USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 924 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 12 GLN : amide:sc= 0 X(o=0,f=-4.4e-05) USER MOD Set 1.2: A 71 LYS NZ :NH3+ -167:sc= 0 (180deg=0) USER MOD Set 2.1: A 47 TYR OH : rot 155:sc= 1.33 USER MOD Set 2.2: A 108 LYS NZ :NH3+ 154:sc= 0.451 (180deg=-0.00504) USER MOD Set 3.1: A 9 THR OG1 : rot 99:sc= 1.05 USER MOD Set 3.2: A 35 TYR OH : rot -104:sc= 0.00735 USER MOD Set 4.1: A 7 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 8 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0719) USER MOD Single : A 0 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 51:sc= 0.198 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 MET CE :methyl -159:sc= -0.183 (180deg=-1.07) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -2.67! C(o=-2.7!,f=-3.6!) USER MOD Single : A 26 TYR OH : rot 142:sc= 1.23 USER MOD Single : A 27 MET CE :methyl 176:sc= -1.26 (180deg=-1.29) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -6.33! C(o=-6.3!,f=-13!) USER MOD Single : A 38 MET CE :methyl -172:sc= -0.901 (180deg=-1.13) USER MOD Single : A 42 SER OG : rot 90:sc= 0.179 USER MOD Single : A 44 TYR OH : rot 152:sc= -1.97 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot -160:sc= -0.659 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.309 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -117:sc= 1.01 (180deg=-0.0183) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -116:sc= 1.16 USER MOD Single : A 68 HIS : no HE2:sc= -3.53! C(o=-3.5!,f=-7.7!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 153:sc= -0.0825 (180deg=-0.546) USER MOD Single : A 75 ASN : amide:sc=-0.00681 K(o=-0.0068,f=-0.6) USER MOD Single : A 76 THR OG1 : rot 49:sc= 1.31 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.475 F(o=-1.4,f=-0.47) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.0546 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0.0399 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0356 USER MOD Single : A 103 ASN : amide:sc= -0.636 X(o=-0.64,f=-0.21) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 TYR OH : rot 140:sc= 0.404 USER MOD Single : A 111 SER OG : rot 180:sc= -0.347 USER MOD Single : A 113 SER OG : rot 61:sc= 0.0252 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 25.473 -4.104 21.258 1.00 0.00 N ATOM 2 CA GLY A 0 26.022 -3.063 20.345 1.00 0.00 C ATOM 3 C GLY A 0 24.934 -2.267 19.653 1.00 0.00 C ATOM 4 O GLY A 0 24.127 -1.606 20.306 1.00 0.00 O ATOM 0 H1 GLY A 0 26.256 -4.620 21.707 1.00 0.00 H new ATOM 0 H2 GLY A 0 24.892 -3.651 21.992 1.00 0.00 H new ATOM 0 H3 GLY A 0 24.887 -4.769 20.714 1.00 0.00 H new ATOM 0 HA2 GLY A 0 26.659 -2.385 20.913 1.00 0.00 H new ATOM 0 HA3 GLY A 0 26.653 -3.539 19.594 1.00 0.00 H new ATOM 10 N SER A 1 24.913 -2.329 18.325 1.00 0.00 N ATOM 11 CA SER A 1 23.915 -1.608 17.543 1.00 0.00 C ATOM 12 C SER A 1 22.735 -2.511 17.198 1.00 0.00 C ATOM 13 O SER A 1 22.823 -3.350 16.303 1.00 0.00 O ATOM 14 CB SER A 1 24.543 -1.060 16.260 1.00 0.00 C ATOM 15 OG SER A 1 25.308 -2.054 15.600 1.00 0.00 O ATOM 0 H SER A 1 25.575 -2.870 17.769 1.00 0.00 H new ATOM 0 HA SER A 1 23.549 -0.777 18.146 1.00 0.00 H new ATOM 0 HB2 SER A 1 23.760 -0.698 15.594 1.00 0.00 H new ATOM 0 HB3 SER A 1 25.178 -0.207 16.498 1.00 0.00 H new ATOM 0 HG SER A 1 24.769 -2.865 15.494 1.00 0.00 H new ATOM 21 N MET A 2 21.631 -2.333 17.918 1.00 0.00 N ATOM 22 CA MET A 2 20.433 -3.133 17.689 1.00 0.00 C ATOM 23 C MET A 2 19.177 -2.351 18.063 1.00 0.00 C ATOM 24 O MET A 2 18.994 -1.970 19.220 1.00 0.00 O ATOM 25 CB MET A 2 20.502 -4.434 18.492 1.00 0.00 C ATOM 26 CG MET A 2 20.415 -5.685 17.633 1.00 0.00 C ATOM 27 SD MET A 2 19.581 -7.046 18.472 1.00 0.00 S ATOM 28 CE MET A 2 20.051 -8.426 17.431 1.00 0.00 C ATOM 0 H MET A 2 21.542 -1.643 18.664 1.00 0.00 H new ATOM 0 HA MET A 2 20.383 -3.374 16.627 1.00 0.00 H new ATOM 0 HB2 MET A 2 21.435 -4.454 19.055 1.00 0.00 H new ATOM 0 HB3 MET A 2 19.690 -4.446 19.219 1.00 0.00 H new ATOM 0 HG2 MET A 2 19.883 -5.452 16.710 1.00 0.00 H new ATOM 0 HG3 MET A 2 21.420 -5.998 17.351 1.00 0.00 H new ATOM 0 HE1 MET A 2 19.610 -9.343 17.822 1.00 0.00 H new ATOM 0 HE2 MET A 2 19.692 -8.255 16.416 1.00 0.00 H new ATOM 0 HE3 MET A 2 21.137 -8.521 17.421 1.00 0.00 H new ATOM 38 N MET A 3 18.318 -2.115 17.079 1.00 0.00 N ATOM 39 CA MET A 3 17.079 -1.378 17.305 1.00 0.00 C ATOM 40 C MET A 3 15.875 -2.172 16.806 1.00 0.00 C ATOM 41 O MET A 3 15.373 -1.932 15.708 1.00 0.00 O ATOM 42 CB MET A 3 17.134 -0.020 16.606 1.00 0.00 C ATOM 43 CG MET A 3 18.402 0.766 16.902 1.00 0.00 C ATOM 44 SD MET A 3 19.611 0.665 15.569 1.00 0.00 S ATOM 45 CE MET A 3 20.001 2.398 15.334 1.00 0.00 C ATOM 0 H MET A 3 18.456 -2.423 16.116 1.00 0.00 H new ATOM 0 HA MET A 3 16.969 -1.222 18.378 1.00 0.00 H new ATOM 0 HB2 MET A 3 17.053 -0.171 15.530 1.00 0.00 H new ATOM 0 HB3 MET A 3 16.270 0.571 16.911 1.00 0.00 H new ATOM 0 HG2 MET A 3 18.145 1.811 17.075 1.00 0.00 H new ATOM 0 HG3 MET A 3 18.850 0.392 17.822 1.00 0.00 H new ATOM 0 HE1 MET A 3 20.739 2.500 14.538 1.00 0.00 H new ATOM 0 HE2 MET A 3 19.096 2.941 15.061 1.00 0.00 H new ATOM 0 HE3 MET A 3 20.406 2.809 16.259 1.00 0.00 H new ATOM 55 N MET A 4 15.416 -3.116 17.621 1.00 0.00 N ATOM 56 CA MET A 4 14.271 -3.945 17.263 1.00 0.00 C ATOM 57 C MET A 4 14.552 -4.743 15.992 1.00 0.00 C ATOM 58 O MET A 4 15.688 -4.800 15.522 1.00 0.00 O ATOM 59 CB MET A 4 13.025 -3.075 17.073 1.00 0.00 C ATOM 60 CG MET A 4 11.926 -3.361 18.083 1.00 0.00 C ATOM 61 SD MET A 4 12.219 -2.562 19.673 1.00 0.00 S ATOM 62 CE MET A 4 13.149 -3.834 20.525 1.00 0.00 C ATOM 0 H MET A 4 15.819 -3.326 18.534 1.00 0.00 H new ATOM 0 HA MET A 4 14.093 -4.648 18.077 1.00 0.00 H new ATOM 0 HB2 MET A 4 13.310 -2.025 17.146 1.00 0.00 H new ATOM 0 HB3 MET A 4 12.633 -3.230 16.068 1.00 0.00 H new ATOM 0 HG2 MET A 4 10.971 -3.022 17.681 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.845 -4.438 18.231 1.00 0.00 H new ATOM 0 HE1 MET A 4 13.087 -3.671 21.601 1.00 0.00 H new ATOM 0 HE2 MET A 4 12.735 -4.812 20.282 1.00 0.00 H new ATOM 0 HE3 MET A 4 14.192 -3.794 20.212 1.00 0.00 H new ATOM 72 N ALA A 5 13.509 -5.358 15.444 1.00 0.00 N ATOM 73 CA ALA A 5 13.643 -6.154 14.230 1.00 0.00 C ATOM 74 C ALA A 5 13.291 -5.333 12.993 1.00 0.00 C ATOM 75 O ALA A 5 12.601 -5.812 12.092 1.00 0.00 O ATOM 76 CB ALA A 5 12.764 -7.392 14.313 1.00 0.00 C ATOM 0 H ALA A 5 12.562 -5.320 15.821 1.00 0.00 H new ATOM 0 HA ALA A 5 14.684 -6.466 14.141 1.00 0.00 H new ATOM 0 HB1 ALA A 5 12.873 -7.978 13.400 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.065 -7.995 15.169 1.00 0.00 H new ATOM 0 HB3 ALA A 5 11.723 -7.092 14.429 1.00 0.00 H new ATOM 82 N LEU A 6 13.770 -4.094 12.955 1.00 0.00 N ATOM 83 CA LEU A 6 13.507 -3.206 11.828 1.00 0.00 C ATOM 84 C LEU A 6 14.785 -2.505 11.377 1.00 0.00 C ATOM 85 O LEU A 6 15.770 -2.454 12.114 1.00 0.00 O ATOM 86 CB LEU A 6 12.448 -2.169 12.205 1.00 0.00 C ATOM 87 CG LEU A 6 11.117 -2.748 12.687 1.00 0.00 C ATOM 88 CD1 LEU A 6 10.507 -1.862 13.762 1.00 0.00 C ATOM 89 CD2 LEU A 6 10.156 -2.912 11.520 1.00 0.00 C ATOM 0 H LEU A 6 14.342 -3.682 13.692 1.00 0.00 H new ATOM 0 HA LEU A 6 13.135 -3.810 11.001 1.00 0.00 H new ATOM 0 HB2 LEU A 6 12.852 -1.527 12.988 1.00 0.00 H new ATOM 0 HB3 LEU A 6 12.258 -1.535 11.339 1.00 0.00 H new ATOM 0 HG LEU A 6 11.305 -3.731 13.120 1.00 0.00 H new ATOM 0 HD11 LEU A 6 9.561 -2.290 14.093 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.190 -1.794 14.609 1.00 0.00 H new ATOM 0 HD13 LEU A 6 10.332 -0.865 13.356 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.214 -3.325 11.880 1.00 0.00 H new ATOM 0 HD22 LEU A 6 9.974 -1.941 11.059 1.00 0.00 H new ATOM 0 HD23 LEU A 6 10.590 -3.588 10.783 1.00 0.00 H new ATOM 101 N SER A 7 14.761 -1.965 10.162 1.00 0.00 N ATOM 102 CA SER A 7 15.918 -1.267 9.614 1.00 0.00 C ATOM 103 C SER A 7 15.526 -0.419 8.409 1.00 0.00 C ATOM 104 O SER A 7 15.959 0.726 8.275 1.00 0.00 O ATOM 105 CB SER A 7 17.004 -2.268 9.216 1.00 0.00 C ATOM 106 OG SER A 7 18.088 -1.618 8.574 1.00 0.00 O ATOM 0 H SER A 7 13.954 -1.998 9.539 1.00 0.00 H new ATOM 0 HA SER A 7 16.308 -0.606 10.387 1.00 0.00 H new ATOM 0 HB2 SER A 7 17.363 -2.791 10.102 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.582 -3.021 8.551 1.00 0.00 H new ATOM 0 HG SER A 7 18.769 -2.280 8.331 1.00 0.00 H new ATOM 112 N LYS A 8 14.705 -0.989 7.538 1.00 0.00 N ATOM 113 CA LYS A 8 14.252 -0.289 6.341 1.00 0.00 C ATOM 114 C LYS A 8 12.905 0.385 6.581 1.00 0.00 C ATOM 115 O LYS A 8 12.635 1.463 6.050 1.00 0.00 O ATOM 116 CB LYS A 8 14.148 -1.262 5.165 1.00 0.00 C ATOM 117 CG LYS A 8 15.380 -2.133 4.985 1.00 0.00 C ATOM 118 CD LYS A 8 16.376 -1.498 4.030 1.00 0.00 C ATOM 119 CE LYS A 8 17.634 -2.340 3.895 1.00 0.00 C ATOM 120 NZ LYS A 8 18.448 -2.330 5.143 1.00 0.00 N ATOM 0 H LYS A 8 14.338 -1.935 7.637 1.00 0.00 H new ATOM 0 HA LYS A 8 14.985 0.482 6.102 1.00 0.00 H new ATOM 0 HB2 LYS A 8 13.278 -1.903 5.310 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.977 -0.695 4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 8 15.855 -2.297 5.952 1.00 0.00 H new ATOM 0 HG3 LYS A 8 15.083 -3.111 4.606 1.00 0.00 H new ATOM 0 HD2 LYS A 8 15.914 -1.373 3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 8 16.640 -0.503 4.387 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.359 -3.366 3.649 1.00 0.00 H new ATOM 0 HE3 LYS A 8 18.235 -1.964 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 19.365 -2.786 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.604 -1.348 5.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.944 -2.849 5.890 1.00 0.00 H new ATOM 134 N THR A 9 12.063 -0.258 7.382 1.00 0.00 N ATOM 135 CA THR A 9 10.742 0.277 7.692 1.00 0.00 C ATOM 136 C THR A 9 10.631 0.614 9.176 1.00 0.00 C ATOM 137 O THR A 9 11.135 -0.117 10.028 1.00 0.00 O ATOM 138 CB THR A 9 9.661 -0.724 7.292 1.00 0.00 C ATOM 139 OG1 THR A 9 9.608 -1.803 8.210 1.00 0.00 O ATOM 140 CG2 THR A 9 9.872 -1.305 5.910 1.00 0.00 C ATOM 0 H THR A 9 12.272 -1.151 7.829 1.00 0.00 H new ATOM 0 HA THR A 9 10.599 1.195 7.122 1.00 0.00 H new ATOM 0 HB THR A 9 8.728 -0.161 7.296 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.876 -1.657 8.845 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.071 -2.009 5.685 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.867 -0.502 5.173 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.830 -1.823 5.876 1.00 0.00 H new ATOM 148 N PHE A 10 9.987 1.738 9.477 1.00 0.00 N ATOM 149 CA PHE A 10 9.832 2.184 10.861 1.00 0.00 C ATOM 150 C PHE A 10 8.377 2.491 11.208 1.00 0.00 C ATOM 151 O PHE A 10 7.710 3.254 10.513 1.00 0.00 O ATOM 152 CB PHE A 10 10.676 3.441 11.100 1.00 0.00 C ATOM 153 CG PHE A 10 11.695 3.703 10.025 1.00 0.00 C ATOM 154 CD1 PHE A 10 12.755 2.833 9.829 1.00 0.00 C ATOM 155 CD2 PHE A 10 11.582 4.813 9.204 1.00 0.00 C ATOM 156 CE1 PHE A 10 13.685 3.067 8.833 1.00 0.00 C ATOM 157 CE2 PHE A 10 12.509 5.053 8.208 1.00 0.00 C ATOM 158 CZ PHE A 10 13.561 4.179 8.021 1.00 0.00 C ATOM 0 H PHE A 10 9.565 2.356 8.784 1.00 0.00 H new ATOM 0 HA PHE A 10 10.169 1.369 11.502 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.013 4.303 11.177 1.00 0.00 H new ATOM 0 HB3 PHE A 10 11.188 3.346 12.058 1.00 0.00 H new ATOM 0 HD1 PHE A 10 12.856 1.963 10.461 1.00 0.00 H new ATOM 0 HD2 PHE A 10 10.760 5.499 9.344 1.00 0.00 H new ATOM 0 HE1 PHE A 10 14.507 2.382 8.689 1.00 0.00 H new ATOM 0 HE2 PHE A 10 12.411 5.924 7.576 1.00 0.00 H new ATOM 0 HZ PHE A 10 14.286 4.364 7.242 1.00 0.00 H new ATOM 168 N GLY A 11 7.899 1.925 12.314 1.00 0.00 N ATOM 169 CA GLY A 11 6.539 2.192 12.747 1.00 0.00 C ATOM 170 C GLY A 11 5.604 1.000 12.653 1.00 0.00 C ATOM 171 O GLY A 11 6.013 -0.109 12.311 1.00 0.00 O ATOM 0 H GLY A 11 8.426 1.290 12.914 1.00 0.00 H new ATOM 0 HA2 GLY A 11 6.561 2.540 13.780 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.133 3.005 12.146 1.00 0.00 H new ATOM 175 N GLN A 12 4.338 1.258 12.967 1.00 0.00 N ATOM 176 CA GLN A 12 3.284 0.248 12.940 1.00 0.00 C ATOM 177 C GLN A 12 2.988 -0.210 11.516 1.00 0.00 C ATOM 178 O GLN A 12 3.286 0.495 10.552 1.00 0.00 O ATOM 179 CB GLN A 12 2.011 0.792 13.593 1.00 0.00 C ATOM 180 CG GLN A 12 1.715 0.173 14.949 1.00 0.00 C ATOM 181 CD GLN A 12 0.392 0.637 15.526 1.00 0.00 C ATOM 182 OE1 GLN A 12 0.072 1.825 15.497 1.00 0.00 O ATOM 183 NE2 GLN A 12 -0.385 -0.301 16.056 1.00 0.00 N ATOM 0 H GLN A 12 4.012 2.182 13.250 1.00 0.00 H new ATOM 0 HA GLN A 12 3.635 -0.615 13.505 1.00 0.00 H new ATOM 0 HB2 GLN A 12 2.104 1.872 13.708 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.166 0.613 12.928 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.705 -0.913 14.854 1.00 0.00 H new ATOM 0 HG3 GLN A 12 2.518 0.425 15.642 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -0.080 -1.274 16.059 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -1.287 -0.048 16.460 1.00 0.00 H new ATOM 192 N LYS A 13 2.408 -1.401 11.393 1.00 0.00 N ATOM 193 CA LYS A 13 2.082 -1.957 10.088 1.00 0.00 C ATOM 194 C LYS A 13 0.963 -1.145 9.438 1.00 0.00 C ATOM 195 O LYS A 13 0.022 -0.720 10.108 1.00 0.00 O ATOM 196 CB LYS A 13 1.652 -3.423 10.240 1.00 0.00 C ATOM 197 CG LYS A 13 0.973 -4.017 9.007 1.00 0.00 C ATOM 198 CD LYS A 13 1.870 -5.024 8.305 1.00 0.00 C ATOM 199 CE LYS A 13 2.302 -6.142 9.241 1.00 0.00 C ATOM 200 NZ LYS A 13 2.627 -7.392 8.501 1.00 0.00 N ATOM 0 H LYS A 13 2.155 -1.997 12.181 1.00 0.00 H new ATOM 0 HA LYS A 13 2.965 -1.911 9.450 1.00 0.00 H new ATOM 0 HB2 LYS A 13 2.530 -4.023 10.479 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.971 -3.502 11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 13 0.042 -4.501 9.301 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.711 -3.217 8.314 1.00 0.00 H new ATOM 0 HD2 LYS A 13 1.342 -5.448 7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 13 2.751 -4.516 7.914 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.173 -5.821 9.812 1.00 0.00 H new ATOM 0 HE3 LYS A 13 1.507 -6.342 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 2.917 -8.129 9.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 1.788 -7.713 7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.403 -7.209 7.834 1.00 0.00 H new ATOM 214 N PRO A 14 1.061 -0.910 8.117 1.00 0.00 N ATOM 215 CA PRO A 14 0.062 -0.136 7.376 1.00 0.00 C ATOM 216 C PRO A 14 -1.303 -0.805 7.386 1.00 0.00 C ATOM 217 O PRO A 14 -1.413 -2.011 7.612 1.00 0.00 O ATOM 218 CB PRO A 14 0.621 -0.088 5.946 1.00 0.00 C ATOM 219 CG PRO A 14 2.064 -0.433 6.078 1.00 0.00 C ATOM 220 CD PRO A 14 2.150 -1.374 7.241 1.00 0.00 C ATOM 0 HA PRO A 14 -0.093 0.849 7.816 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.105 -0.796 5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 14 0.491 0.901 5.506 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.440 -0.900 5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.666 0.459 6.251 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.009 -2.410 6.934 1.00 0.00 H new ATOM 0 HD3 PRO A 14 3.119 -1.318 7.736 1.00 0.00 H new ATOM 228 N VAL A 15 -2.343 -0.022 7.131 1.00 0.00 N ATOM 229 CA VAL A 15 -3.694 -0.555 7.105 1.00 0.00 C ATOM 230 C VAL A 15 -3.905 -1.397 5.854 1.00 0.00 C ATOM 231 O VAL A 15 -3.793 -0.899 4.724 1.00 0.00 O ATOM 232 CB VAL A 15 -4.752 0.562 7.153 1.00 0.00 C ATOM 233 CG1 VAL A 15 -4.653 1.337 8.458 1.00 0.00 C ATOM 234 CG2 VAL A 15 -4.611 1.490 5.959 1.00 0.00 C ATOM 0 H VAL A 15 -2.276 0.978 6.941 1.00 0.00 H new ATOM 0 HA VAL A 15 -3.814 -1.175 7.993 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.739 0.101 7.106 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -5.409 2.122 8.473 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.816 0.660 9.297 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.663 1.785 8.541 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.369 2.271 6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.620 1.944 5.966 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.743 0.921 5.039 1.00 0.00 H new ATOM 244 N LYS A 16 -4.196 -2.676 6.065 1.00 0.00 N ATOM 245 CA LYS A 16 -4.415 -3.607 4.970 1.00 0.00 C ATOM 246 C LYS A 16 -5.894 -3.952 4.844 1.00 0.00 C ATOM 247 O LYS A 16 -6.646 -3.867 5.814 1.00 0.00 O ATOM 248 CB LYS A 16 -3.601 -4.885 5.188 1.00 0.00 C ATOM 249 CG LYS A 16 -3.838 -5.538 6.539 1.00 0.00 C ATOM 250 CD LYS A 16 -3.788 -7.053 6.437 1.00 0.00 C ATOM 251 CE LYS A 16 -2.686 -7.637 7.304 1.00 0.00 C ATOM 252 NZ LYS A 16 -2.722 -9.125 7.323 1.00 0.00 N ATOM 0 H LYS A 16 -4.286 -3.092 6.992 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.088 -3.129 4.047 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.845 -5.599 4.402 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.541 -4.651 5.088 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.085 -5.194 7.248 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.808 -5.230 6.929 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.749 -7.470 6.739 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.627 -7.343 5.399 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.717 -7.302 6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.786 -7.259 8.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.954 -9.483 7.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.637 -9.445 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.601 -9.488 6.356 1.00 0.00 H new ATOM 266 N PHE A 17 -6.304 -4.342 3.644 1.00 0.00 N ATOM 267 CA PHE A 17 -7.693 -4.700 3.394 1.00 0.00 C ATOM 268 C PHE A 17 -7.798 -5.688 2.239 1.00 0.00 C ATOM 269 O PHE A 17 -6.825 -5.928 1.527 1.00 0.00 O ATOM 270 CB PHE A 17 -8.522 -3.452 3.091 1.00 0.00 C ATOM 271 CG PHE A 17 -7.869 -2.520 2.111 1.00 0.00 C ATOM 272 CD1 PHE A 17 -7.142 -1.429 2.555 1.00 0.00 C ATOM 273 CD2 PHE A 17 -7.984 -2.733 0.746 1.00 0.00 C ATOM 274 CE1 PHE A 17 -6.541 -0.566 1.659 1.00 0.00 C ATOM 275 CE2 PHE A 17 -7.385 -1.875 -0.157 1.00 0.00 C ATOM 276 CZ PHE A 17 -6.662 -0.788 0.301 1.00 0.00 C ATOM 0 H PHE A 17 -5.695 -4.418 2.830 1.00 0.00 H new ATOM 0 HA PHE A 17 -8.086 -5.174 4.293 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -9.492 -3.757 2.699 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -8.709 -2.915 4.021 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.043 -1.250 3.615 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -8.548 -3.580 0.384 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.977 0.281 2.020 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.481 -2.053 -1.218 1.00 0.00 H new ATOM 0 HZ PHE A 17 -6.193 -0.115 -0.401 1.00 0.00 H new ATOM 286 N GLN A 18 -8.985 -6.255 2.059 1.00 0.00 N ATOM 287 CA GLN A 18 -9.213 -7.217 0.989 1.00 0.00 C ATOM 288 C GLN A 18 -9.960 -6.567 -0.170 1.00 0.00 C ATOM 289 O GLN A 18 -11.006 -5.946 0.021 1.00 0.00 O ATOM 290 CB GLN A 18 -10.006 -8.416 1.516 1.00 0.00 C ATOM 291 CG GLN A 18 -9.559 -9.744 0.930 1.00 0.00 C ATOM 292 CD GLN A 18 -10.725 -10.613 0.506 1.00 0.00 C ATOM 293 OE1 GLN A 18 -11.709 -10.124 -0.051 1.00 0.00 O ATOM 294 NE2 GLN A 18 -10.623 -11.909 0.766 1.00 0.00 N ATOM 0 H GLN A 18 -9.802 -6.066 2.639 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.245 -7.562 0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -9.910 -8.456 2.601 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -11.063 -8.268 1.295 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.916 -9.560 0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.960 -10.279 1.667 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.790 -12.272 1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -11.377 -12.543 0.503 1.00 0.00 H new ATOM 303 N LEU A 19 -9.414 -6.712 -1.372 1.00 0.00 N ATOM 304 CA LEU A 19 -10.025 -6.135 -2.563 1.00 0.00 C ATOM 305 C LEU A 19 -10.735 -7.204 -3.387 1.00 0.00 C ATOM 306 O LEU A 19 -11.731 -6.926 -4.055 1.00 0.00 O ATOM 307 CB LEU A 19 -8.965 -5.437 -3.418 1.00 0.00 C ATOM 308 CG LEU A 19 -8.316 -4.211 -2.774 1.00 0.00 C ATOM 309 CD1 LEU A 19 -7.338 -3.558 -3.742 1.00 0.00 C ATOM 310 CD2 LEU A 19 -9.381 -3.217 -2.333 1.00 0.00 C ATOM 0 H LEU A 19 -8.549 -7.224 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.764 -5.402 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.184 -6.157 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -9.422 -5.134 -4.360 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.762 -4.533 -1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.885 -2.687 -3.269 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.559 -4.272 -4.010 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.869 -3.247 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.903 -2.350 -1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.961 -2.898 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.042 -3.690 -1.607 1.00 0.00 H new ATOM 322 N GLU A 20 -10.216 -8.428 -3.340 1.00 0.00 N ATOM 323 CA GLU A 20 -10.805 -9.535 -4.090 1.00 0.00 C ATOM 324 C GLU A 20 -11.180 -10.690 -3.165 1.00 0.00 C ATOM 325 O GLU A 20 -10.523 -10.931 -2.154 1.00 0.00 O ATOM 326 CB GLU A 20 -9.837 -10.028 -5.169 1.00 0.00 C ATOM 327 CG GLU A 20 -9.062 -8.912 -5.852 1.00 0.00 C ATOM 328 CD GLU A 20 -8.990 -9.086 -7.357 1.00 0.00 C ATOM 329 OE1 GLU A 20 -8.071 -9.785 -7.830 1.00 0.00 O ATOM 330 OE2 GLU A 20 -9.856 -8.525 -8.060 1.00 0.00 O ATOM 0 H GLU A 20 -9.392 -8.678 -2.793 1.00 0.00 H new ATOM 0 HA GLU A 20 -11.713 -9.166 -4.567 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.131 -10.726 -4.719 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.398 -10.582 -5.922 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -9.532 -7.956 -5.623 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.051 -8.876 -5.446 1.00 0.00 H new ATOM 337 N ASP A 21 -12.243 -11.399 -3.529 1.00 0.00 N ATOM 338 CA ASP A 21 -12.728 -12.534 -2.749 1.00 0.00 C ATOM 339 C ASP A 21 -11.728 -13.692 -2.746 1.00 0.00 C ATOM 340 O ASP A 21 -11.880 -14.645 -1.982 1.00 0.00 O ATOM 341 CB ASP A 21 -14.071 -13.015 -3.298 1.00 0.00 C ATOM 342 CG ASP A 21 -15.025 -13.443 -2.200 1.00 0.00 C ATOM 343 OD1 ASP A 21 -14.567 -14.083 -1.231 1.00 0.00 O ATOM 344 OD2 ASP A 21 -16.232 -13.138 -2.310 1.00 0.00 O ATOM 0 H ASP A 21 -12.790 -11.206 -4.368 1.00 0.00 H new ATOM 0 HA ASP A 21 -12.852 -12.195 -1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -14.529 -12.216 -3.882 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -13.904 -13.851 -3.977 1.00 0.00 H new ATOM 349 N ASP A 22 -10.720 -13.619 -3.611 1.00 0.00 N ATOM 350 CA ASP A 22 -9.720 -14.680 -3.708 1.00 0.00 C ATOM 351 C ASP A 22 -8.648 -14.562 -2.622 1.00 0.00 C ATOM 352 O ASP A 22 -7.703 -15.350 -2.593 1.00 0.00 O ATOM 353 CB ASP A 22 -9.061 -14.656 -5.088 1.00 0.00 C ATOM 354 CG ASP A 22 -8.403 -15.977 -5.439 1.00 0.00 C ATOM 355 OD1 ASP A 22 -8.967 -16.717 -6.271 1.00 0.00 O ATOM 356 OD2 ASP A 22 -7.326 -16.269 -4.881 1.00 0.00 O ATOM 0 H ASP A 22 -10.574 -12.840 -4.253 1.00 0.00 H new ATOM 0 HA ASP A 22 -10.237 -15.628 -3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.811 -14.416 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -8.314 -13.862 -5.117 1.00 0.00 H new ATOM 361 N GLY A 23 -8.802 -13.593 -1.723 1.00 0.00 N ATOM 362 CA GLY A 23 -7.839 -13.426 -0.650 1.00 0.00 C ATOM 363 C GLY A 23 -6.782 -12.380 -0.948 1.00 0.00 C ATOM 364 O GLY A 23 -5.723 -12.368 -0.322 1.00 0.00 O ATOM 0 H GLY A 23 -9.572 -12.924 -1.719 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.367 -13.149 0.262 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -7.351 -14.381 -0.458 1.00 0.00 H new ATOM 368 N GLU A 24 -7.065 -11.495 -1.899 1.00 0.00 N ATOM 369 CA GLU A 24 -6.120 -10.444 -2.258 1.00 0.00 C ATOM 370 C GLU A 24 -6.137 -9.331 -1.217 1.00 0.00 C ATOM 371 O GLU A 24 -7.156 -8.670 -1.017 1.00 0.00 O ATOM 372 CB GLU A 24 -6.452 -9.880 -3.643 1.00 0.00 C ATOM 373 CG GLU A 24 -5.367 -10.131 -4.677 1.00 0.00 C ATOM 374 CD GLU A 24 -5.825 -9.823 -6.088 1.00 0.00 C ATOM 375 OE1 GLU A 24 -6.023 -8.630 -6.402 1.00 0.00 O ATOM 376 OE2 GLU A 24 -5.985 -10.775 -6.881 1.00 0.00 O ATOM 0 H GLU A 24 -7.935 -11.484 -2.431 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.119 -10.875 -2.287 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.385 -10.322 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.620 -8.806 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.496 -9.520 -4.440 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.051 -11.173 -4.621 1.00 0.00 H new ATOM 383 N PHE A 25 -5.004 -9.132 -0.550 1.00 0.00 N ATOM 384 CA PHE A 25 -4.894 -8.105 0.477 1.00 0.00 C ATOM 385 C PHE A 25 -3.960 -6.982 0.041 1.00 0.00 C ATOM 386 O PHE A 25 -2.852 -7.229 -0.434 1.00 0.00 O ATOM 387 CB PHE A 25 -4.397 -8.715 1.786 1.00 0.00 C ATOM 388 CG PHE A 25 -5.503 -9.106 2.724 1.00 0.00 C ATOM 389 CD1 PHE A 25 -5.855 -8.288 3.787 1.00 0.00 C ATOM 390 CD2 PHE A 25 -6.192 -10.294 2.539 1.00 0.00 C ATOM 391 CE1 PHE A 25 -6.875 -8.650 4.648 1.00 0.00 C ATOM 392 CE2 PHE A 25 -7.212 -10.660 3.395 1.00 0.00 C ATOM 393 CZ PHE A 25 -7.554 -9.837 4.451 1.00 0.00 C ATOM 0 H PHE A 25 -4.150 -9.669 -0.703 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.887 -7.682 0.631 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -3.794 -9.595 1.561 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.744 -8.000 2.286 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -5.327 -7.359 3.944 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.928 -10.941 1.716 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -7.140 -8.006 5.473 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.742 -11.588 3.239 1.00 0.00 H new ATOM 0 HZ PHE A 25 -8.351 -10.121 5.122 1.00 0.00 H new ATOM 403 N TYR A 26 -4.416 -5.747 0.216 1.00 0.00 N ATOM 404 CA TYR A 26 -3.625 -4.578 -0.145 1.00 0.00 C ATOM 405 C TYR A 26 -3.458 -3.655 1.051 1.00 0.00 C ATOM 406 O TYR A 26 -4.150 -3.795 2.057 1.00 0.00 O ATOM 407 CB TYR A 26 -4.277 -3.813 -1.294 1.00 0.00 C ATOM 408 CG TYR A 26 -4.328 -4.587 -2.591 1.00 0.00 C ATOM 409 CD1 TYR A 26 -3.387 -4.362 -3.586 1.00 0.00 C ATOM 410 CD2 TYR A 26 -5.310 -5.541 -2.818 1.00 0.00 C ATOM 411 CE1 TYR A 26 -3.426 -5.066 -4.774 1.00 0.00 C ATOM 412 CE2 TYR A 26 -5.355 -6.250 -4.002 1.00 0.00 C ATOM 413 CZ TYR A 26 -4.410 -6.008 -4.978 1.00 0.00 C ATOM 414 OH TYR A 26 -4.450 -6.712 -6.159 1.00 0.00 O ATOM 0 H TYR A 26 -5.333 -5.530 0.607 1.00 0.00 H new ATOM 0 HA TYR A 26 -2.644 -4.927 -0.467 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -5.292 -3.538 -1.006 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.729 -2.885 -1.457 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.613 -3.626 -3.429 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.051 -5.732 -2.056 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.688 -4.878 -5.540 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.125 -6.990 -4.163 1.00 0.00 H new ATOM 0 HH TYR A 26 -4.717 -7.638 -5.979 1.00 0.00 H new ATOM 424 N MET A 27 -2.538 -2.709 0.929 1.00 0.00 N ATOM 425 CA MET A 27 -2.272 -1.750 1.995 1.00 0.00 C ATOM 426 C MET A 27 -2.245 -0.331 1.443 1.00 0.00 C ATOM 427 O MET A 27 -1.854 -0.113 0.295 1.00 0.00 O ATOM 428 CB MET A 27 -0.939 -2.067 2.675 1.00 0.00 C ATOM 429 CG MET A 27 -1.073 -2.984 3.878 1.00 0.00 C ATOM 430 SD MET A 27 -0.398 -4.629 3.582 1.00 0.00 S ATOM 431 CE MET A 27 0.942 -4.664 4.769 1.00 0.00 C ATOM 0 H MET A 27 -1.960 -2.584 0.098 1.00 0.00 H new ATOM 0 HA MET A 27 -3.073 -1.826 2.730 1.00 0.00 H new ATOM 0 HB2 MET A 27 -0.271 -2.530 1.948 1.00 0.00 H new ATOM 0 HB3 MET A 27 -0.471 -1.135 2.990 1.00 0.00 H new ATOM 0 HG2 MET A 27 -0.563 -2.535 4.730 1.00 0.00 H new ATOM 0 HG3 MET A 27 -2.126 -3.071 4.147 1.00 0.00 H new ATOM 0 HE1 MET A 27 1.413 -5.647 4.757 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.679 -3.905 4.508 1.00 0.00 H new ATOM 0 HE3 MET A 27 0.550 -4.461 5.766 1.00 0.00 H new ATOM 441 N ILE A 28 -2.661 0.634 2.258 1.00 0.00 N ATOM 442 CA ILE A 28 -2.672 2.028 1.819 1.00 0.00 C ATOM 443 C ILE A 28 -1.253 2.591 1.725 1.00 0.00 C ATOM 444 O ILE A 28 -0.504 2.611 2.709 1.00 0.00 O ATOM 445 CB ILE A 28 -3.521 2.920 2.745 1.00 0.00 C ATOM 446 CG1 ILE A 28 -4.906 2.304 2.953 1.00 0.00 C ATOM 447 CG2 ILE A 28 -3.649 4.317 2.152 1.00 0.00 C ATOM 448 CD1 ILE A 28 -5.852 3.184 3.742 1.00 0.00 C ATOM 0 H ILE A 28 -2.990 0.482 3.211 1.00 0.00 H new ATOM 0 HA ILE A 28 -3.125 2.036 0.828 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.025 2.993 3.713 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.349 2.091 1.980 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -4.796 1.350 3.469 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.251 4.940 2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.658 4.757 2.041 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.130 4.255 1.176 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.813 2.681 3.849 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.432 3.377 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.993 4.129 3.217 1.00 0.00 H new ATOM 460 N GLY A 29 -0.891 3.047 0.526 1.00 0.00 N ATOM 461 CA GLY A 29 0.435 3.596 0.304 1.00 0.00 C ATOM 462 C GLY A 29 0.773 4.716 1.262 1.00 0.00 C ATOM 463 O GLY A 29 1.926 4.870 1.661 1.00 0.00 O ATOM 0 H GLY A 29 -1.495 3.045 -0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.174 2.801 0.406 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.504 3.966 -0.719 1.00 0.00 H new ATOM 467 N SER A 30 -0.233 5.493 1.648 1.00 0.00 N ATOM 468 CA SER A 30 -0.021 6.588 2.583 1.00 0.00 C ATOM 469 C SER A 30 0.528 6.046 3.897 1.00 0.00 C ATOM 470 O SER A 30 1.431 6.632 4.504 1.00 0.00 O ATOM 471 CB SER A 30 -1.330 7.343 2.829 1.00 0.00 C ATOM 472 OG SER A 30 -1.428 8.480 1.990 1.00 0.00 O ATOM 0 H SER A 30 -1.196 5.385 1.330 1.00 0.00 H new ATOM 0 HA SER A 30 0.702 7.282 2.154 1.00 0.00 H new ATOM 0 HB2 SER A 30 -2.176 6.680 2.648 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.385 7.652 3.873 1.00 0.00 H new ATOM 0 HG SER A 30 -2.273 8.944 2.165 1.00 0.00 H new ATOM 478 N GLU A 31 -0.012 4.907 4.322 1.00 0.00 N ATOM 479 CA GLU A 31 0.433 4.272 5.552 1.00 0.00 C ATOM 480 C GLU A 31 1.866 3.792 5.391 1.00 0.00 C ATOM 481 O GLU A 31 2.711 4.006 6.262 1.00 0.00 O ATOM 482 CB GLU A 31 -0.482 3.106 5.917 1.00 0.00 C ATOM 483 CG GLU A 31 -1.798 3.538 6.544 1.00 0.00 C ATOM 484 CD GLU A 31 -1.807 3.372 8.050 1.00 0.00 C ATOM 485 OE1 GLU A 31 -1.664 2.223 8.520 1.00 0.00 O ATOM 486 OE2 GLU A 31 -1.955 4.389 8.758 1.00 0.00 O ATOM 0 H GLU A 31 -0.755 4.409 3.833 1.00 0.00 H new ATOM 0 HA GLU A 31 0.391 5.002 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.691 2.524 5.019 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.042 2.447 6.610 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.989 4.582 6.296 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.611 2.954 6.113 1.00 0.00 H new ATOM 493 N VAL A 32 2.135 3.161 4.256 1.00 0.00 N ATOM 494 CA VAL A 32 3.473 2.670 3.958 1.00 0.00 C ATOM 495 C VAL A 32 4.464 3.827 3.931 1.00 0.00 C ATOM 496 O VAL A 32 5.589 3.718 4.427 1.00 0.00 O ATOM 497 CB VAL A 32 3.518 1.932 2.607 1.00 0.00 C ATOM 498 CG1 VAL A 32 4.870 1.266 2.407 1.00 0.00 C ATOM 499 CG2 VAL A 32 2.394 0.913 2.518 1.00 0.00 C ATOM 0 H VAL A 32 1.445 2.977 3.527 1.00 0.00 H new ATOM 0 HA VAL A 32 3.746 1.966 4.745 1.00 0.00 H new ATOM 0 HB VAL A 32 3.378 2.662 1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.883 0.750 1.447 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.654 2.023 2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.044 0.547 3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.442 0.402 1.557 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.499 0.185 3.322 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.434 1.421 2.611 1.00 0.00 H new ATOM 509 N GLY A 33 4.027 4.942 3.354 1.00 0.00 N ATOM 510 CA GLY A 33 4.873 6.115 3.270 1.00 0.00 C ATOM 511 C GLY A 33 5.316 6.591 4.637 1.00 0.00 C ATOM 512 O GLY A 33 6.505 6.798 4.868 1.00 0.00 O ATOM 0 H GLY A 33 3.100 5.053 2.943 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.749 5.888 2.663 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.334 6.916 2.764 1.00 0.00 H new ATOM 516 N ASN A 34 4.366 6.748 5.554 1.00 0.00 N ATOM 517 CA ASN A 34 4.699 7.183 6.905 1.00 0.00 C ATOM 518 C ASN A 34 5.598 6.151 7.583 1.00 0.00 C ATOM 519 O ASN A 34 6.462 6.494 8.389 1.00 0.00 O ATOM 520 CB ASN A 34 3.433 7.443 7.734 1.00 0.00 C ATOM 521 CG ASN A 34 2.658 6.183 8.072 1.00 0.00 C ATOM 522 OD1 ASN A 34 3.232 5.152 8.418 1.00 0.00 O ATOM 523 ND2 ASN A 34 1.336 6.265 7.985 1.00 0.00 N ATOM 0 H ASN A 34 3.373 6.583 5.389 1.00 0.00 H new ATOM 0 HA ASN A 34 5.243 8.125 6.838 1.00 0.00 H new ATOM 0 HB2 ASN A 34 3.712 7.947 8.659 1.00 0.00 H new ATOM 0 HB3 ASN A 34 2.782 8.123 7.184 1.00 0.00 H new ATOM 0 HD21 ASN A 34 0.759 5.454 8.209 1.00 0.00 H new ATOM 0 HD22 ASN A 34 0.897 7.139 7.694 1.00 0.00 H new ATOM 530 N TYR A 35 5.388 4.882 7.238 1.00 0.00 N ATOM 531 CA TYR A 35 6.172 3.783 7.796 1.00 0.00 C ATOM 532 C TYR A 35 7.654 3.966 7.478 1.00 0.00 C ATOM 533 O TYR A 35 8.515 3.782 8.336 1.00 0.00 O ATOM 534 CB TYR A 35 5.666 2.462 7.200 1.00 0.00 C ATOM 535 CG TYR A 35 5.997 1.226 8.006 1.00 0.00 C ATOM 536 CD1 TYR A 35 5.126 0.146 8.038 1.00 0.00 C ATOM 537 CD2 TYR A 35 7.177 1.132 8.722 1.00 0.00 C ATOM 538 CE1 TYR A 35 5.425 -0.991 8.765 1.00 0.00 C ATOM 539 CE2 TYR A 35 7.484 0.003 9.451 1.00 0.00 C ATOM 540 CZ TYR A 35 6.606 -1.057 9.470 1.00 0.00 C ATOM 541 OH TYR A 35 6.909 -2.187 10.195 1.00 0.00 O ATOM 0 H TYR A 35 4.676 4.589 6.569 1.00 0.00 H new ATOM 0 HA TYR A 35 6.056 3.770 8.880 1.00 0.00 H new ATOM 0 HB2 TYR A 35 4.584 2.524 7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 35 6.085 2.348 6.200 1.00 0.00 H new ATOM 0 HD1 TYR A 35 4.199 0.195 7.486 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.871 1.959 8.710 1.00 0.00 H new ATOM 0 HE1 TYR A 35 4.736 -1.823 8.780 1.00 0.00 H new ATOM 0 HE2 TYR A 35 8.410 -0.050 10.005 1.00 0.00 H new ATOM 0 HH TYR A 35 6.759 -2.014 11.148 1.00 0.00 H new ATOM 551 N LEU A 36 7.950 4.344 6.244 1.00 0.00 N ATOM 552 CA LEU A 36 9.335 4.554 5.835 1.00 0.00 C ATOM 553 C LEU A 36 9.706 6.038 5.841 1.00 0.00 C ATOM 554 O LEU A 36 10.832 6.405 5.505 1.00 0.00 O ATOM 555 CB LEU A 36 9.576 3.950 4.453 1.00 0.00 C ATOM 556 CG LEU A 36 9.220 2.465 4.340 1.00 0.00 C ATOM 557 CD1 LEU A 36 7.923 2.280 3.564 1.00 0.00 C ATOM 558 CD2 LEU A 36 10.353 1.691 3.681 1.00 0.00 C ATOM 0 H LEU A 36 7.259 4.511 5.513 1.00 0.00 H new ATOM 0 HA LEU A 36 9.976 4.051 6.559 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.993 4.507 3.720 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.626 4.080 4.191 1.00 0.00 H new ATOM 0 HG LEU A 36 9.075 2.071 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.688 1.218 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.114 2.798 4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.037 2.692 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.081 0.638 3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.532 2.088 2.682 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.259 1.792 4.279 1.00 0.00 H new ATOM 570 N ARG A 37 8.757 6.885 6.232 1.00 0.00 N ATOM 571 CA ARG A 37 8.985 8.325 6.292 1.00 0.00 C ATOM 572 C ARG A 37 9.161 8.918 4.898 1.00 0.00 C ATOM 573 O ARG A 37 9.810 9.952 4.734 1.00 0.00 O ATOM 574 CB ARG A 37 10.208 8.642 7.154 1.00 0.00 C ATOM 575 CG ARG A 37 10.006 9.827 8.083 1.00 0.00 C ATOM 576 CD ARG A 37 8.916 9.553 9.108 1.00 0.00 C ATOM 577 NE ARG A 37 9.469 9.230 10.421 1.00 0.00 N ATOM 578 CZ ARG A 37 9.897 10.142 11.291 1.00 0.00 C ATOM 579 NH1 ARG A 37 9.841 11.435 10.990 1.00 0.00 N ATOM 580 NH2 ARG A 37 10.381 9.762 12.465 1.00 0.00 N ATOM 0 H ARG A 37 7.820 6.597 6.513 1.00 0.00 H new ATOM 0 HA ARG A 37 8.104 8.779 6.747 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.461 7.764 7.748 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.059 8.842 6.503 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.941 10.052 8.596 1.00 0.00 H new ATOM 0 HG3 ARG A 37 9.743 10.708 7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 37 8.269 10.426 9.192 1.00 0.00 H new ATOM 0 HD3 ARG A 37 8.294 8.727 8.764 1.00 0.00 H new ATOM 0 HE ARG A 37 9.531 8.247 10.687 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.469 11.733 10.088 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.170 12.129 11.661 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.425 8.771 12.702 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.709 10.461 13.132 1.00 0.00 H new ATOM 594 N MET A 38 8.573 8.271 3.897 1.00 0.00 N ATOM 595 CA MET A 38 8.667 8.758 2.527 1.00 0.00 C ATOM 596 C MET A 38 7.387 9.485 2.137 1.00 0.00 C ATOM 597 O MET A 38 6.289 8.942 2.263 1.00 0.00 O ATOM 598 CB MET A 38 8.924 7.595 1.565 1.00 0.00 C ATOM 599 CG MET A 38 10.354 7.080 1.602 1.00 0.00 C ATOM 600 SD MET A 38 10.483 5.351 1.105 1.00 0.00 S ATOM 601 CE MET A 38 12.084 5.349 0.302 1.00 0.00 C ATOM 0 H MET A 38 8.030 7.414 4.008 1.00 0.00 H new ATOM 0 HA MET A 38 9.502 9.456 2.464 1.00 0.00 H new ATOM 0 HB2 MET A 38 8.246 6.777 1.807 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.688 7.915 0.550 1.00 0.00 H new ATOM 0 HG2 MET A 38 10.973 7.690 0.944 1.00 0.00 H new ATOM 0 HG3 MET A 38 10.751 7.195 2.610 1.00 0.00 H new ATOM 0 HE1 MET A 38 12.246 4.387 -0.184 1.00 0.00 H new ATOM 0 HE2 MET A 38 12.118 6.143 -0.444 1.00 0.00 H new ATOM 0 HE3 MET A 38 12.864 5.516 1.045 1.00 0.00 H new ATOM 611 N PHE A 39 7.534 10.720 1.672 1.00 0.00 N ATOM 612 CA PHE A 39 6.387 11.527 1.272 1.00 0.00 C ATOM 613 C PHE A 39 6.561 12.063 -0.145 1.00 0.00 C ATOM 614 O PHE A 39 7.611 11.883 -0.762 1.00 0.00 O ATOM 615 CB PHE A 39 6.186 12.682 2.260 1.00 0.00 C ATOM 616 CG PHE A 39 6.497 12.307 3.684 1.00 0.00 C ATOM 617 CD1 PHE A 39 5.491 11.893 4.544 1.00 0.00 C ATOM 618 CD2 PHE A 39 7.798 12.364 4.159 1.00 0.00 C ATOM 619 CE1 PHE A 39 5.777 11.542 5.849 1.00 0.00 C ATOM 620 CE2 PHE A 39 8.090 12.015 5.464 1.00 0.00 C ATOM 621 CZ PHE A 39 7.079 11.603 6.310 1.00 0.00 C ATOM 0 H PHE A 39 8.436 11.184 1.563 1.00 0.00 H new ATOM 0 HA PHE A 39 5.501 10.892 1.284 1.00 0.00 H new ATOM 0 HB2 PHE A 39 6.820 13.518 1.965 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.154 13.028 2.199 1.00 0.00 H new ATOM 0 HD1 PHE A 39 4.472 11.844 4.189 1.00 0.00 H new ATOM 0 HD2 PHE A 39 8.593 12.685 3.502 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.984 11.220 6.508 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.108 12.064 5.822 1.00 0.00 H new ATOM 0 HZ PHE A 39 7.305 11.329 7.330 1.00 0.00 H new ATOM 631 N ARG A 40 5.526 12.724 -0.655 1.00 0.00 N ATOM 632 CA ARG A 40 5.566 13.288 -2.000 1.00 0.00 C ATOM 633 C ARG A 40 5.907 12.217 -3.032 1.00 0.00 C ATOM 634 O ARG A 40 6.613 12.481 -4.005 1.00 0.00 O ATOM 635 CB ARG A 40 6.590 14.423 -2.070 1.00 0.00 C ATOM 636 CG ARG A 40 6.472 15.421 -0.930 1.00 0.00 C ATOM 637 CD ARG A 40 7.812 16.066 -0.613 1.00 0.00 C ATOM 638 NE ARG A 40 8.429 15.490 0.580 1.00 0.00 N ATOM 639 CZ ARG A 40 8.085 15.816 1.823 1.00 0.00 C ATOM 640 NH1 ARG A 40 7.130 16.712 2.042 1.00 0.00 N ATOM 641 NH2 ARG A 40 8.698 15.245 2.852 1.00 0.00 N ATOM 0 H ARG A 40 4.650 12.882 -0.157 1.00 0.00 H new ATOM 0 HA ARG A 40 4.577 13.684 -2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 40 7.593 13.997 -2.066 1.00 0.00 H new ATOM 0 HB3 ARG A 40 6.471 14.950 -3.017 1.00 0.00 H new ATOM 0 HG2 ARG A 40 5.749 16.193 -1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 40 6.090 14.917 -0.042 1.00 0.00 H new ATOM 0 HD2 ARG A 40 8.483 15.944 -1.463 1.00 0.00 H new ATOM 0 HD3 ARG A 40 7.673 17.137 -0.468 1.00 0.00 H new ATOM 0 HE ARG A 40 9.167 14.797 0.452 1.00 0.00 H new ATOM 0 HH11 ARG A 40 6.656 17.155 1.255 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.871 16.958 2.997 1.00 0.00 H new ATOM 0 HH21 ARG A 40 9.433 14.556 2.690 1.00 0.00 H new ATOM 0 HH22 ARG A 40 8.434 15.495 3.805 1.00 0.00 H new ATOM 655 N GLY A 41 5.402 11.008 -2.811 1.00 0.00 N ATOM 656 CA GLY A 41 5.668 9.916 -3.729 1.00 0.00 C ATOM 657 C GLY A 41 7.094 9.411 -3.632 1.00 0.00 C ATOM 658 O GLY A 41 7.609 8.805 -4.572 1.00 0.00 O ATOM 0 H GLY A 41 4.814 10.765 -2.014 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.981 9.096 -3.522 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.472 10.247 -4.749 1.00 0.00 H new ATOM 662 N SER A 42 7.733 9.657 -2.492 1.00 0.00 N ATOM 663 CA SER A 42 9.108 9.220 -2.276 1.00 0.00 C ATOM 664 C SER A 42 9.195 7.698 -2.247 1.00 0.00 C ATOM 665 O SER A 42 10.186 7.113 -2.685 1.00 0.00 O ATOM 666 CB SER A 42 9.650 9.799 -0.967 1.00 0.00 C ATOM 667 OG SER A 42 10.362 11.003 -1.197 1.00 0.00 O ATOM 0 H SER A 42 7.321 10.156 -1.704 1.00 0.00 H new ATOM 0 HA SER A 42 9.714 9.586 -3.105 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.825 9.987 -0.280 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.305 9.071 -0.488 1.00 0.00 H new ATOM 0 HG SER A 42 9.745 11.763 -1.147 1.00 0.00 H new ATOM 673 N LEU A 43 8.150 7.061 -1.728 1.00 0.00 N ATOM 674 CA LEU A 43 8.108 5.606 -1.641 1.00 0.00 C ATOM 675 C LEU A 43 8.091 4.979 -3.031 1.00 0.00 C ATOM 676 O LEU A 43 8.900 4.104 -3.337 1.00 0.00 O ATOM 677 CB LEU A 43 6.874 5.159 -0.853 1.00 0.00 C ATOM 678 CG LEU A 43 6.681 3.643 -0.755 1.00 0.00 C ATOM 679 CD1 LEU A 43 7.238 3.118 0.558 1.00 0.00 C ATOM 680 CD2 LEU A 43 5.208 3.284 -0.892 1.00 0.00 C ATOM 0 H LEU A 43 7.321 7.530 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 43 9.006 5.271 -1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.938 5.568 0.155 1.00 0.00 H new ATOM 0 HB3 LEU A 43 5.989 5.593 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 43 7.228 3.173 -1.572 1.00 0.00 H new ATOM 0 HD11 LEU A 43 7.092 2.039 0.610 1.00 0.00 H new ATOM 0 HD12 LEU A 43 8.303 3.343 0.617 1.00 0.00 H new ATOM 0 HD13 LEU A 43 6.719 3.595 1.390 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.089 2.203 -0.820 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.641 3.765 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 43 4.838 3.626 -1.859 1.00 0.00 H new ATOM 692 N TYR A 44 7.165 5.433 -3.869 1.00 0.00 N ATOM 693 CA TYR A 44 7.043 4.915 -5.226 1.00 0.00 C ATOM 694 C TYR A 44 8.279 5.257 -6.055 1.00 0.00 C ATOM 695 O TYR A 44 8.731 4.456 -6.872 1.00 0.00 O ATOM 696 CB TYR A 44 5.791 5.478 -5.899 1.00 0.00 C ATOM 697 CG TYR A 44 4.516 5.176 -5.144 1.00 0.00 C ATOM 698 CD1 TYR A 44 4.184 3.872 -4.798 1.00 0.00 C ATOM 699 CD2 TYR A 44 3.645 6.194 -4.777 1.00 0.00 C ATOM 700 CE1 TYR A 44 3.021 3.591 -4.105 1.00 0.00 C ATOM 701 CE2 TYR A 44 2.480 5.921 -4.085 1.00 0.00 C ATOM 702 CZ TYR A 44 2.173 4.619 -3.753 1.00 0.00 C ATOM 703 OH TYR A 44 1.015 4.343 -3.063 1.00 0.00 O ATOM 0 H TYR A 44 6.488 6.158 -3.632 1.00 0.00 H new ATOM 0 HA TYR A 44 6.958 3.830 -5.166 1.00 0.00 H new ATOM 0 HB2 TYR A 44 5.897 6.558 -6.001 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.714 5.069 -6.906 1.00 0.00 H new ATOM 0 HD1 TYR A 44 4.845 3.064 -5.075 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.882 7.215 -5.037 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.779 2.572 -3.841 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.814 6.724 -3.806 1.00 0.00 H new ATOM 0 HH TYR A 44 0.767 5.118 -2.517 1.00 0.00 H new ATOM 713 N LYS A 45 8.821 6.450 -5.835 1.00 0.00 N ATOM 714 CA LYS A 45 10.006 6.894 -6.560 1.00 0.00 C ATOM 715 C LYS A 45 11.217 6.042 -6.195 1.00 0.00 C ATOM 716 O LYS A 45 12.081 5.784 -7.032 1.00 0.00 O ATOM 717 CB LYS A 45 10.291 8.366 -6.257 1.00 0.00 C ATOM 718 CG LYS A 45 9.517 9.331 -7.142 1.00 0.00 C ATOM 719 CD LYS A 45 10.202 10.685 -7.223 1.00 0.00 C ATOM 720 CE LYS A 45 10.108 11.274 -8.622 1.00 0.00 C ATOM 721 NZ LYS A 45 8.774 11.878 -8.883 1.00 0.00 N ATOM 0 H LYS A 45 8.460 7.126 -5.162 1.00 0.00 H new ATOM 0 HA LYS A 45 9.814 6.781 -7.627 1.00 0.00 H new ATOM 0 HB2 LYS A 45 10.047 8.567 -5.214 1.00 0.00 H new ATOM 0 HB3 LYS A 45 11.358 8.553 -6.377 1.00 0.00 H new ATOM 0 HG2 LYS A 45 9.421 8.911 -8.143 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.508 9.456 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 45 9.745 11.369 -6.508 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.250 10.582 -6.940 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.881 12.032 -8.749 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.303 10.494 -9.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.752 12.268 -9.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 8.038 11.149 -8.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.598 12.640 -8.197 1.00 0.00 H new ATOM 735 N ARG A 46 11.269 5.607 -4.941 1.00 0.00 N ATOM 736 CA ARG A 46 12.373 4.780 -4.463 1.00 0.00 C ATOM 737 C ARG A 46 12.051 3.292 -4.604 1.00 0.00 C ATOM 738 O ARG A 46 12.931 2.444 -4.456 1.00 0.00 O ATOM 739 CB ARG A 46 12.685 5.107 -3.002 1.00 0.00 C ATOM 740 CG ARG A 46 13.924 4.403 -2.473 1.00 0.00 C ATOM 741 CD ARG A 46 15.014 5.395 -2.097 1.00 0.00 C ATOM 742 NE ARG A 46 15.890 4.876 -1.050 1.00 0.00 N ATOM 743 CZ ARG A 46 16.800 3.925 -1.248 1.00 0.00 C ATOM 744 NH1 ARG A 46 16.957 3.388 -2.451 1.00 0.00 N ATOM 745 NH2 ARG A 46 17.556 3.511 -0.241 1.00 0.00 N ATOM 0 H ARG A 46 10.560 5.813 -4.237 1.00 0.00 H new ATOM 0 HA ARG A 46 13.247 5.001 -5.076 1.00 0.00 H new ATOM 0 HB2 ARG A 46 12.818 6.184 -2.900 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.829 4.831 -2.386 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.659 3.805 -1.601 1.00 0.00 H new ATOM 0 HG3 ARG A 46 14.303 3.715 -3.229 1.00 0.00 H new ATOM 0 HD2 ARG A 46 15.607 5.634 -2.980 1.00 0.00 H new ATOM 0 HD3 ARG A 46 14.557 6.325 -1.759 1.00 0.00 H new ATOM 0 HE ARG A 46 15.799 5.265 -0.112 1.00 0.00 H new ATOM 0 HH11 ARG A 46 16.379 3.704 -3.230 1.00 0.00 H new ATOM 0 HH12 ARG A 46 17.656 2.660 -2.597 1.00 0.00 H new ATOM 0 HH21 ARG A 46 17.440 3.921 0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 46 18.253 2.782 -0.393 1.00 0.00 H new ATOM 759 N TYR A 47 10.790 2.980 -4.890 1.00 0.00 N ATOM 760 CA TYR A 47 10.361 1.594 -5.048 1.00 0.00 C ATOM 761 C TYR A 47 9.510 1.428 -6.310 1.00 0.00 C ATOM 762 O TYR A 47 8.314 1.144 -6.229 1.00 0.00 O ATOM 763 CB TYR A 47 9.562 1.148 -3.822 1.00 0.00 C ATOM 764 CG TYR A 47 10.407 0.906 -2.590 1.00 0.00 C ATOM 765 CD1 TYR A 47 10.654 1.922 -1.676 1.00 0.00 C ATOM 766 CD2 TYR A 47 10.949 -0.345 -2.342 1.00 0.00 C ATOM 767 CE1 TYR A 47 11.419 1.694 -0.547 1.00 0.00 C ATOM 768 CE2 TYR A 47 11.715 -0.583 -1.219 1.00 0.00 C ATOM 769 CZ TYR A 47 11.947 0.439 -0.324 1.00 0.00 C ATOM 770 OH TYR A 47 12.708 0.205 0.798 1.00 0.00 O ATOM 0 H TYR A 47 10.048 3.668 -5.017 1.00 0.00 H new ATOM 0 HA TYR A 47 11.250 0.971 -5.145 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.814 1.907 -3.593 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.023 0.232 -4.066 1.00 0.00 H new ATOM 0 HD1 TYR A 47 10.242 2.905 -1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.769 -1.149 -3.041 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.602 2.493 0.156 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.130 -1.564 -1.043 1.00 0.00 H new ATOM 0 HH TYR A 47 12.670 -0.747 1.026 1.00 0.00 H new ATOM 780 N PRO A 48 10.115 1.606 -7.498 1.00 0.00 N ATOM 781 CA PRO A 48 9.400 1.481 -8.774 1.00 0.00 C ATOM 782 C PRO A 48 8.850 0.077 -9.009 1.00 0.00 C ATOM 783 O PRO A 48 7.806 -0.087 -9.642 1.00 0.00 O ATOM 784 CB PRO A 48 10.462 1.817 -9.828 1.00 0.00 C ATOM 785 CG PRO A 48 11.553 2.513 -9.085 1.00 0.00 C ATOM 786 CD PRO A 48 11.531 1.950 -7.694 1.00 0.00 C ATOM 0 HA PRO A 48 8.529 2.136 -8.804 1.00 0.00 H new ATOM 0 HB2 PRO A 48 10.832 0.914 -10.314 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.051 2.455 -10.610 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.519 2.342 -9.560 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.390 3.591 -9.072 1.00 0.00 H new ATOM 0 HD2 PRO A 48 12.175 1.075 -7.603 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.875 2.677 -6.959 1.00 0.00 H new ATOM 794 N SER A 49 9.551 -0.934 -8.502 1.00 0.00 N ATOM 795 CA SER A 49 9.114 -2.318 -8.672 1.00 0.00 C ATOM 796 C SER A 49 7.955 -2.662 -7.735 1.00 0.00 C ATOM 797 O SER A 49 7.444 -3.783 -7.757 1.00 0.00 O ATOM 798 CB SER A 49 10.282 -3.277 -8.434 1.00 0.00 C ATOM 799 OG SER A 49 10.708 -3.874 -9.646 1.00 0.00 O ATOM 0 H SER A 49 10.417 -0.823 -7.974 1.00 0.00 H new ATOM 0 HA SER A 49 8.761 -2.429 -9.697 1.00 0.00 H new ATOM 0 HB2 SER A 49 11.113 -2.737 -7.979 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.982 -4.052 -7.729 1.00 0.00 H new ATOM 0 HG SER A 49 11.214 -4.690 -9.449 1.00 0.00 H new ATOM 805 N LEU A 50 7.543 -1.702 -6.910 1.00 0.00 N ATOM 806 CA LEU A 50 6.446 -1.920 -5.974 1.00 0.00 C ATOM 807 C LEU A 50 5.096 -1.737 -6.662 1.00 0.00 C ATOM 808 O LEU A 50 4.883 -0.761 -7.381 1.00 0.00 O ATOM 809 CB LEU A 50 6.567 -0.954 -4.797 1.00 0.00 C ATOM 810 CG LEU A 50 6.253 -1.551 -3.426 1.00 0.00 C ATOM 811 CD1 LEU A 50 7.350 -2.512 -3.000 1.00 0.00 C ATOM 812 CD2 LEU A 50 6.081 -0.445 -2.397 1.00 0.00 C ATOM 0 H LEU A 50 7.952 -0.768 -6.872 1.00 0.00 H new ATOM 0 HA LEU A 50 6.506 -2.945 -5.608 1.00 0.00 H new ATOM 0 HB2 LEU A 50 7.582 -0.556 -4.778 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.898 -0.111 -4.970 1.00 0.00 H new ATOM 0 HG LEU A 50 5.319 -2.108 -3.495 1.00 0.00 H new ATOM 0 HD11 LEU A 50 7.110 -2.928 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.429 -3.320 -3.728 1.00 0.00 H new ATOM 0 HD13 LEU A 50 8.299 -1.979 -2.945 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.858 -0.884 -1.425 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.001 0.136 -2.330 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.261 0.207 -2.697 1.00 0.00 H new ATOM 824 N TRP A 51 4.187 -2.681 -6.437 1.00 0.00 N ATOM 825 CA TRP A 51 2.859 -2.620 -7.037 1.00 0.00 C ATOM 826 C TRP A 51 2.033 -1.493 -6.420 1.00 0.00 C ATOM 827 O TRP A 51 1.813 -1.465 -5.209 1.00 0.00 O ATOM 828 CB TRP A 51 2.128 -3.953 -6.857 1.00 0.00 C ATOM 829 CG TRP A 51 0.781 -3.979 -7.514 1.00 0.00 C ATOM 830 CD1 TRP A 51 0.470 -4.500 -8.737 1.00 0.00 C ATOM 831 CD2 TRP A 51 -0.435 -3.458 -6.979 1.00 0.00 C ATOM 832 NE1 TRP A 51 -0.871 -4.331 -8.993 1.00 0.00 N ATOM 833 CE2 TRP A 51 -1.448 -3.692 -7.925 1.00 0.00 C ATOM 834 CE3 TRP A 51 -0.763 -2.814 -5.785 1.00 0.00 C ATOM 835 CZ2 TRP A 51 -2.768 -3.304 -7.712 1.00 0.00 C ATOM 836 CZ3 TRP A 51 -2.070 -2.430 -5.570 1.00 0.00 C ATOM 837 CH2 TRP A 51 -3.060 -2.675 -6.531 1.00 0.00 C ATOM 0 H TRP A 51 4.346 -3.496 -5.844 1.00 0.00 H new ATOM 0 HA TRP A 51 2.982 -2.421 -8.102 1.00 0.00 H new ATOM 0 HB2 TRP A 51 2.741 -4.755 -7.268 1.00 0.00 H new ATOM 0 HB3 TRP A 51 2.010 -4.155 -5.792 1.00 0.00 H new ATOM 0 HD1 TRP A 51 1.173 -4.975 -9.405 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.357 -4.631 -9.838 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -0.005 -2.619 -5.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -3.533 -3.492 -8.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -2.334 -1.933 -4.648 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -4.075 -2.361 -6.336 1.00 0.00 H new ATOM 848 N ARG A 52 1.575 -0.568 -7.260 1.00 0.00 N ATOM 849 CA ARG A 52 0.767 0.557 -6.796 1.00 0.00 C ATOM 850 C ARG A 52 -0.373 0.846 -7.769 1.00 0.00 C ATOM 851 O ARG A 52 -0.186 0.804 -8.984 1.00 0.00 O ATOM 852 CB ARG A 52 1.638 1.804 -6.629 1.00 0.00 C ATOM 853 CG ARG A 52 2.371 2.209 -7.899 1.00 0.00 C ATOM 854 CD ARG A 52 1.675 3.365 -8.602 1.00 0.00 C ATOM 855 NE ARG A 52 2.621 4.393 -9.031 1.00 0.00 N ATOM 856 CZ ARG A 52 2.348 5.316 -9.950 1.00 0.00 C ATOM 857 NH1 ARG A 52 1.159 5.342 -10.540 1.00 0.00 N ATOM 858 NH2 ARG A 52 3.265 6.213 -10.282 1.00 0.00 N ATOM 0 H ARG A 52 1.749 -0.575 -8.265 1.00 0.00 H new ATOM 0 HA ARG A 52 0.338 0.290 -5.830 1.00 0.00 H new ATOM 0 HB2 ARG A 52 1.011 2.633 -6.301 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.368 1.624 -5.840 1.00 0.00 H new ATOM 0 HG2 ARG A 52 3.394 2.494 -7.654 1.00 0.00 H new ATOM 0 HG3 ARG A 52 2.431 1.355 -8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 52 1.131 2.988 -9.468 1.00 0.00 H new ATOM 0 HD3 ARG A 52 0.939 3.807 -7.931 1.00 0.00 H new ATOM 0 HE ARG A 52 3.546 4.404 -8.600 1.00 0.00 H new ATOM 0 HH11 ARG A 52 0.450 4.653 -10.289 1.00 0.00 H new ATOM 0 HH12 ARG A 52 0.954 6.051 -11.244 1.00 0.00 H new ATOM 0 HH21 ARG A 52 4.181 6.196 -9.833 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.055 6.920 -10.986 1.00 0.00 H new ATOM 872 N ARG A 53 -1.555 1.137 -7.230 1.00 0.00 N ATOM 873 CA ARG A 53 -2.718 1.428 -8.063 1.00 0.00 C ATOM 874 C ARG A 53 -3.698 2.360 -7.364 1.00 0.00 C ATOM 875 O ARG A 53 -3.621 2.574 -6.154 1.00 0.00 O ATOM 876 CB ARG A 53 -3.437 0.137 -8.442 1.00 0.00 C ATOM 877 CG ARG A 53 -2.781 -0.595 -9.593 1.00 0.00 C ATOM 878 CD ARG A 53 -3.809 -1.254 -10.501 1.00 0.00 C ATOM 879 NE ARG A 53 -4.795 -2.027 -9.748 1.00 0.00 N ATOM 880 CZ ARG A 53 -5.568 -2.965 -10.289 1.00 0.00 C ATOM 881 NH1 ARG A 53 -5.475 -3.248 -11.583 1.00 0.00 N ATOM 882 NH2 ARG A 53 -6.439 -3.622 -9.535 1.00 0.00 N ATOM 0 H ARG A 53 -1.732 1.177 -6.226 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.352 1.926 -8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.471 -0.521 -7.574 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.469 0.368 -8.707 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -2.179 0.104 -10.173 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.102 -1.353 -9.202 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.319 -0.488 -11.085 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.300 -1.908 -11.209 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.896 -1.836 -8.751 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.808 -2.745 -12.168 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.071 -3.968 -11.992 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.516 -3.408 -8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -7.032 -4.341 -9.949 1.00 0.00 H new ATOM 896 N LEU A 54 -4.627 2.898 -8.144 1.00 0.00 N ATOM 897 CA LEU A 54 -5.646 3.798 -7.619 1.00 0.00 C ATOM 898 C LEU A 54 -6.891 3.016 -7.217 1.00 0.00 C ATOM 899 O LEU A 54 -7.187 1.966 -7.789 1.00 0.00 O ATOM 900 CB LEU A 54 -6.007 4.860 -8.658 1.00 0.00 C ATOM 901 CG LEU A 54 -5.133 6.112 -8.626 1.00 0.00 C ATOM 902 CD1 LEU A 54 -4.483 6.353 -9.979 1.00 0.00 C ATOM 903 CD2 LEU A 54 -5.948 7.325 -8.201 1.00 0.00 C ATOM 0 H LEU A 54 -4.696 2.726 -9.147 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.243 4.294 -6.736 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.942 4.414 -9.650 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.046 5.155 -8.509 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.343 5.954 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.866 7.250 -9.931 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.861 5.497 -10.241 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.256 6.485 -10.736 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.307 8.206 -8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.763 7.482 -8.908 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.359 7.157 -7.206 1.00 0.00 H new ATOM 915 N ALA A 55 -7.613 3.523 -6.223 1.00 0.00 N ATOM 916 CA ALA A 55 -8.818 2.858 -5.742 1.00 0.00 C ATOM 917 C ALA A 55 -10.041 3.202 -6.586 1.00 0.00 C ATOM 918 O ALA A 55 -10.421 4.366 -6.709 1.00 0.00 O ATOM 919 CB ALA A 55 -9.071 3.220 -4.288 1.00 0.00 C ATOM 0 H ALA A 55 -7.385 4.390 -5.736 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.652 1.784 -5.828 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -9.973 2.718 -3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.222 2.904 -3.681 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.199 4.299 -4.199 1.00 0.00 H new ATOM 925 N THR A 56 -10.668 2.170 -7.145 1.00 0.00 N ATOM 926 CA THR A 56 -11.867 2.341 -7.957 1.00 0.00 C ATOM 927 C THR A 56 -13.045 2.706 -7.063 1.00 0.00 C ATOM 928 O THR A 56 -12.930 2.668 -5.845 1.00 0.00 O ATOM 929 CB THR A 56 -12.180 1.053 -8.720 1.00 0.00 C ATOM 930 OG1 THR A 56 -12.755 0.088 -7.853 1.00 0.00 O ATOM 931 CG2 THR A 56 -10.962 0.425 -9.363 1.00 0.00 C ATOM 0 H THR A 56 -10.362 1.202 -7.049 1.00 0.00 H new ATOM 0 HA THR A 56 -11.694 3.142 -8.675 1.00 0.00 H new ATOM 0 HB THR A 56 -12.875 1.344 -9.508 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.951 -0.729 -8.357 1.00 0.00 H new ATOM 0 HG21 THR A 56 -11.256 -0.484 -9.887 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.522 1.127 -10.072 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.230 0.180 -8.593 1.00 0.00 H new ATOM 939 N VAL A 57 -14.177 3.059 -7.660 1.00 0.00 N ATOM 940 CA VAL A 57 -15.357 3.418 -6.878 1.00 0.00 C ATOM 941 C VAL A 57 -15.733 2.292 -5.915 1.00 0.00 C ATOM 942 O VAL A 57 -16.088 2.534 -4.758 1.00 0.00 O ATOM 943 CB VAL A 57 -16.562 3.732 -7.783 1.00 0.00 C ATOM 944 CG1 VAL A 57 -17.711 4.303 -6.967 1.00 0.00 C ATOM 945 CG2 VAL A 57 -16.160 4.690 -8.894 1.00 0.00 C ATOM 0 H VAL A 57 -14.304 3.105 -8.671 1.00 0.00 H new ATOM 0 HA VAL A 57 -15.103 4.313 -6.311 1.00 0.00 H new ATOM 0 HB VAL A 57 -16.900 2.802 -8.240 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -18.553 4.518 -7.625 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -18.016 3.578 -6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -17.388 5.222 -6.478 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -17.025 4.900 -9.524 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -15.794 5.619 -8.458 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -15.373 4.238 -9.498 1.00 0.00 H new ATOM 955 N GLU A 58 -15.640 1.058 -6.396 1.00 0.00 N ATOM 956 CA GLU A 58 -15.958 -0.103 -5.574 1.00 0.00 C ATOM 957 C GLU A 58 -14.900 -0.291 -4.492 1.00 0.00 C ATOM 958 O GLU A 58 -15.221 -0.492 -3.320 1.00 0.00 O ATOM 959 CB GLU A 58 -16.054 -1.359 -6.445 1.00 0.00 C ATOM 960 CG GLU A 58 -17.400 -2.060 -6.355 1.00 0.00 C ATOM 961 CD GLU A 58 -17.277 -3.569 -6.423 1.00 0.00 C ATOM 962 OE1 GLU A 58 -16.374 -4.122 -5.760 1.00 0.00 O ATOM 963 OE2 GLU A 58 -18.084 -4.200 -7.137 1.00 0.00 O ATOM 0 H GLU A 58 -15.348 0.836 -7.348 1.00 0.00 H new ATOM 0 HA GLU A 58 -16.922 0.064 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -15.864 -1.087 -7.483 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -15.270 -2.056 -6.150 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -17.889 -1.781 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -18.040 -1.714 -7.166 1.00 0.00 H new ATOM 970 N GLU A 59 -13.636 -0.219 -4.895 1.00 0.00 N ATOM 971 CA GLU A 59 -12.529 -0.377 -3.961 1.00 0.00 C ATOM 972 C GLU A 59 -12.576 0.687 -2.870 1.00 0.00 C ATOM 973 O GLU A 59 -12.400 0.386 -1.692 1.00 0.00 O ATOM 974 CB GLU A 59 -11.193 -0.303 -4.704 1.00 0.00 C ATOM 975 CG GLU A 59 -10.837 -1.581 -5.445 1.00 0.00 C ATOM 976 CD GLU A 59 -9.570 -1.444 -6.267 1.00 0.00 C ATOM 977 OE1 GLU A 59 -9.188 -0.297 -6.583 1.00 0.00 O ATOM 978 OE2 GLU A 59 -8.959 -2.483 -6.594 1.00 0.00 O ATOM 0 H GLU A 59 -13.354 -0.052 -5.861 1.00 0.00 H new ATOM 0 HA GLU A 59 -12.623 -1.356 -3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.228 0.522 -5.416 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.402 -0.075 -3.990 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.714 -2.391 -4.726 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.663 -1.859 -6.100 1.00 0.00 H new ATOM 985 N ARG A 60 -12.811 1.933 -3.270 1.00 0.00 N ATOM 986 CA ARG A 60 -12.875 3.041 -2.326 1.00 0.00 C ATOM 987 C ARG A 60 -13.996 2.827 -1.320 1.00 0.00 C ATOM 988 O ARG A 60 -13.794 3.002 -0.118 1.00 0.00 O ATOM 989 CB ARG A 60 -13.052 4.375 -3.065 1.00 0.00 C ATOM 990 CG ARG A 60 -14.443 4.590 -3.638 1.00 0.00 C ATOM 991 CD ARG A 60 -14.619 6.005 -4.167 1.00 0.00 C ATOM 992 NE ARG A 60 -15.656 6.735 -3.443 1.00 0.00 N ATOM 993 CZ ARG A 60 -16.266 7.821 -3.916 1.00 0.00 C ATOM 994 NH1 ARG A 60 -15.944 8.306 -5.109 1.00 0.00 N ATOM 995 NH2 ARG A 60 -17.200 8.423 -3.193 1.00 0.00 N ATOM 0 H ARG A 60 -12.960 2.200 -4.243 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.932 3.079 -1.780 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.824 5.191 -2.379 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.325 4.428 -3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -14.620 3.876 -4.442 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -15.189 4.394 -2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.674 6.542 -4.086 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.875 5.967 -5.226 1.00 0.00 H new ATOM 0 HE ARG A 60 -15.929 6.394 -2.521 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.226 7.847 -5.669 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -16.415 9.138 -5.465 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -17.451 8.055 -2.276 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.668 9.254 -3.554 1.00 0.00 H new ATOM 1009 N LYS A 61 -15.175 2.425 -1.799 1.00 0.00 N ATOM 1010 CA LYS A 61 -16.288 2.174 -0.894 1.00 0.00 C ATOM 1011 C LYS A 61 -15.865 1.119 0.118 1.00 0.00 C ATOM 1012 O LYS A 61 -16.180 1.211 1.304 1.00 0.00 O ATOM 1013 CB LYS A 61 -17.541 1.740 -1.676 1.00 0.00 C ATOM 1014 CG LYS A 61 -17.756 0.234 -1.755 1.00 0.00 C ATOM 1015 CD LYS A 61 -18.560 -0.147 -2.986 1.00 0.00 C ATOM 1016 CE LYS A 61 -20.055 -0.076 -2.719 1.00 0.00 C ATOM 1017 NZ LYS A 61 -20.551 -1.287 -2.010 1.00 0.00 N ATOM 0 H LYS A 61 -15.378 2.270 -2.787 1.00 0.00 H new ATOM 0 HA LYS A 61 -16.549 3.090 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -18.417 2.194 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -17.475 2.137 -2.689 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -16.791 -0.272 -1.778 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -18.274 -0.109 -0.859 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -18.304 0.520 -3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -18.293 -1.156 -3.298 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -20.275 0.809 -2.123 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -20.587 0.035 -3.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -21.574 -1.199 -1.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -20.364 -2.130 -2.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -20.062 -1.379 -1.097 1.00 0.00 H new ATOM 1031 N LYS A 62 -15.108 0.139 -0.363 1.00 0.00 N ATOM 1032 CA LYS A 62 -14.590 -0.912 0.492 1.00 0.00 C ATOM 1033 C LYS A 62 -13.548 -0.333 1.445 1.00 0.00 C ATOM 1034 O LYS A 62 -13.436 -0.757 2.594 1.00 0.00 O ATOM 1035 CB LYS A 62 -13.973 -2.031 -0.349 1.00 0.00 C ATOM 1036 CG LYS A 62 -15.004 -2.931 -1.012 1.00 0.00 C ATOM 1037 CD LYS A 62 -14.617 -3.267 -2.446 1.00 0.00 C ATOM 1038 CE LYS A 62 -14.611 -4.768 -2.686 1.00 0.00 C ATOM 1039 NZ LYS A 62 -13.939 -5.124 -3.966 1.00 0.00 N ATOM 0 H LYS A 62 -14.841 0.054 -1.344 1.00 0.00 H new ATOM 0 HA LYS A 62 -15.412 -1.332 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.340 -1.589 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.327 -2.638 0.286 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -15.107 -3.851 -0.437 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -15.977 -2.439 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.316 -2.791 -3.133 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.630 -2.859 -2.662 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.104 -5.266 -1.859 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.636 -5.137 -2.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.625 -5.574 -4.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -13.563 -4.263 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.158 -5.784 -3.776 1.00 0.00 H new ATOM 1053 N ILE A 63 -12.786 0.646 0.950 1.00 0.00 N ATOM 1054 CA ILE A 63 -11.754 1.290 1.752 1.00 0.00 C ATOM 1055 C ILE A 63 -12.362 2.175 2.833 1.00 0.00 C ATOM 1056 O ILE A 63 -11.743 2.402 3.867 1.00 0.00 O ATOM 1057 CB ILE A 63 -10.780 2.133 0.902 1.00 0.00 C ATOM 1058 CG1 ILE A 63 -10.068 1.249 -0.124 1.00 0.00 C ATOM 1059 CG2 ILE A 63 -9.759 2.825 1.801 1.00 0.00 C ATOM 1060 CD1 ILE A 63 -9.729 1.969 -1.412 1.00 0.00 C ATOM 0 H ILE A 63 -12.867 1.006 -0.001 1.00 0.00 H new ATOM 0 HA ILE A 63 -11.191 0.480 2.215 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.351 2.894 0.370 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.150 0.861 0.318 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -10.700 0.391 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.078 3.417 1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.276 3.478 2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.193 2.075 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -9.226 1.281 -2.092 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -10.645 2.334 -1.877 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.071 2.811 -1.196 1.00 0.00 H new ATOM 1072 N VAL A 64 -13.573 2.676 2.599 1.00 0.00 N ATOM 1073 CA VAL A 64 -14.229 3.529 3.585 1.00 0.00 C ATOM 1074 C VAL A 64 -14.422 2.761 4.887 1.00 0.00 C ATOM 1075 O VAL A 64 -14.038 3.226 5.960 1.00 0.00 O ATOM 1076 CB VAL A 64 -15.595 4.035 3.081 1.00 0.00 C ATOM 1077 CG1 VAL A 64 -16.254 4.929 4.121 1.00 0.00 C ATOM 1078 CG2 VAL A 64 -15.439 4.772 1.761 1.00 0.00 C ATOM 0 H VAL A 64 -14.112 2.509 1.749 1.00 0.00 H new ATOM 0 HA VAL A 64 -13.588 4.394 3.754 1.00 0.00 H new ATOM 0 HB VAL A 64 -16.240 3.172 2.916 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -17.217 5.275 3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -16.405 4.366 5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -15.613 5.787 4.322 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -16.414 5.121 1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -14.775 5.626 1.897 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -15.016 4.098 1.016 1.00 0.00 H new ATOM 1088 N ALA A 65 -14.992 1.566 4.777 1.00 0.00 N ATOM 1089 CA ALA A 65 -15.205 0.712 5.939 1.00 0.00 C ATOM 1090 C ALA A 65 -13.879 0.121 6.407 1.00 0.00 C ATOM 1091 O ALA A 65 -13.633 -0.034 7.603 1.00 0.00 O ATOM 1092 CB ALA A 65 -16.196 -0.395 5.608 1.00 0.00 C ATOM 0 H ALA A 65 -15.315 1.167 3.895 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.621 1.315 6.746 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -16.345 -1.024 6.485 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -17.148 0.046 5.312 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -15.806 -1.000 4.790 1.00 0.00 H new ATOM 1098 N SER A 66 -13.035 -0.207 5.435 1.00 0.00 N ATOM 1099 CA SER A 66 -11.720 -0.789 5.688 1.00 0.00 C ATOM 1100 C SER A 66 -10.710 0.266 6.138 1.00 0.00 C ATOM 1101 O SER A 66 -9.615 -0.070 6.580 1.00 0.00 O ATOM 1102 CB SER A 66 -11.205 -1.499 4.435 1.00 0.00 C ATOM 1103 OG SER A 66 -11.801 -2.778 4.293 1.00 0.00 O ATOM 0 H SER A 66 -13.244 -0.077 4.445 1.00 0.00 H new ATOM 0 HA SER A 66 -11.832 -1.512 6.496 1.00 0.00 H new ATOM 0 HB2 SER A 66 -11.422 -0.893 3.555 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.121 -1.603 4.491 1.00 0.00 H new ATOM 0 HG SER A 66 -11.457 -3.211 3.484 1.00 0.00 H new ATOM 1109 N SER A 67 -11.065 1.539 5.988 1.00 0.00 N ATOM 1110 CA SER A 67 -10.170 2.641 6.347 1.00 0.00 C ATOM 1111 C SER A 67 -9.654 2.533 7.783 1.00 0.00 C ATOM 1112 O SER A 67 -8.730 3.252 8.161 1.00 0.00 O ATOM 1113 CB SER A 67 -10.882 3.983 6.165 1.00 0.00 C ATOM 1114 OG SER A 67 -11.991 4.096 7.041 1.00 0.00 O ATOM 0 H SER A 67 -11.968 1.836 5.619 1.00 0.00 H new ATOM 0 HA SER A 67 -9.311 2.578 5.679 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.182 4.798 6.352 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.218 4.083 5.133 1.00 0.00 H new ATOM 0 HG SER A 67 -12.817 4.155 6.517 1.00 0.00 H new ATOM 1120 N HIS A 68 -10.242 1.641 8.580 1.00 0.00 N ATOM 1121 CA HIS A 68 -9.817 1.455 9.965 1.00 0.00 C ATOM 1122 C HIS A 68 -10.217 2.647 10.827 1.00 0.00 C ATOM 1123 O HIS A 68 -10.433 3.748 10.322 1.00 0.00 O ATOM 1124 CB HIS A 68 -8.299 1.244 10.041 1.00 0.00 C ATOM 1125 CG HIS A 68 -7.842 -0.069 9.489 1.00 0.00 C ATOM 1126 ND1 HIS A 68 -7.764 -0.328 8.138 1.00 0.00 N ATOM 1127 CD2 HIS A 68 -7.435 -1.201 10.110 1.00 0.00 C ATOM 1128 CE1 HIS A 68 -7.333 -1.562 7.950 1.00 0.00 C ATOM 1129 NE2 HIS A 68 -7.124 -2.113 9.131 1.00 0.00 N ATOM 0 H HIS A 68 -11.012 1.038 8.290 1.00 0.00 H new ATOM 0 HA HIS A 68 -10.319 0.567 10.349 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -7.802 2.048 9.498 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -7.983 1.320 11.081 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -8.002 0.332 7.397 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -7.367 -1.358 11.176 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -7.178 -2.039 6.993 1.00 0.00 H new ATOM 1138 N GLY A 69 -10.311 2.417 12.133 1.00 0.00 N ATOM 1139 CA GLY A 69 -10.682 3.478 13.049 1.00 0.00 C ATOM 1140 C GLY A 69 -10.093 3.286 14.433 1.00 0.00 C ATOM 1141 O GLY A 69 -10.601 3.830 15.413 1.00 0.00 O ATOM 0 H GLY A 69 -10.136 1.513 12.573 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.349 4.434 12.646 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.768 3.525 13.124 1.00 0.00 H new ATOM 1145 N LYS A 70 -9.017 2.508 14.516 1.00 0.00 N ATOM 1146 CA LYS A 70 -8.359 2.245 15.791 1.00 0.00 C ATOM 1147 C LYS A 70 -6.932 2.784 15.789 1.00 0.00 C ATOM 1148 O LYS A 70 -6.442 3.275 16.806 1.00 0.00 O ATOM 1149 CB LYS A 70 -8.351 0.742 16.084 1.00 0.00 C ATOM 1150 CG LYS A 70 -9.393 0.315 17.105 1.00 0.00 C ATOM 1151 CD LYS A 70 -10.803 0.465 16.557 1.00 0.00 C ATOM 1152 CE LYS A 70 -11.693 -0.689 16.991 1.00 0.00 C ATOM 1153 NZ LYS A 70 -12.005 -0.633 18.445 1.00 0.00 N ATOM 0 H LYS A 70 -8.583 2.049 13.715 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.919 2.757 16.573 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -8.521 0.198 15.155 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.363 0.456 16.444 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.221 -0.723 17.390 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.287 0.916 18.008 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -11.231 1.406 16.902 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.769 0.511 15.468 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.621 -0.667 16.420 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.200 -1.634 16.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.614 -1.437 18.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -11.122 -0.680 18.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -12.498 0.257 18.660 1.00 0.00 H new ATOM 1167 N LYS A 71 -6.271 2.690 14.641 1.00 0.00 N ATOM 1168 CA LYS A 71 -4.901 3.169 14.505 1.00 0.00 C ATOM 1169 C LYS A 71 -4.839 4.686 14.645 1.00 0.00 C ATOM 1170 O LYS A 71 -3.850 5.234 15.133 1.00 0.00 O ATOM 1171 CB LYS A 71 -4.321 2.745 13.154 1.00 0.00 C ATOM 1172 CG LYS A 71 -4.454 1.258 12.874 1.00 0.00 C ATOM 1173 CD LYS A 71 -3.421 0.451 13.642 1.00 0.00 C ATOM 1174 CE LYS A 71 -3.966 -0.908 14.052 1.00 0.00 C ATOM 1175 NZ LYS A 71 -2.883 -1.831 14.491 1.00 0.00 N ATOM 0 H LYS A 71 -6.662 2.286 13.790 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.306 2.724 15.303 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.822 3.301 12.362 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.267 3.020 13.118 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.455 0.924 13.147 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.338 1.076 11.806 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.532 0.317 13.026 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.113 1.003 14.530 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.685 -0.782 14.861 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.504 -1.352 13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.256 -2.800 14.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.102 -1.802 13.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.534 -1.537 15.425 1.00 0.00 H new ATOM 1189 N THR A 72 -5.901 5.358 14.215 1.00 0.00 N ATOM 1190 CA THR A 72 -5.969 6.813 14.292 1.00 0.00 C ATOM 1191 C THR A 72 -6.467 7.263 15.662 1.00 0.00 C ATOM 1192 O THR A 72 -7.097 6.492 16.388 1.00 0.00 O ATOM 1193 CB THR A 72 -6.888 7.360 13.198 1.00 0.00 C ATOM 1194 OG1 THR A 72 -6.455 6.931 11.920 1.00 0.00 O ATOM 1195 CG2 THR A 72 -6.957 8.872 13.175 1.00 0.00 C ATOM 0 H THR A 72 -6.727 4.918 13.809 1.00 0.00 H new ATOM 0 HA THR A 72 -4.964 7.207 14.143 1.00 0.00 H new ATOM 0 HB THR A 72 -7.879 6.971 13.431 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.056 7.289 11.234 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.625 9.194 12.376 1.00 0.00 H new ATOM 0 HG22 THR A 72 -7.334 9.234 14.132 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.961 9.279 13.001 1.00 0.00 H new ATOM 1203 N LYS A 73 -6.181 8.512 16.009 1.00 0.00 N ATOM 1204 CA LYS A 73 -6.601 9.065 17.293 1.00 0.00 C ATOM 1205 C LYS A 73 -7.449 10.321 17.093 1.00 0.00 C ATOM 1206 O LYS A 73 -6.962 11.331 16.583 1.00 0.00 O ATOM 1207 CB LYS A 73 -5.377 9.392 18.153 1.00 0.00 C ATOM 1208 CG LYS A 73 -5.029 8.304 19.155 1.00 0.00 C ATOM 1209 CD LYS A 73 -5.915 8.376 20.390 1.00 0.00 C ATOM 1210 CE LYS A 73 -6.960 7.271 20.394 1.00 0.00 C ATOM 1211 NZ LYS A 73 -6.339 5.918 20.439 1.00 0.00 N ATOM 0 H LYS A 73 -5.660 9.162 15.420 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.207 8.317 17.804 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -4.520 9.561 17.501 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.559 10.323 18.689 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.138 7.327 18.685 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -3.984 8.401 19.450 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.299 8.298 21.286 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.410 9.346 20.427 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.618 7.397 21.254 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.581 7.356 19.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.997 5.249 20.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -6.127 5.601 19.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -5.458 5.958 20.991 1.00 0.00 H new ATOM 1225 N PRO A 74 -8.734 10.281 17.493 1.00 0.00 N ATOM 1226 CA PRO A 74 -9.638 11.427 17.351 1.00 0.00 C ATOM 1227 C PRO A 74 -9.059 12.701 17.958 1.00 0.00 C ATOM 1228 O PRO A 74 -9.390 13.809 17.534 1.00 0.00 O ATOM 1229 CB PRO A 74 -10.890 10.993 18.115 1.00 0.00 C ATOM 1230 CG PRO A 74 -10.858 9.505 18.083 1.00 0.00 C ATOM 1231 CD PRO A 74 -9.405 9.122 18.113 1.00 0.00 C ATOM 0 HA PRO A 74 -9.825 11.669 16.305 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.878 11.367 19.139 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -11.794 11.379 17.645 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.390 9.085 18.936 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.344 9.123 17.185 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.055 8.952 19.131 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.220 8.204 17.555 1.00 0.00 H new ATOM 1239 N ASN A 75 -8.194 12.536 18.954 1.00 0.00 N ATOM 1240 CA ASN A 75 -7.569 13.673 19.620 1.00 0.00 C ATOM 1241 C ASN A 75 -6.764 14.512 18.631 1.00 0.00 C ATOM 1242 O ASN A 75 -6.946 15.725 18.540 1.00 0.00 O ATOM 1243 CB ASN A 75 -6.662 13.190 20.753 1.00 0.00 C ATOM 1244 CG ASN A 75 -6.663 14.137 21.937 1.00 0.00 C ATOM 1245 OD1 ASN A 75 -6.925 15.331 21.792 1.00 0.00 O ATOM 1246 ND2 ASN A 75 -6.370 13.607 23.119 1.00 0.00 N ATOM 0 H ASN A 75 -7.910 11.626 19.317 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.360 14.297 20.036 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -6.988 12.203 21.080 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -5.644 13.081 20.379 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -6.356 14.195 23.952 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -6.159 12.612 23.194 1.00 0.00 H new ATOM 1253 N THR A 76 -5.873 13.855 17.895 1.00 0.00 N ATOM 1254 CA THR A 76 -5.040 14.541 16.914 1.00 0.00 C ATOM 1255 C THR A 76 -5.896 15.219 15.847 1.00 0.00 C ATOM 1256 O THR A 76 -6.137 16.425 15.906 1.00 0.00 O ATOM 1257 CB THR A 76 -4.065 13.557 16.263 1.00 0.00 C ATOM 1258 OG1 THR A 76 -4.505 12.222 16.440 1.00 0.00 O ATOM 1259 CG2 THR A 76 -2.660 13.651 16.816 1.00 0.00 C ATOM 0 H THR A 76 -5.710 12.850 17.959 1.00 0.00 H new ATOM 0 HA THR A 76 -4.470 15.311 17.434 1.00 0.00 H new ATOM 0 HB THR A 76 -4.043 13.830 15.208 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.450 12.153 16.189 1.00 0.00 H new ATOM 0 HG21 THR A 76 -2.021 12.927 16.311 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.271 14.656 16.651 1.00 0.00 H new ATOM 0 HG23 THR A 76 -2.675 13.439 17.885 1.00 0.00 H new ATOM 1267 N LYS A 77 -6.350 14.437 14.876 1.00 0.00 N ATOM 1268 CA LYS A 77 -7.177 14.963 13.796 1.00 0.00 C ATOM 1269 C LYS A 77 -8.289 13.981 13.435 1.00 0.00 C ATOM 1270 O LYS A 77 -8.027 12.824 13.108 1.00 0.00 O ATOM 1271 CB LYS A 77 -6.319 15.252 12.563 1.00 0.00 C ATOM 1272 CG LYS A 77 -5.159 16.195 12.837 1.00 0.00 C ATOM 1273 CD LYS A 77 -5.621 17.642 12.908 1.00 0.00 C ATOM 1274 CE LYS A 77 -4.583 18.587 12.324 1.00 0.00 C ATOM 1275 NZ LYS A 77 -3.701 19.162 13.377 1.00 0.00 N ATOM 0 H LYS A 77 -6.160 13.437 14.814 1.00 0.00 H new ATOM 0 HA LYS A 77 -7.632 15.892 14.140 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -5.928 14.312 12.174 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -6.949 15.681 11.784 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -4.679 15.919 13.776 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.410 16.089 12.052 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -6.561 17.752 12.366 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -5.818 17.912 13.946 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -3.976 18.053 11.594 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -5.086 19.394 11.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -3.007 19.801 12.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -4.277 19.694 14.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -3.202 18.394 13.869 1.00 0.00 H new ATOM 1289 N ASP A 78 -9.530 14.454 13.495 1.00 0.00 N ATOM 1290 CA ASP A 78 -10.681 13.619 13.173 1.00 0.00 C ATOM 1291 C ASP A 78 -11.975 14.425 13.240 1.00 0.00 C ATOM 1292 O ASP A 78 -12.474 14.728 14.324 1.00 0.00 O ATOM 1293 CB ASP A 78 -10.760 12.429 14.132 1.00 0.00 C ATOM 1294 CG ASP A 78 -11.761 11.385 13.678 1.00 0.00 C ATOM 1295 OD1 ASP A 78 -12.860 11.320 14.268 1.00 0.00 O ATOM 1296 OD2 ASP A 78 -11.446 10.633 12.732 1.00 0.00 O ATOM 0 H ASP A 78 -9.764 15.410 13.763 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.555 13.250 12.155 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -9.775 11.970 14.219 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -11.035 12.784 15.125 1.00 0.00 H new ATOM 1301 N HIS A 79 -12.512 14.768 12.074 1.00 0.00 N ATOM 1302 CA HIS A 79 -13.749 15.538 11.999 1.00 0.00 C ATOM 1303 C HIS A 79 -14.586 15.105 10.800 1.00 0.00 C ATOM 1304 O HIS A 79 -15.789 14.870 10.922 1.00 0.00 O ATOM 1305 CB HIS A 79 -13.438 17.034 11.903 1.00 0.00 C ATOM 1306 CG HIS A 79 -12.970 17.632 13.193 1.00 0.00 C ATOM 1307 ND1 HIS A 79 -13.298 17.342 14.475 1.00 0.00 N flip ATOM 1308 CD2 HIS A 79 -12.052 18.659 13.257 1.00 0.00 C flip ATOM 1309 CE1 HIS A 79 -12.578 18.191 15.279 1.00 0.00 C flip ATOM 1310 NE2 HIS A 79 -11.834 18.975 14.522 1.00 0.00 N flip ATOM 0 H HIS A 79 -12.111 14.525 11.168 1.00 0.00 H new ATOM 0 HA HIS A 79 -14.321 15.350 12.908 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -12.674 17.190 11.141 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -14.332 17.562 11.570 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -11.584 19.132 12.406 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -12.615 18.213 16.358 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -11.199 19.701 14.856 1.00 0.00 H new ATOM 1319 N GLY A 80 -13.943 15.001 9.642 1.00 0.00 N ATOM 1320 CA GLY A 80 -14.643 14.596 8.438 1.00 0.00 C ATOM 1321 C GLY A 80 -13.696 14.153 7.340 1.00 0.00 C ATOM 1322 O GLY A 80 -12.730 14.849 7.026 1.00 0.00 O ATOM 0 H GLY A 80 -12.949 15.190 9.516 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.327 13.781 8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -15.250 15.426 8.077 1.00 0.00 H new ATOM 1326 N TYR A 81 -13.972 12.992 6.754 1.00 0.00 N ATOM 1327 CA TYR A 81 -13.136 12.458 5.685 1.00 0.00 C ATOM 1328 C TYR A 81 -13.724 12.787 4.316 1.00 0.00 C ATOM 1329 O TYR A 81 -14.901 12.534 4.057 1.00 0.00 O ATOM 1330 CB TYR A 81 -12.981 10.941 5.841 1.00 0.00 C ATOM 1331 CG TYR A 81 -14.262 10.171 5.612 1.00 0.00 C ATOM 1332 CD1 TYR A 81 -14.668 9.827 4.329 1.00 0.00 C ATOM 1333 CD2 TYR A 81 -15.066 9.790 6.678 1.00 0.00 C ATOM 1334 CE1 TYR A 81 -15.837 9.125 4.114 1.00 0.00 C ATOM 1335 CE2 TYR A 81 -16.238 9.086 6.472 1.00 0.00 C ATOM 1336 CZ TYR A 81 -16.618 8.756 5.189 1.00 0.00 C ATOM 1337 OH TYR A 81 -17.785 8.057 4.978 1.00 0.00 O ATOM 0 H TYR A 81 -14.768 12.404 7.001 1.00 0.00 H new ATOM 0 HA TYR A 81 -12.154 12.925 5.757 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -12.225 10.588 5.139 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -12.611 10.724 6.843 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -14.058 10.114 3.485 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -14.771 10.048 7.684 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -16.138 8.866 3.110 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -16.852 8.796 7.312 1.00 0.00 H new ATOM 0 HH TYR A 81 -18.217 7.873 5.839 1.00 0.00 H new ATOM 1347 N THR A 82 -12.896 13.353 3.444 1.00 0.00 N ATOM 1348 CA THR A 82 -13.334 13.716 2.100 1.00 0.00 C ATOM 1349 C THR A 82 -12.207 13.540 1.082 1.00 0.00 C ATOM 1350 O THR A 82 -12.281 14.062 -0.031 1.00 0.00 O ATOM 1351 CB THR A 82 -13.834 15.161 2.078 1.00 0.00 C ATOM 1352 OG1 THR A 82 -14.681 15.416 3.184 1.00 0.00 O ATOM 1353 CG2 THR A 82 -14.601 15.511 0.821 1.00 0.00 C ATOM 0 H THR A 82 -11.919 13.570 3.643 1.00 0.00 H new ATOM 0 HA THR A 82 -14.150 13.048 1.824 1.00 0.00 H new ATOM 0 HB THR A 82 -12.936 15.777 2.119 1.00 0.00 H new ATOM 0 HG1 THR A 82 -14.989 16.346 3.153 1.00 0.00 H new ATOM 0 HG21 THR A 82 -14.927 16.550 0.871 1.00 0.00 H new ATOM 0 HG22 THR A 82 -13.957 15.374 -0.048 1.00 0.00 H new ATOM 0 HG23 THR A 82 -15.472 14.862 0.734 1.00 0.00 H new ATOM 1361 N THR A 83 -11.166 12.807 1.467 1.00 0.00 N ATOM 1362 CA THR A 83 -10.030 12.569 0.582 1.00 0.00 C ATOM 1363 C THR A 83 -9.732 11.075 0.442 1.00 0.00 C ATOM 1364 O THR A 83 -9.009 10.663 -0.465 1.00 0.00 O ATOM 1365 CB THR A 83 -8.791 13.298 1.105 1.00 0.00 C ATOM 1366 OG1 THR A 83 -9.159 14.468 1.812 1.00 0.00 O ATOM 1367 CG2 THR A 83 -7.829 13.707 0.010 1.00 0.00 C ATOM 0 H THR A 83 -11.086 12.368 2.384 1.00 0.00 H new ATOM 0 HA THR A 83 -10.290 12.956 -0.403 1.00 0.00 H new ATOM 0 HB THR A 83 -8.290 12.583 1.758 1.00 0.00 H new ATOM 0 HG1 THR A 83 -8.353 14.919 2.140 1.00 0.00 H new ATOM 0 HG21 THR A 83 -6.973 14.219 0.450 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.487 12.820 -0.523 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.334 14.377 -0.686 1.00 0.00 H new ATOM 1375 N LEU A 84 -10.287 10.267 1.344 1.00 0.00 N ATOM 1376 CA LEU A 84 -10.072 8.827 1.315 1.00 0.00 C ATOM 1377 C LEU A 84 -10.936 8.147 0.251 1.00 0.00 C ATOM 1378 O LEU A 84 -10.888 6.927 0.096 1.00 0.00 O ATOM 1379 CB LEU A 84 -10.369 8.221 2.688 1.00 0.00 C ATOM 1380 CG LEU A 84 -10.011 6.738 2.831 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -9.197 6.502 4.094 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -11.270 5.884 2.840 1.00 0.00 C ATOM 0 H LEU A 84 -10.888 10.588 2.103 1.00 0.00 H new ATOM 0 HA LEU A 84 -9.026 8.656 1.059 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -9.823 8.786 3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -11.431 8.346 2.902 1.00 0.00 H new ATOM 0 HG LEU A 84 -9.404 6.448 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.953 5.443 4.177 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -8.276 7.084 4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.777 6.810 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -10.997 4.834 2.942 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -11.903 6.177 3.678 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -11.814 6.028 1.907 1.00 0.00 H new ATOM 1394 N ALA A 85 -11.726 8.933 -0.477 1.00 0.00 N ATOM 1395 CA ALA A 85 -12.592 8.386 -1.516 1.00 0.00 C ATOM 1396 C ALA A 85 -12.282 8.994 -2.883 1.00 0.00 C ATOM 1397 O ALA A 85 -12.539 8.377 -3.916 1.00 0.00 O ATOM 1398 CB ALA A 85 -14.053 8.610 -1.158 1.00 0.00 C ATOM 0 H ALA A 85 -11.784 9.945 -0.367 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.401 7.315 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -14.687 8.197 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.276 8.115 -0.213 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.244 9.679 -1.062 1.00 0.00 H new ATOM 1404 N THR A 86 -11.735 10.206 -2.888 1.00 0.00 N ATOM 1405 CA THR A 86 -11.403 10.882 -4.137 1.00 0.00 C ATOM 1406 C THR A 86 -10.197 10.233 -4.807 1.00 0.00 C ATOM 1407 O THR A 86 -10.155 10.090 -6.029 1.00 0.00 O ATOM 1408 CB THR A 86 -11.121 12.364 -3.881 1.00 0.00 C ATOM 1409 OG1 THR A 86 -11.737 12.791 -2.678 1.00 0.00 O ATOM 1410 CG2 THR A 86 -11.611 13.266 -4.993 1.00 0.00 C ATOM 0 H THR A 86 -11.513 10.737 -2.046 1.00 0.00 H new ATOM 0 HA THR A 86 -12.259 10.791 -4.806 1.00 0.00 H new ATOM 0 HB THR A 86 -10.036 12.446 -3.820 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.544 13.740 -2.531 1.00 0.00 H new ATOM 0 HG21 THR A 86 -11.380 14.303 -4.749 1.00 0.00 H new ATOM 0 HG22 THR A 86 -11.118 12.994 -5.926 1.00 0.00 H new ATOM 0 HG23 THR A 86 -12.689 13.152 -5.106 1.00 0.00 H new ATOM 1418 N SER A 87 -9.218 9.839 -4.000 1.00 0.00 N ATOM 1419 CA SER A 87 -8.013 9.203 -4.517 1.00 0.00 C ATOM 1420 C SER A 87 -7.302 8.407 -3.427 1.00 0.00 C ATOM 1421 O SER A 87 -6.778 8.977 -2.469 1.00 0.00 O ATOM 1422 CB SER A 87 -7.065 10.252 -5.101 1.00 0.00 C ATOM 1423 OG SER A 87 -7.343 11.539 -4.576 1.00 0.00 O ATOM 0 H SER A 87 -9.236 9.949 -2.986 1.00 0.00 H new ATOM 0 HA SER A 87 -8.310 8.513 -5.307 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.034 9.979 -4.877 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.162 10.270 -6.187 1.00 0.00 H new ATOM 0 HG SER A 87 -6.723 12.191 -4.963 1.00 0.00 H new ATOM 1429 N VAL A 88 -7.283 7.086 -3.581 1.00 0.00 N ATOM 1430 CA VAL A 88 -6.630 6.213 -2.612 1.00 0.00 C ATOM 1431 C VAL A 88 -5.582 5.341 -3.289 1.00 0.00 C ATOM 1432 O VAL A 88 -5.861 4.683 -4.293 1.00 0.00 O ATOM 1433 CB VAL A 88 -7.643 5.304 -1.886 1.00 0.00 C ATOM 1434 CG1 VAL A 88 -7.023 4.701 -0.635 1.00 0.00 C ATOM 1435 CG2 VAL A 88 -8.909 6.074 -1.542 1.00 0.00 C ATOM 0 H VAL A 88 -7.712 6.598 -4.367 1.00 0.00 H new ATOM 0 HA VAL A 88 -6.152 6.861 -1.878 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.913 4.490 -2.559 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -7.754 4.063 -0.138 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.151 4.107 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -6.719 5.500 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -9.609 5.413 -1.031 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -8.660 6.912 -0.891 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -9.367 6.449 -2.457 1.00 0.00 H new ATOM 1445 N THR A 89 -4.375 5.339 -2.734 1.00 0.00 N ATOM 1446 CA THR A 89 -3.281 4.546 -3.282 1.00 0.00 C ATOM 1447 C THR A 89 -3.228 3.174 -2.619 1.00 0.00 C ATOM 1448 O THR A 89 -3.111 3.068 -1.397 1.00 0.00 O ATOM 1449 CB THR A 89 -1.948 5.273 -3.092 1.00 0.00 C ATOM 1450 OG1 THR A 89 -2.046 6.243 -2.063 1.00 0.00 O ATOM 1451 CG2 THR A 89 -1.468 5.978 -4.343 1.00 0.00 C ATOM 0 H THR A 89 -4.129 5.878 -1.904 1.00 0.00 H new ATOM 0 HA THR A 89 -3.459 4.410 -4.349 1.00 0.00 H new ATOM 0 HB THR A 89 -1.230 4.495 -2.833 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.183 6.695 -1.956 1.00 0.00 H new ATOM 0 HG21 THR A 89 -0.518 6.473 -4.140 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.334 5.249 -5.142 1.00 0.00 H new ATOM 0 HG23 THR A 89 -2.206 6.720 -4.648 1.00 0.00 H new ATOM 1459 N LEU A 90 -3.320 2.126 -3.429 1.00 0.00 N ATOM 1460 CA LEU A 90 -3.288 0.762 -2.917 1.00 0.00 C ATOM 1461 C LEU A 90 -1.979 0.070 -3.278 1.00 0.00 C ATOM 1462 O LEU A 90 -1.377 0.355 -4.315 1.00 0.00 O ATOM 1463 CB LEU A 90 -4.469 -0.037 -3.469 1.00 0.00 C ATOM 1464 CG LEU A 90 -5.842 0.580 -3.200 1.00 0.00 C ATOM 1465 CD1 LEU A 90 -6.158 1.646 -4.237 1.00 0.00 C ATOM 1466 CD2 LEU A 90 -6.916 -0.497 -3.191 1.00 0.00 C ATOM 0 H LEU A 90 -3.417 2.195 -4.442 1.00 0.00 H new ATOM 0 HA LEU A 90 -3.362 0.809 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.342 -0.150 -4.546 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.445 -1.038 -3.038 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.824 1.053 -2.218 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -7.139 2.075 -4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -5.403 2.431 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -6.160 1.198 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -7.887 -0.041 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -6.936 -0.999 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -6.695 -1.224 -2.410 1.00 0.00 H new ATOM 1478 N LEU A 91 -1.545 -0.840 -2.412 1.00 0.00 N ATOM 1479 CA LEU A 91 -0.307 -1.578 -2.629 1.00 0.00 C ATOM 1480 C LEU A 91 -0.498 -3.060 -2.311 1.00 0.00 C ATOM 1481 O LEU A 91 -1.392 -3.427 -1.550 1.00 0.00 O ATOM 1482 CB LEU A 91 0.801 -0.996 -1.757 1.00 0.00 C ATOM 1483 CG LEU A 91 1.639 0.101 -2.416 1.00 0.00 C ATOM 1484 CD1 LEU A 91 1.008 1.466 -2.184 1.00 0.00 C ATOM 1485 CD2 LEU A 91 3.064 0.074 -1.886 1.00 0.00 C ATOM 0 H LEU A 91 -2.034 -1.084 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.027 -1.485 -3.678 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.353 -0.593 -0.849 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.465 -1.805 -1.453 1.00 0.00 H new ATOM 0 HG LEU A 91 1.668 -0.086 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.618 2.234 -2.660 1.00 0.00 H new ATOM 0 HD12 LEU A 91 0.006 1.481 -2.612 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.948 1.662 -1.113 1.00 0.00 H new ATOM 0 HD21 LEU A 91 3.646 0.861 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 91 3.054 0.236 -0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 91 3.515 -0.894 -2.104 1.00 0.00 H new ATOM 1497 N LYS A 92 0.346 -3.909 -2.894 1.00 0.00 N ATOM 1498 CA LYS A 92 0.257 -5.346 -2.660 1.00 0.00 C ATOM 1499 C LYS A 92 0.845 -5.710 -1.300 1.00 0.00 C ATOM 1500 O LYS A 92 2.012 -5.426 -1.018 1.00 0.00 O ATOM 1501 CB LYS A 92 0.989 -6.114 -3.765 1.00 0.00 C ATOM 1502 CG LYS A 92 0.361 -5.950 -5.138 1.00 0.00 C ATOM 1503 CD LYS A 92 -0.677 -7.024 -5.418 1.00 0.00 C ATOM 1504 CE LYS A 92 -0.361 -7.787 -6.695 1.00 0.00 C ATOM 1505 NZ LYS A 92 -1.006 -9.129 -6.715 1.00 0.00 N ATOM 0 H LYS A 92 1.094 -3.628 -3.528 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.796 -5.626 -2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 92 2.025 -5.776 -3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 92 1.009 -7.173 -3.508 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.105 -4.967 -5.209 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.139 -5.990 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -0.718 -7.719 -4.579 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.662 -6.566 -5.501 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.698 -7.209 -7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.719 -7.902 -6.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -0.766 -9.616 -7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.665 -9.690 -5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -2.038 -9.019 -6.649 1.00 0.00 H new ATOM 1519 N ALA A 93 0.030 -6.342 -0.460 1.00 0.00 N ATOM 1520 CA ALA A 93 0.465 -6.746 0.873 1.00 0.00 C ATOM 1521 C ALA A 93 1.784 -7.507 0.815 1.00 0.00 C ATOM 1522 O ALA A 93 2.605 -7.419 1.727 1.00 0.00 O ATOM 1523 CB ALA A 93 -0.606 -7.594 1.543 1.00 0.00 C ATOM 0 H ALA A 93 -0.936 -6.585 -0.679 1.00 0.00 H new ATOM 0 HA ALA A 93 0.623 -5.844 1.464 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -0.268 -7.888 2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -1.526 -7.016 1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -0.792 -8.486 0.944 1.00 0.00 H new ATOM 1529 N SER A 94 1.979 -8.251 -0.267 1.00 0.00 N ATOM 1530 CA SER A 94 3.197 -9.028 -0.449 1.00 0.00 C ATOM 1531 C SER A 94 4.416 -8.117 -0.562 1.00 0.00 C ATOM 1532 O SER A 94 5.465 -8.392 0.023 1.00 0.00 O ATOM 1533 CB SER A 94 3.084 -9.904 -1.699 1.00 0.00 C ATOM 1534 OG SER A 94 1.750 -10.333 -1.903 1.00 0.00 O ATOM 0 H SER A 94 1.309 -8.332 -1.031 1.00 0.00 H new ATOM 0 HA SER A 94 3.324 -9.666 0.426 1.00 0.00 H new ATOM 0 HB2 SER A 94 3.427 -9.346 -2.570 1.00 0.00 H new ATOM 0 HB3 SER A 94 3.737 -10.771 -1.599 1.00 0.00 H new ATOM 0 HG SER A 94 1.705 -10.889 -2.709 1.00 0.00 H new ATOM 1540 N GLU A 95 4.273 -7.028 -1.313 1.00 0.00 N ATOM 1541 CA GLU A 95 5.369 -6.084 -1.494 1.00 0.00 C ATOM 1542 C GLU A 95 5.689 -5.377 -0.184 1.00 0.00 C ATOM 1543 O GLU A 95 6.848 -5.310 0.235 1.00 0.00 O ATOM 1544 CB GLU A 95 5.020 -5.052 -2.569 1.00 0.00 C ATOM 1545 CG GLU A 95 4.443 -5.657 -3.840 1.00 0.00 C ATOM 1546 CD GLU A 95 5.501 -5.935 -4.888 1.00 0.00 C ATOM 1547 OE1 GLU A 95 5.793 -5.026 -5.693 1.00 0.00 O ATOM 1548 OE2 GLU A 95 6.034 -7.065 -4.906 1.00 0.00 O ATOM 0 H GLU A 95 3.414 -6.779 -1.803 1.00 0.00 H new ATOM 0 HA GLU A 95 6.247 -6.644 -1.816 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.302 -4.342 -2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 95 5.918 -4.488 -2.822 1.00 0.00 H new ATOM 0 HG2 GLU A 95 3.928 -6.586 -3.594 1.00 0.00 H new ATOM 0 HG3 GLU A 95 3.697 -4.979 -4.254 1.00 0.00 H new ATOM 1555 N VAL A 96 4.654 -4.860 0.467 1.00 0.00 N ATOM 1556 CA VAL A 96 4.825 -4.167 1.735 1.00 0.00 C ATOM 1557 C VAL A 96 5.403 -5.104 2.783 1.00 0.00 C ATOM 1558 O VAL A 96 6.386 -4.781 3.448 1.00 0.00 O ATOM 1559 CB VAL A 96 3.492 -3.591 2.251 1.00 0.00 C ATOM 1560 CG1 VAL A 96 3.733 -2.657 3.427 1.00 0.00 C ATOM 1561 CG2 VAL A 96 2.751 -2.869 1.134 1.00 0.00 C ATOM 0 H VAL A 96 3.690 -4.908 0.137 1.00 0.00 H new ATOM 0 HA VAL A 96 5.516 -3.342 1.560 1.00 0.00 H new ATOM 0 HB VAL A 96 2.870 -4.418 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.780 -2.260 3.778 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.217 -3.206 4.235 1.00 0.00 H new ATOM 0 HG13 VAL A 96 4.375 -1.834 3.113 1.00 0.00 H new ATOM 0 HG21 VAL A 96 1.813 -2.470 1.519 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.366 -2.052 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 96 2.543 -3.568 0.324 1.00 0.00 H new ATOM 1571 N GLU A 97 4.787 -6.271 2.917 1.00 0.00 N ATOM 1572 CA GLU A 97 5.236 -7.268 3.881 1.00 0.00 C ATOM 1573 C GLU A 97 6.709 -7.601 3.674 1.00 0.00 C ATOM 1574 O GLU A 97 7.458 -7.772 4.638 1.00 0.00 O ATOM 1575 CB GLU A 97 4.391 -8.538 3.762 1.00 0.00 C ATOM 1576 CG GLU A 97 3.086 -8.477 4.539 1.00 0.00 C ATOM 1577 CD GLU A 97 2.536 -9.852 4.865 1.00 0.00 C ATOM 1578 OE1 GLU A 97 1.298 -10.010 4.869 1.00 0.00 O ATOM 1579 OE2 GLU A 97 3.345 -10.771 5.117 1.00 0.00 O ATOM 0 H GLU A 97 3.973 -6.551 2.369 1.00 0.00 H new ATOM 0 HA GLU A 97 5.115 -6.851 4.881 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.170 -8.720 2.710 1.00 0.00 H new ATOM 0 HB3 GLU A 97 4.975 -9.387 4.116 1.00 0.00 H new ATOM 0 HG2 GLU A 97 3.244 -7.924 5.465 1.00 0.00 H new ATOM 0 HG3 GLU A 97 2.348 -7.923 3.959 1.00 0.00 H new ATOM 1586 N GLU A 98 7.123 -7.693 2.413 1.00 0.00 N ATOM 1587 CA GLU A 98 8.510 -8.005 2.093 1.00 0.00 C ATOM 1588 C GLU A 98 9.442 -6.913 2.612 1.00 0.00 C ATOM 1589 O GLU A 98 10.447 -7.191 3.280 1.00 0.00 O ATOM 1590 CB GLU A 98 8.673 -8.138 0.577 1.00 0.00 C ATOM 1591 CG GLU A 98 8.331 -9.511 0.033 1.00 0.00 C ATOM 1592 CD GLU A 98 9.071 -10.625 0.748 1.00 0.00 C ATOM 1593 OE1 GLU A 98 10.121 -11.065 0.234 1.00 0.00 O ATOM 1594 OE2 GLU A 98 8.601 -11.058 1.820 1.00 0.00 O ATOM 0 H GLU A 98 6.521 -7.557 1.601 1.00 0.00 H new ATOM 0 HA GLU A 98 8.772 -8.947 2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.039 -7.398 0.088 1.00 0.00 H new ATOM 0 HB3 GLU A 98 9.703 -7.901 0.311 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.258 -9.676 0.124 1.00 0.00 H new ATOM 0 HG3 GLU A 98 8.569 -9.546 -1.030 1.00 0.00 H new ATOM 1601 N ILE A 99 9.095 -5.660 2.326 1.00 0.00 N ATOM 1602 CA ILE A 99 9.901 -4.538 2.784 1.00 0.00 C ATOM 1603 C ILE A 99 9.935 -4.516 4.305 1.00 0.00 C ATOM 1604 O ILE A 99 10.975 -4.256 4.912 1.00 0.00 O ATOM 1605 CB ILE A 99 9.382 -3.185 2.252 1.00 0.00 C ATOM 1606 CG1 ILE A 99 9.054 -3.279 0.758 1.00 0.00 C ATOM 1607 CG2 ILE A 99 10.423 -2.100 2.490 1.00 0.00 C ATOM 1608 CD1 ILE A 99 7.866 -2.438 0.347 1.00 0.00 C ATOM 0 H ILE A 99 8.270 -5.401 1.785 1.00 0.00 H new ATOM 0 HA ILE A 99 10.907 -4.677 2.389 1.00 0.00 H new ATOM 0 HB ILE A 99 8.469 -2.930 2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 99 9.926 -2.968 0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.858 -4.320 0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 99 10.050 -1.148 2.112 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.621 -2.014 3.558 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.345 -2.360 1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 99 7.692 -2.553 -0.723 1.00 0.00 H new ATOM 0 HD12 ILE A 99 6.982 -2.764 0.896 1.00 0.00 H new ATOM 0 HD13 ILE A 99 8.067 -1.390 0.571 1.00 0.00 H new ATOM 1620 N LEU A 100 8.793 -4.819 4.916 1.00 0.00 N ATOM 1621 CA LEU A 100 8.693 -4.864 6.369 1.00 0.00 C ATOM 1622 C LEU A 100 9.555 -5.995 6.917 1.00 0.00 C ATOM 1623 O LEU A 100 10.147 -5.878 7.990 1.00 0.00 O ATOM 1624 CB LEU A 100 7.242 -5.062 6.805 1.00 0.00 C ATOM 1625 CG LEU A 100 6.280 -3.932 6.434 1.00 0.00 C ATOM 1626 CD1 LEU A 100 5.007 -4.039 7.253 1.00 0.00 C ATOM 1627 CD2 LEU A 100 6.932 -2.572 6.636 1.00 0.00 C ATOM 0 H LEU A 100 7.925 -5.037 4.426 1.00 0.00 H new ATOM 0 HA LEU A 100 9.049 -3.914 6.767 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.873 -5.988 6.365 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.221 -5.192 7.887 1.00 0.00 H new ATOM 0 HG LEU A 100 6.028 -4.030 5.378 1.00 0.00 H new ATOM 0 HD11 LEU A 100 4.330 -3.230 6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.526 -4.997 7.054 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.249 -3.968 8.313 1.00 0.00 H new ATOM 0 HD21 LEU A 100 6.227 -1.786 6.365 1.00 0.00 H new ATOM 0 HD22 LEU A 100 7.218 -2.458 7.681 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.819 -2.496 6.006 1.00 0.00 H new ATOM 1639 N ASP A 101 9.633 -7.084 6.157 1.00 0.00 N ATOM 1640 CA ASP A 101 10.438 -8.236 6.551 1.00 0.00 C ATOM 1641 C ASP A 101 11.913 -7.956 6.281 1.00 0.00 C ATOM 1642 O ASP A 101 12.795 -8.660 6.773 1.00 0.00 O ATOM 1643 CB ASP A 101 9.990 -9.486 5.788 1.00 0.00 C ATOM 1644 CG ASP A 101 9.239 -10.464 6.671 1.00 0.00 C ATOM 1645 OD1 ASP A 101 8.649 -10.021 7.679 1.00 0.00 O ATOM 1646 OD2 ASP A 101 9.242 -11.672 6.355 1.00 0.00 O ATOM 0 H ASP A 101 9.149 -7.193 5.266 1.00 0.00 H new ATOM 0 HA ASP A 101 10.299 -8.413 7.618 1.00 0.00 H new ATOM 0 HB2 ASP A 101 9.353 -9.191 4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.863 -9.981 5.363 1.00 0.00 H new ATOM 1651 N GLY A 102 12.166 -6.915 5.492 1.00 0.00 N ATOM 1652 CA GLY A 102 13.526 -6.536 5.157 1.00 0.00 C ATOM 1653 C GLY A 102 13.929 -6.996 3.774 1.00 0.00 C ATOM 1654 O GLY A 102 15.064 -6.783 3.347 1.00 0.00 O ATOM 0 H GLY A 102 11.446 -6.324 5.076 1.00 0.00 H new ATOM 0 HA2 GLY A 102 13.624 -5.452 5.219 1.00 0.00 H new ATOM 0 HA3 GLY A 102 14.210 -6.961 5.892 1.00 0.00 H new ATOM 1658 N ASN A 103 12.985 -7.592 3.056 1.00 0.00 N ATOM 1659 CA ASN A 103 13.235 -8.038 1.696 1.00 0.00 C ATOM 1660 C ASN A 103 12.575 -7.072 0.725 1.00 0.00 C ATOM 1661 O ASN A 103 11.352 -6.994 0.662 1.00 0.00 O ATOM 1662 CB ASN A 103 12.694 -9.454 1.486 1.00 0.00 C ATOM 1663 CG ASN A 103 13.173 -10.068 0.185 1.00 0.00 C ATOM 1664 OD1 ASN A 103 14.293 -10.572 0.099 1.00 0.00 O ATOM 1665 ND2 ASN A 103 12.324 -10.032 -0.835 1.00 0.00 N ATOM 0 H ASN A 103 12.041 -7.776 3.395 1.00 0.00 H new ATOM 0 HA ASN A 103 14.310 -8.057 1.517 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.004 -10.086 2.319 1.00 0.00 H new ATOM 0 HB3 ASN A 103 11.604 -9.429 1.493 1.00 0.00 H new ATOM 0 HD21 ASN A 103 12.590 -10.432 -1.735 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.405 -9.604 -0.719 1.00 0.00 H new ATOM 1672 N ASP A 104 13.372 -6.322 -0.018 1.00 0.00 N ATOM 1673 CA ASP A 104 12.811 -5.359 -0.960 1.00 0.00 C ATOM 1674 C ASP A 104 13.845 -4.844 -1.957 1.00 0.00 C ATOM 1675 O ASP A 104 13.610 -3.845 -2.633 1.00 0.00 O ATOM 1676 CB ASP A 104 12.205 -4.184 -0.195 1.00 0.00 C ATOM 1677 CG ASP A 104 13.205 -3.516 0.729 1.00 0.00 C ATOM 1678 OD1 ASP A 104 13.238 -2.268 0.766 1.00 0.00 O ATOM 1679 OD2 ASP A 104 13.955 -4.242 1.415 1.00 0.00 O ATOM 0 H ASP A 104 14.391 -6.357 0.008 1.00 0.00 H new ATOM 0 HA ASP A 104 12.040 -5.877 -1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 104 11.824 -3.450 -0.905 1.00 0.00 H new ATOM 0 HB3 ASP A 104 11.354 -4.535 0.388 1.00 0.00 H new ATOM 1684 N GLU A 105 14.979 -5.526 -2.054 1.00 0.00 N ATOM 1685 CA GLU A 105 16.036 -5.123 -2.975 1.00 0.00 C ATOM 1686 C GLU A 105 15.509 -5.034 -4.402 1.00 0.00 C ATOM 1687 O GLU A 105 15.871 -4.130 -5.154 1.00 0.00 O ATOM 1688 CB GLU A 105 17.203 -6.111 -2.911 1.00 0.00 C ATOM 1689 CG GLU A 105 17.603 -6.490 -1.494 1.00 0.00 C ATOM 1690 CD GLU A 105 17.144 -7.884 -1.111 1.00 0.00 C ATOM 1691 OE1 GLU A 105 17.942 -8.625 -0.499 1.00 0.00 O ATOM 1692 OE2 GLU A 105 15.987 -8.233 -1.423 1.00 0.00 O ATOM 0 H GLU A 105 15.191 -6.360 -1.507 1.00 0.00 H new ATOM 0 HA GLU A 105 16.388 -4.136 -2.674 1.00 0.00 H new ATOM 0 HB2 GLU A 105 16.933 -7.015 -3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 105 18.064 -5.677 -3.419 1.00 0.00 H new ATOM 0 HG2 GLU A 105 18.687 -6.429 -1.398 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.180 -5.768 -0.796 1.00 0.00 H new ATOM 1699 N LYS A 106 14.648 -5.977 -4.764 1.00 0.00 N ATOM 1700 CA LYS A 106 14.063 -6.007 -6.097 1.00 0.00 C ATOM 1701 C LYS A 106 13.102 -4.838 -6.292 1.00 0.00 C ATOM 1702 O LYS A 106 12.873 -4.393 -7.417 1.00 0.00 O ATOM 1703 CB LYS A 106 13.328 -7.328 -6.324 1.00 0.00 C ATOM 1704 CG LYS A 106 12.146 -7.535 -5.389 1.00 0.00 C ATOM 1705 CD LYS A 106 11.244 -8.658 -5.873 1.00 0.00 C ATOM 1706 CE LYS A 106 10.582 -8.310 -7.196 1.00 0.00 C ATOM 1707 NZ LYS A 106 9.219 -8.899 -7.308 1.00 0.00 N ATOM 0 H LYS A 106 14.339 -6.732 -4.151 1.00 0.00 H new ATOM 0 HA LYS A 106 14.870 -5.919 -6.825 1.00 0.00 H new ATOM 0 HB2 LYS A 106 12.976 -7.366 -7.355 1.00 0.00 H new ATOM 0 HB3 LYS A 106 14.030 -8.152 -6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 106 12.509 -7.764 -4.387 1.00 0.00 H new ATOM 0 HG3 LYS A 106 11.572 -6.611 -5.316 1.00 0.00 H new ATOM 0 HD2 LYS A 106 11.828 -9.572 -5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 106 10.478 -8.860 -5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 106 10.518 -7.226 -7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 106 11.201 -8.670 -8.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 8.802 -8.638 -8.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 9.282 -9.935 -7.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 8.620 -8.536 -6.539 1.00 0.00 H new ATOM 1721 N TYR A 107 12.538 -4.351 -5.190 1.00 0.00 N ATOM 1722 CA TYR A 107 11.601 -3.244 -5.236 1.00 0.00 C ATOM 1723 C TYR A 107 12.323 -1.900 -5.301 1.00 0.00 C ATOM 1724 O TYR A 107 11.877 -0.981 -5.988 1.00 0.00 O ATOM 1725 CB TYR A 107 10.704 -3.277 -4.005 1.00 0.00 C ATOM 1726 CG TYR A 107 9.998 -4.593 -3.782 1.00 0.00 C ATOM 1727 CD1 TYR A 107 9.976 -5.179 -2.525 1.00 0.00 C ATOM 1728 CD2 TYR A 107 9.341 -5.239 -4.819 1.00 0.00 C ATOM 1729 CE1 TYR A 107 9.321 -6.372 -2.305 1.00 0.00 C ATOM 1730 CE2 TYR A 107 8.684 -6.436 -4.610 1.00 0.00 C ATOM 1731 CZ TYR A 107 8.677 -6.999 -3.351 1.00 0.00 C ATOM 1732 OH TYR A 107 8.022 -8.191 -3.138 1.00 0.00 O ATOM 0 H TYR A 107 12.718 -4.711 -4.253 1.00 0.00 H new ATOM 0 HA TYR A 107 11.001 -3.352 -6.139 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.306 -3.048 -3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 107 9.957 -2.488 -4.094 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.481 -4.692 -1.704 1.00 0.00 H new ATOM 0 HD2 TYR A 107 9.343 -4.799 -5.805 1.00 0.00 H new ATOM 0 HE1 TYR A 107 9.312 -6.813 -1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 107 8.179 -6.928 -5.428 1.00 0.00 H new ATOM 0 HH TYR A 107 7.180 -8.196 -3.640 1.00 0.00 H new ATOM 1742 N LYS A 108 13.429 -1.785 -4.571 1.00 0.00 N ATOM 1743 CA LYS A 108 14.195 -0.538 -4.539 1.00 0.00 C ATOM 1744 C LYS A 108 14.999 -0.341 -5.824 1.00 0.00 C ATOM 1745 O LYS A 108 15.457 0.765 -6.111 1.00 0.00 O ATOM 1746 CB LYS A 108 15.153 -0.492 -3.336 1.00 0.00 C ATOM 1747 CG LYS A 108 14.883 -1.530 -2.258 1.00 0.00 C ATOM 1748 CD LYS A 108 15.632 -1.209 -0.974 1.00 0.00 C ATOM 1749 CE LYS A 108 15.317 0.192 -0.478 1.00 0.00 C ATOM 1750 NZ LYS A 108 15.270 0.260 1.010 1.00 0.00 N ATOM 0 H LYS A 108 13.815 -2.534 -3.996 1.00 0.00 H new ATOM 0 HA LYS A 108 13.468 0.268 -4.445 1.00 0.00 H new ATOM 0 HB2 LYS A 108 16.173 -0.623 -3.698 1.00 0.00 H new ATOM 0 HB3 LYS A 108 15.099 0.499 -2.886 1.00 0.00 H new ATOM 0 HG2 LYS A 108 13.813 -1.575 -2.055 1.00 0.00 H new ATOM 0 HG3 LYS A 108 15.181 -2.515 -2.617 1.00 0.00 H new ATOM 0 HD2 LYS A 108 15.367 -1.936 -0.206 1.00 0.00 H new ATOM 0 HD3 LYS A 108 16.704 -1.303 -1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 108 16.071 0.886 -0.849 1.00 0.00 H new ATOM 0 HE3 LYS A 108 14.359 0.514 -0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 15.493 1.227 1.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 14.318 0.002 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 15.966 -0.401 1.410 1.00 0.00 H new ATOM 1764 N ALA A 109 15.192 -1.416 -6.583 1.00 0.00 N ATOM 1765 CA ALA A 109 15.968 -1.341 -7.818 1.00 0.00 C ATOM 1766 C ALA A 109 15.129 -1.647 -9.055 1.00 0.00 C ATOM 1767 O ALA A 109 15.675 -1.988 -10.105 1.00 0.00 O ATOM 1768 CB ALA A 109 17.143 -2.297 -7.745 1.00 0.00 C ATOM 0 H ALA A 109 14.825 -2.343 -6.367 1.00 0.00 H new ATOM 0 HA ALA A 109 16.324 -0.315 -7.914 1.00 0.00 H new ATOM 0 HB1 ALA A 109 17.719 -2.237 -8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 109 17.780 -2.027 -6.902 1.00 0.00 H new ATOM 0 HB3 ALA A 109 16.776 -3.315 -7.611 1.00 0.00 H new ATOM 1774 N VAL A 110 13.809 -1.528 -8.934 1.00 0.00 N ATOM 1775 CA VAL A 110 12.910 -1.796 -10.058 1.00 0.00 C ATOM 1776 C VAL A 110 13.332 -3.051 -10.825 1.00 0.00 C ATOM 1777 O VAL A 110 13.328 -3.072 -12.056 1.00 0.00 O ATOM 1778 CB VAL A 110 12.855 -0.598 -11.029 1.00 0.00 C ATOM 1779 CG1 VAL A 110 14.213 -0.350 -11.669 1.00 0.00 C ATOM 1780 CG2 VAL A 110 11.788 -0.818 -12.091 1.00 0.00 C ATOM 0 H VAL A 110 13.338 -1.249 -8.073 1.00 0.00 H new ATOM 0 HA VAL A 110 11.918 -1.958 -9.637 1.00 0.00 H new ATOM 0 HB VAL A 110 12.589 0.290 -10.456 1.00 0.00 H new ATOM 0 HG11 VAL A 110 14.145 0.500 -12.348 1.00 0.00 H new ATOM 0 HG12 VAL A 110 14.948 -0.136 -10.893 1.00 0.00 H new ATOM 0 HG13 VAL A 110 14.520 -1.236 -12.225 1.00 0.00 H new ATOM 0 HG21 VAL A 110 11.765 0.038 -12.766 1.00 0.00 H new ATOM 0 HG22 VAL A 110 12.019 -1.721 -12.657 1.00 0.00 H new ATOM 0 HG23 VAL A 110 10.815 -0.929 -11.612 1.00 0.00 H new ATOM 1790 N SER A 111 13.706 -4.091 -10.083 1.00 0.00 N ATOM 1791 CA SER A 111 14.145 -5.351 -10.679 1.00 0.00 C ATOM 1792 C SER A 111 13.236 -5.784 -11.827 1.00 0.00 C ATOM 1793 O SER A 111 13.546 -5.554 -12.996 1.00 0.00 O ATOM 1794 CB SER A 111 14.202 -6.447 -9.612 1.00 0.00 C ATOM 1795 OG SER A 111 14.433 -7.718 -10.197 1.00 0.00 O ATOM 0 H SER A 111 13.714 -4.086 -9.063 1.00 0.00 H new ATOM 0 HA SER A 111 15.142 -5.191 -11.089 1.00 0.00 H new ATOM 0 HB2 SER A 111 14.994 -6.223 -8.898 1.00 0.00 H new ATOM 0 HB3 SER A 111 13.266 -6.465 -9.054 1.00 0.00 H new ATOM 0 HG SER A 111 14.467 -8.400 -9.494 1.00 0.00 H new ATOM 1801 N ILE A 112 12.117 -6.416 -11.490 1.00 0.00 N ATOM 1802 CA ILE A 112 11.172 -6.884 -12.496 1.00 0.00 C ATOM 1803 C ILE A 112 9.735 -6.754 -12.007 1.00 0.00 C ATOM 1804 O ILE A 112 9.157 -7.709 -11.488 1.00 0.00 O ATOM 1805 CB ILE A 112 11.442 -8.351 -12.879 1.00 0.00 C ATOM 1806 CG1 ILE A 112 12.928 -8.562 -13.174 1.00 0.00 C ATOM 1807 CG2 ILE A 112 10.595 -8.751 -14.077 1.00 0.00 C ATOM 1808 CD1 ILE A 112 13.298 -10.010 -13.416 1.00 0.00 C ATOM 0 H ILE A 112 11.843 -6.616 -10.528 1.00 0.00 H new ATOM 0 HA ILE A 112 11.310 -6.254 -13.375 1.00 0.00 H new ATOM 0 HB ILE A 112 11.167 -8.986 -12.037 1.00 0.00 H new ATOM 0 HG12 ILE A 112 13.203 -7.974 -14.050 1.00 0.00 H new ATOM 0 HG13 ILE A 112 13.514 -8.181 -12.337 1.00 0.00 H new ATOM 0 HG21 ILE A 112 10.798 -9.790 -14.335 1.00 0.00 H new ATOM 0 HG22 ILE A 112 9.539 -8.637 -13.830 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.840 -8.112 -14.925 1.00 0.00 H new ATOM 0 HD11 ILE A 112 14.366 -10.084 -13.619 1.00 0.00 H new ATOM 0 HD12 ILE A 112 13.055 -10.600 -12.532 1.00 0.00 H new ATOM 0 HD13 ILE A 112 12.739 -10.390 -14.271 1.00 0.00 H new ATOM 1820 N SER A 113 9.161 -5.569 -12.180 1.00 0.00 N ATOM 1821 CA SER A 113 7.788 -5.316 -11.759 1.00 0.00 C ATOM 1822 C SER A 113 7.335 -3.924 -12.191 1.00 0.00 C ATOM 1823 O SER A 113 7.923 -2.934 -11.706 1.00 0.00 O ATOM 1824 CB SER A 113 7.662 -5.464 -10.242 1.00 0.00 C ATOM 1825 OG SER A 113 6.834 -6.564 -9.903 1.00 0.00 O ATOM 1826 OXT SER A 113 6.396 -3.836 -13.009 1.00 0.00 O ATOM 0 H SER A 113 9.625 -4.768 -12.609 1.00 0.00 H new ATOM 0 HA SER A 113 7.144 -6.051 -12.240 1.00 0.00 H new ATOM 0 HB2 SER A 113 8.651 -5.600 -9.804 1.00 0.00 H new ATOM 0 HB3 SER A 113 7.248 -4.549 -9.817 1.00 0.00 H new ATOM 0 HG SER A 113 7.230 -7.391 -10.251 1.00 0.00 H new TER 1832 SER A 113