 -0.496 -10.317 1.00 0.00 C ATOM 1141 O ALA A 74 27.514 -0.950 -10.490 1.00 0.00 O ATOM 1142 CB ALA A 74 25.890 1.907 -9.732 1.00 0.00 C ATOM 0 H ALA A 74 23.996 1.287 -11.145 1.00 0.00 H new ATOM 0 HA ALA A 74 26.830 1.176 -11.533 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.814 1.929 -9.155 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.702 2.895 -10.153 1.00 0.00 H new ATOM 0 HB3 ALA A 74 25.062 1.627 -9.081 1.00 0.00 H new