USER MOD reduce.3.24.130724 H: found=0, std=0, add=755, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 755 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 84 THR OG1 : rot 180:sc= -0.0321 USER MOD Set 1.2: A 86 SER OG : rot 180:sc= 0.0273 USER MOD Set 2.1: A 32 ASN : amide:sc= 0.198 X(o=0.66,f=0.97) USER MOD Set 2.2: A 34 HIS : no HE2:sc= 0.459 K(o=0.66,f=-3.1!) USER MOD Set 3.1: A 18 THR OG1 : rot -159:sc= 0.124 USER MOD Set 3.2: A 29 LYS NZ :NH3+ -175:sc= -0.434 (180deg=-0.675) USER MOD Single : A 1 MET CE :methyl -160:sc= -0.124 (180deg=-0.661) USER MOD Single : A 1 MET N :NH3+ -120:sc= 0.0569 (180deg=-0.0979) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot -21:sc= 0.332 USER MOD Single : A 8 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0808) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -1.86 USER MOD Single : A 39 HIS : no HD1:sc= -1.23 K(o=-1.2,f=-3.6!) USER MOD Single : A 41 SER OG : rot -163:sc= -1.04 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot -69:sc= 0.0276 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -136:sc= 0 (180deg=-1.86) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 30:sc= -0.241 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -154:sc= 1.17 (180deg=-0.0478) USER MOD Single : A 78 LYS NZ :NH3+ 174:sc= -0.011 (180deg=-0.103) USER MOD Single : A 80 THR OG1 : rot 8:sc= 1.98 USER MOD Single : A 81 SER OG : rot 180:sc= 0.00883 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 6.484 1.653 -5.573 1.00 13.45 N1+ ATOM 2 CA MET A 1 6.190 0.342 -4.950 1.00 62.21 C ATOM 3 C MET A 1 7.419 -0.547 -4.992 1.00 44.03 C ATOM 4 O MET A 1 8.295 -0.362 -5.836 1.00 64.43 O ATOM 5 CB MET A 1 5.025 -0.350 -5.665 1.00 51.33 C ATOM 6 CG MET A 1 3.694 0.362 -5.488 1.00 10.55 C ATOM 7 SD MET A 1 2.345 -0.443 -6.375 1.00 24.21 S ATOM 8 CE MET A 1 2.891 -0.260 -8.073 1.00 21.53 C ATOM 0 H1 MET A 1 6.339 2.410 -4.874 1.00 13.45 H new ATOM 0 H2 MET A 1 7.471 1.668 -5.900 1.00 13.45 H new ATOM 0 H3 MET A 1 5.849 1.803 -6.383 1.00 13.45 H new ATOM 0 HA MET A 1 5.908 0.515 -3.911 1.00 62.21 H new ATOM 0 HB2 MET A 1 5.252 -0.419 -6.729 1.00 51.33 H new ATOM 0 HB3 MET A 1 4.935 -1.370 -5.291 1.00 51.33 H new ATOM 0 HG2 MET A 1 3.449 0.406 -4.427 1.00 10.55 H new ATOM 0 HG3 MET A 1 3.789 1.391 -5.836 1.00 10.55 H new ATOM 0 HE1 MET A 1 2.039 -0.374 -8.743 1.00 21.53 H new ATOM 0 HE2 MET A 1 3.331 0.728 -8.209 1.00 21.53 H new ATOM 0 HE3 MET A 1 3.636 -1.023 -8.300 1.00 21.53 H new ATOM 20 N VAL A 2 7.491 -1.503 -4.076 1.00 61.12 N ATOM 21 CA VAL A 2 8.628 -2.412 -4.021 1.00 73.43 C ATOM 22 C VAL A 2 8.328 -3.707 -4.764 1.00 34.53 C ATOM 23 O VAL A 2 9.237 -4.390 -5.232 1.00 14.33 O ATOM 24 CB VAL A 2 9.047 -2.729 -2.568 1.00 13.00 C ATOM 25 CG1 VAL A 2 9.472 -1.459 -1.851 1.00 62.22 C ATOM 26 CG2 VAL A 2 7.928 -3.426 -1.804 1.00 43.02 C ATOM 0 H VAL A 2 6.780 -1.669 -3.364 1.00 61.12 H new ATOM 0 HA VAL A 2 9.460 -1.904 -4.509 1.00 73.43 H new ATOM 0 HB VAL A 2 9.896 -3.412 -2.607 1.00 13.00 H new ATOM 0 HG11 VAL A 2 9.764 -1.699 -0.829 1.00 62.22 H new ATOM 0 HG12 VAL A 2 10.317 -1.011 -2.374 1.00 62.22 H new ATOM 0 HG13 VAL A 2 8.640 -0.755 -1.835 1.00 62.22 H new ATOM 0 HG21 VAL A 2 8.257 -3.634 -0.786 1.00 43.02 H new ATOM 0 HG22 VAL A 2 7.050 -2.781 -1.777 1.00 43.02 H new ATOM 0 HG23 VAL A 2 7.676 -4.362 -2.302 1.00 43.02 H new ATOM 36 N LYS A 3 7.049 -4.038 -4.872 1.00 73.31 N ATOM 37 CA LYS A 3 6.628 -5.220 -5.607 1.00 3.03 C ATOM 38 C LYS A 3 5.718 -4.826 -6.759 1.00 35.53 C ATOM 39 O LYS A 3 4.509 -4.676 -6.586 1.00 73.50 O ATOM 40 CB LYS A 3 5.911 -6.220 -4.693 1.00 61.50 C ATOM 41 CG LYS A 3 6.781 -6.766 -3.572 1.00 44.41 C ATOM 42 CD LYS A 3 8.058 -7.392 -4.110 1.00 1.24 C ATOM 43 CE LYS A 3 8.891 -7.993 -2.992 1.00 2.24 C ATOM 44 NZ LYS A 3 10.222 -8.450 -3.469 1.00 14.35 N1+ ATOM 0 H LYS A 3 6.285 -3.503 -4.459 1.00 73.31 H new ATOM 0 HA LYS A 3 7.522 -5.703 -6.003 1.00 3.03 H new ATOM 0 HB2 LYS A 3 5.036 -5.737 -4.258 1.00 61.50 H new ATOM 0 HB3 LYS A 3 5.548 -7.052 -5.296 1.00 61.50 H new ATOM 0 HG2 LYS A 3 7.032 -5.962 -2.881 1.00 44.41 H new ATOM 0 HG3 LYS A 3 6.221 -7.510 -3.005 1.00 44.41 H new ATOM 0 HD2 LYS A 3 7.808 -8.165 -4.837 1.00 1.24 H new ATOM 0 HD3 LYS A 3 8.642 -6.637 -4.636 1.00 1.24 H new ATOM 0 HE2 LYS A 3 9.024 -7.254 -2.202 1.00 2.24 H new ATOM 0 HE3 LYS A 3 8.355 -8.835 -2.554 1.00 2.24 H new ATOM 0 HZ1 LYS A 3 10.756 -8.853 -2.673 1.00 14.35 H new ATOM 0 HZ2 LYS A 3 10.097 -9.175 -4.205 1.00 14.35 H new ATOM 0 HZ3 LYS A 3 10.745 -7.643 -3.864 1.00 14.35 H new ATOM 58 N ASP A 4 6.315 -4.616 -7.921 1.00 53.15 N ATOM 59 CA ASP A 4 5.559 -4.279 -9.119 1.00 4.22 C ATOM 60 C ASP A 4 5.786 -5.327 -10.196 1.00 52.30 C ATOM 61 O ASP A 4 4.876 -5.661 -10.953 1.00 65.12 O ATOM 62 CB ASP A 4 5.958 -2.899 -9.640 1.00 1.31 C ATOM 63 CG ASP A 4 5.207 -2.523 -10.900 1.00 21.24 C ATOM 64 OD1 ASP A 4 3.984 -2.291 -10.822 1.00 10.24 O ATOM 65 OD2 ASP A 4 5.839 -2.443 -11.974 1.00 34.34 O ATOM 0 H ASP A 4 7.324 -4.673 -8.061 1.00 53.15 H new ATOM 0 HA ASP A 4 4.500 -4.259 -8.861 1.00 4.22 H new ATOM 0 HB2 ASP A 4 5.767 -2.153 -8.869 1.00 1.31 H new ATOM 0 HB3 ASP A 4 7.029 -2.884 -9.840 1.00 1.31 H new ATOM 70 N GLU A 5 7.011 -5.836 -10.261 1.00 4.22 N ATOM 71 CA GLU A 5 7.355 -6.922 -11.170 1.00 35.44 C ATOM 72 C GLU A 5 6.466 -8.117 -10.860 1.00 73.02 C ATOM 73 O GLU A 5 5.760 -8.640 -11.724 1.00 34.45 O ATOM 74 CB GLU A 5 8.834 -7.304 -11.013 1.00 41.13 C ATOM 75 CG GLU A 5 9.820 -6.189 -11.357 1.00 74.42 C ATOM 76 CD GLU A 5 9.703 -4.969 -10.456 1.00 52.41 C ATOM 77 OE1 GLU A 5 9.899 -3.840 -10.950 1.00 54.51 O ATOM 78 OE2 GLU A 5 9.389 -5.132 -9.256 1.00 42.44 O ATOM 0 H GLU A 5 7.789 -5.510 -9.688 1.00 4.22 H new ATOM 0 HA GLU A 5 7.197 -6.602 -12.200 1.00 35.44 H new ATOM 0 HB2 GLU A 5 9.007 -7.619 -9.984 1.00 41.13 H new ATOM 0 HB3 GLU A 5 9.043 -8.164 -11.649 1.00 41.13 H new ATOM 0 HG2 GLU A 5 10.835 -6.581 -11.293 1.00 74.42 H new ATOM 0 HG3 GLU A 5 9.662 -5.882 -12.391 1.00 74.42 H new ATOM 85 N LYS A 6 6.512 -8.534 -9.605 1.00 23.14 N ATOM 86 CA LYS A 6 5.548 -9.471 -9.065 1.00 22.01 C ATOM 87 C LYS A 6 4.669 -8.729 -8.074 1.00 32.44 C ATOM 88 O LYS A 6 4.942 -8.719 -6.876 1.00 21.21 O ATOM 89 CB LYS A 6 6.239 -10.667 -8.394 1.00 3.31 C ATOM 90 CG LYS A 6 6.907 -11.633 -9.368 1.00 74.03 C ATOM 91 CD LYS A 6 5.909 -12.602 -10.001 1.00 23.44 C ATOM 92 CE LYS A 6 4.928 -11.902 -10.932 1.00 12.32 C ATOM 93 NZ LYS A 6 3.941 -12.846 -11.518 1.00 22.43 N1+ ATOM 0 H LYS A 6 7.219 -8.231 -8.935 1.00 23.14 H new ATOM 0 HA LYS A 6 4.941 -9.874 -9.876 1.00 22.01 H new ATOM 0 HB2 LYS A 6 6.990 -10.294 -7.698 1.00 3.31 H new ATOM 0 HB3 LYS A 6 5.502 -11.214 -7.805 1.00 3.31 H new ATOM 0 HG2 LYS A 6 7.407 -11.066 -10.153 1.00 74.03 H new ATOM 0 HG3 LYS A 6 7.677 -12.199 -8.844 1.00 74.03 H new ATOM 0 HD2 LYS A 6 6.452 -13.366 -10.558 1.00 23.44 H new ATOM 0 HD3 LYS A 6 5.356 -13.114 -9.214 1.00 23.44 H new ATOM 0 HE2 LYS A 6 4.401 -11.122 -10.382 1.00 12.32 H new ATOM 0 HE3 LYS A 6 5.478 -11.410 -11.734 1.00 12.32 H new ATOM 0 HZ1 LYS A 6 3.294 -12.327 -12.145 1.00 22.43 H new ATOM 0 HZ2 LYS A 6 4.441 -13.576 -12.065 1.00 22.43 H new ATOM 0 HZ3 LYS A 6 3.397 -13.297 -10.755 1.00 22.43 H new ATOM 107 N SER A 7 3.655 -8.057 -8.605 1.00 2.11 N ATOM 108 CA SER A 7 2.787 -7.196 -7.815 1.00 43.41 C ATOM 109 C SER A 7 2.174 -7.947 -6.640 1.00 23.25 C ATOM 110 O SER A 7 2.516 -7.703 -5.483 1.00 22.32 O ATOM 111 CB SER A 7 1.675 -6.641 -8.703 1.00 53.11 C ATOM 112 OG SER A 7 2.193 -6.179 -9.940 1.00 61.11 O ATOM 0 H SER A 7 3.412 -8.094 -9.595 1.00 2.11 H new ATOM 0 HA SER A 7 3.391 -6.381 -7.416 1.00 43.41 H new ATOM 0 HB2 SER A 7 0.929 -7.415 -8.884 1.00 53.11 H new ATOM 0 HB3 SER A 7 1.169 -5.824 -8.189 1.00 53.11 H new ATOM 0 HG SER A 7 3.151 -5.998 -9.846 1.00 61.11 H new ATOM 118 N LYS A 8 1.268 -8.862 -6.949 1.00 52.55 N ATOM 119 CA LYS A 8 0.557 -9.607 -5.929 1.00 34.11 C ATOM 120 C LYS A 8 0.346 -11.043 -6.389 1.00 15.13 C ATOM 121 O LYS A 8 -0.469 -11.304 -7.273 1.00 62.42 O ATOM 122 CB LYS A 8 -0.802 -8.947 -5.635 1.00 2.40 C ATOM 123 CG LYS A 8 -0.707 -7.489 -5.196 1.00 11.24 C ATOM 124 CD LYS A 8 -0.136 -7.354 -3.792 1.00 53.22 C ATOM 125 CE LYS A 8 0.401 -5.953 -3.528 1.00 70.32 C ATOM 126 NZ LYS A 8 -0.581 -4.892 -3.882 1.00 4.11 N1+ ATOM 0 H LYS A 8 1.009 -9.105 -7.905 1.00 52.55 H new ATOM 0 HA LYS A 8 1.152 -9.607 -5.016 1.00 34.11 H new ATOM 0 HB2 LYS A 8 -1.423 -9.006 -6.529 1.00 2.40 H new ATOM 0 HB3 LYS A 8 -1.309 -9.517 -4.857 1.00 2.40 H new ATOM 0 HG2 LYS A 8 -0.079 -6.939 -5.897 1.00 11.24 H new ATOM 0 HG3 LYS A 8 -1.697 -7.035 -5.230 1.00 11.24 H new ATOM 0 HD2 LYS A 8 -0.910 -7.590 -3.061 1.00 53.22 H new ATOM 0 HD3 LYS A 8 0.664 -8.081 -3.654 1.00 53.22 H new ATOM 0 HE2 LYS A 8 0.667 -5.861 -2.475 1.00 70.32 H new ATOM 0 HE3 LYS A 8 1.316 -5.804 -4.102 1.00 70.32 H new ATOM 0 HZ1 LYS A 8 -0.258 -3.979 -3.501 1.00 4.11 H new ATOM 0 HZ2 LYS A 8 -0.663 -4.826 -4.917 1.00 4.11 H new ATOM 0 HZ3 LYS A 8 -1.509 -5.128 -3.476 1.00 4.11 H new ATOM 140 N THR A 9 1.110 -11.962 -5.829 1.00 34.40 N ATOM 141 CA THR A 9 0.894 -13.372 -6.084 1.00 53.13 C ATOM 142 C THR A 9 -0.130 -13.914 -5.090 1.00 33.30 C ATOM 143 O THR A 9 0.194 -14.223 -3.942 1.00 32.33 O ATOM 144 CB THR A 9 2.208 -14.172 -5.991 1.00 44.11 C ATOM 145 OG1 THR A 9 3.174 -13.615 -6.894 1.00 75.04 O ATOM 146 CG2 THR A 9 1.985 -15.639 -6.330 1.00 45.21 C ATOM 0 H THR A 9 1.883 -11.757 -5.196 1.00 34.40 H new ATOM 0 HA THR A 9 0.515 -13.485 -7.100 1.00 53.13 H new ATOM 0 HB THR A 9 2.574 -14.109 -4.966 1.00 44.11 H new ATOM 0 HG1 THR A 9 4.010 -14.123 -6.833 1.00 75.04 H new ATOM 0 HG21 THR A 9 2.930 -16.177 -6.256 1.00 45.21 H new ATOM 0 HG22 THR A 9 1.267 -16.069 -5.632 1.00 45.21 H new ATOM 0 HG23 THR A 9 1.598 -15.723 -7.346 1.00 45.21 H new ATOM 154 N LEU A 10 -1.375 -13.991 -5.531 1.00 22.12 N ATOM 155 CA LEU A 10 -2.473 -14.351 -4.653 1.00 43.45 C ATOM 156 C LEU A 10 -3.440 -15.291 -5.358 1.00 61.03 C ATOM 157 O LEU A 10 -3.356 -15.485 -6.571 1.00 13.45 O ATOM 158 CB LEU A 10 -3.212 -13.088 -4.175 1.00 3.42 C ATOM 159 CG LEU A 10 -4.171 -12.428 -5.182 1.00 71.44 C ATOM 160 CD1 LEU A 10 -4.873 -11.250 -4.531 1.00 71.13 C ATOM 161 CD2 LEU A 10 -3.446 -11.965 -6.438 1.00 23.11 C ATOM 0 H LEU A 10 -1.650 -13.808 -6.496 1.00 22.12 H new ATOM 0 HA LEU A 10 -2.062 -14.867 -3.785 1.00 43.45 H new ATOM 0 HB2 LEU A 10 -3.780 -13.344 -3.281 1.00 3.42 H new ATOM 0 HB3 LEU A 10 -2.467 -12.349 -3.879 1.00 3.42 H new ATOM 0 HG LEU A 10 -4.904 -13.178 -5.479 1.00 71.44 H new ATOM 0 HD11 LEU A 10 -5.550 -10.788 -5.249 1.00 71.13 H new ATOM 0 HD12 LEU A 10 -5.441 -11.597 -3.668 1.00 71.13 H new ATOM 0 HD13 LEU A 10 -4.132 -10.518 -4.208 1.00 71.13 H new ATOM 0 HD21 LEU A 10 -4.160 -11.505 -7.122 1.00 23.11 H new ATOM 0 HD22 LEU A 10 -2.681 -11.237 -6.169 1.00 23.11 H new ATOM 0 HD23 LEU A 10 -2.978 -12.821 -6.924 1.00 23.11 H new ATOM 173 N PHE A 11 -4.353 -15.864 -4.595 1.00 44.42 N ATOM 174 CA PHE A 11 -5.345 -16.766 -5.143 1.00 42.24 C ATOM 175 C PHE A 11 -6.736 -16.269 -4.786 1.00 53.44 C ATOM 176 O PHE A 11 -7.016 -15.953 -3.630 1.00 30.45 O ATOM 177 CB PHE A 11 -5.133 -18.188 -4.617 1.00 44.13 C ATOM 178 CG PHE A 11 -6.006 -19.214 -5.281 1.00 70.43 C ATOM 179 CD1 PHE A 11 -5.690 -19.697 -6.539 1.00 65.00 C ATOM 180 CD2 PHE A 11 -7.135 -19.701 -4.643 1.00 23.31 C ATOM 181 CE1 PHE A 11 -6.486 -20.645 -7.153 1.00 60.30 C ATOM 182 CE2 PHE A 11 -7.936 -20.646 -5.253 1.00 75.22 C ATOM 183 CZ PHE A 11 -7.608 -21.121 -6.508 1.00 34.42 C ATOM 0 H PHE A 11 -4.427 -15.718 -3.588 1.00 44.42 H new ATOM 0 HA PHE A 11 -5.241 -16.790 -6.228 1.00 42.24 H new ATOM 0 HB2 PHE A 11 -4.089 -18.466 -4.758 1.00 44.13 H new ATOM 0 HB3 PHE A 11 -5.324 -18.201 -3.544 1.00 44.13 H new ATOM 0 HD1 PHE A 11 -4.811 -19.329 -7.047 1.00 65.00 H new ATOM 0 HD2 PHE A 11 -7.391 -19.338 -3.659 1.00 23.31 H new ATOM 0 HE1 PHE A 11 -6.230 -21.012 -8.136 1.00 60.30 H new ATOM 0 HE2 PHE A 11 -8.818 -21.013 -4.749 1.00 75.22 H new ATOM 0 HZ PHE A 11 -8.230 -21.865 -6.984 1.00 34.42 H new ATOM 193 N GLU A 12 -7.591 -16.181 -5.785 1.00 22.43 N ATOM 194 CA GLU A 12 -8.947 -15.701 -5.593 1.00 2.22 C ATOM 195 C GLU A 12 -9.922 -16.872 -5.555 1.00 44.13 C ATOM 196 O GLU A 12 -10.094 -17.580 -6.551 1.00 55.20 O ATOM 197 CB GLU A 12 -9.317 -14.741 -6.723 1.00 73.40 C ATOM 198 CG GLU A 12 -8.348 -13.577 -6.875 1.00 10.52 C ATOM 199 CD GLU A 12 -8.633 -12.746 -8.108 1.00 15.24 C ATOM 200 OE1 GLU A 12 -7.832 -12.794 -9.067 1.00 21.31 O ATOM 201 OE2 GLU A 12 -9.672 -12.056 -8.140 1.00 63.00 O ATOM 0 H GLU A 12 -7.369 -16.438 -6.747 1.00 22.43 H new ATOM 0 HA GLU A 12 -9.006 -15.172 -4.642 1.00 2.22 H new ATOM 0 HB2 GLU A 12 -9.356 -15.295 -7.661 1.00 73.40 H new ATOM 0 HB3 GLU A 12 -10.318 -14.349 -6.542 1.00 73.40 H new ATOM 0 HG2 GLU A 12 -8.406 -12.942 -5.991 1.00 10.52 H new ATOM 0 HG3 GLU A 12 -7.329 -13.960 -6.926 1.00 10.52 H new ATOM 208 N VAL A 13 -10.555 -17.076 -4.412 1.00 55.02 N ATOM 209 CA VAL A 13 -11.483 -18.184 -4.242 1.00 64.33 C ATOM 210 C VAL A 13 -12.738 -17.713 -3.509 1.00 43.14 C ATOM 211 O VAL A 13 -12.701 -16.735 -2.767 1.00 62.40 O ATOM 212 CB VAL A 13 -10.817 -19.359 -3.477 1.00 73.23 C ATOM 213 CG1 VAL A 13 -10.473 -18.962 -2.051 1.00 64.02 C ATOM 214 CG2 VAL A 13 -11.696 -20.605 -3.491 1.00 33.14 C ATOM 0 H VAL A 13 -10.444 -16.488 -3.586 1.00 55.02 H new ATOM 0 HA VAL A 13 -11.766 -18.545 -5.231 1.00 64.33 H new ATOM 0 HB VAL A 13 -9.889 -19.598 -3.997 1.00 73.23 H new ATOM 0 HG11 VAL A 13 -10.008 -19.805 -1.541 1.00 64.02 H new ATOM 0 HG12 VAL A 13 -9.781 -18.120 -2.065 1.00 64.02 H new ATOM 0 HG13 VAL A 13 -11.383 -18.676 -1.524 1.00 64.02 H new ATOM 0 HG21 VAL A 13 -11.198 -21.407 -2.946 1.00 33.14 H new ATOM 0 HG22 VAL A 13 -12.651 -20.382 -3.016 1.00 33.14 H new ATOM 0 HG23 VAL A 13 -11.868 -20.918 -4.521 1.00 33.14 H new ATOM 224 N GLU A 14 -13.853 -18.384 -3.742 1.00 14.31 N ATOM 225 CA GLU A 14 -15.105 -18.009 -3.108 1.00 3.01 C ATOM 226 C GLU A 14 -15.431 -18.940 -1.948 1.00 55.34 C ATOM 227 O GLU A 14 -14.967 -20.079 -1.900 1.00 62.43 O ATOM 228 CB GLU A 14 -16.238 -18.014 -4.134 1.00 65.41 C ATOM 229 CG GLU A 14 -16.054 -16.973 -5.225 1.00 55.41 C ATOM 230 CD GLU A 14 -17.150 -17.008 -6.263 1.00 14.34 C ATOM 231 OE1 GLU A 14 -18.202 -16.377 -6.043 1.00 32.32 O ATOM 232 OE2 GLU A 14 -16.958 -17.658 -7.313 1.00 5.31 O ATOM 0 H GLU A 14 -13.917 -19.190 -4.364 1.00 14.31 H new ATOM 0 HA GLU A 14 -14.997 -17.001 -2.708 1.00 3.01 H new ATOM 0 HB2 GLU A 14 -16.304 -19.002 -4.589 1.00 65.41 H new ATOM 0 HB3 GLU A 14 -17.184 -17.834 -3.623 1.00 65.41 H new ATOM 0 HG2 GLU A 14 -16.021 -15.982 -4.772 1.00 55.41 H new ATOM 0 HG3 GLU A 14 -15.093 -17.132 -5.714 1.00 55.41 H new ATOM 239 N GLY A 15 -16.224 -18.440 -1.012 1.00 14.22 N ATOM 240 CA GLY A 15 -16.612 -19.223 0.142 1.00 32.52 C ATOM 241 C GLY A 15 -17.893 -18.707 0.766 1.00 61.41 C ATOM 242 O GLY A 15 -18.580 -17.868 0.180 1.00 20.54 O ATOM 0 H GLY A 15 -16.609 -17.496 -1.033 1.00 14.22 H new ATOM 0 HA2 GLY A 15 -16.745 -20.264 -0.153 1.00 32.52 H new ATOM 0 HA3 GLY A 15 -15.812 -19.201 0.882 1.00 32.52 H new ATOM 246 N ALA A 16 -18.221 -19.196 1.952 1.00 34.22 N ATOM 247 CA ALA A 16 -19.436 -18.775 2.634 1.00 21.32 C ATOM 248 C ALA A 16 -19.125 -18.233 4.020 1.00 24.24 C ATOM 249 O ALA A 16 -18.502 -18.914 4.837 1.00 75.34 O ATOM 250 CB ALA A 16 -20.416 -19.934 2.727 1.00 32.14 C ATOM 0 H ALA A 16 -17.665 -19.883 2.461 1.00 34.22 H new ATOM 0 HA ALA A 16 -19.891 -17.973 2.052 1.00 21.32 H new ATOM 0 HB1 ALA A 16 -21.320 -19.606 3.239 1.00 32.14 H new ATOM 0 HB2 ALA A 16 -20.671 -20.276 1.724 1.00 32.14 H new ATOM 0 HB3 ALA A 16 -19.960 -20.752 3.285 1.00 32.14 H new ATOM 256 N VAL A 17 -19.555 -17.005 4.281 1.00 65.00 N ATOM 257 CA VAL A 17 -19.373 -16.401 5.590 1.00 34.30 C ATOM 258 C VAL A 17 -20.359 -17.010 6.585 1.00 4.22 C ATOM 259 O VAL A 17 -21.575 -16.997 6.365 1.00 3.22 O ATOM 260 CB VAL A 17 -19.522 -14.859 5.541 1.00 34.40 C ATOM 261 CG1 VAL A 17 -20.847 -14.453 4.916 1.00 24.42 C ATOM 262 CG2 VAL A 17 -19.370 -14.256 6.932 1.00 52.15 C ATOM 0 H VAL A 17 -20.031 -16.410 3.603 1.00 65.00 H new ATOM 0 HA VAL A 17 -18.356 -16.613 5.920 1.00 34.30 H new ATOM 0 HB VAL A 17 -18.724 -14.467 4.911 1.00 34.40 H new ATOM 0 HG11 VAL A 17 -20.922 -13.366 4.896 1.00 24.42 H new ATOM 0 HG12 VAL A 17 -20.903 -14.839 3.898 1.00 24.42 H new ATOM 0 HG13 VAL A 17 -21.668 -14.862 5.505 1.00 24.42 H new ATOM 0 HG21 VAL A 17 -19.478 -13.173 6.873 1.00 52.15 H new ATOM 0 HG22 VAL A 17 -20.138 -14.662 7.590 1.00 52.15 H new ATOM 0 HG23 VAL A 17 -18.385 -14.501 7.329 1.00 52.15 H new ATOM 272 N THR A 18 -19.833 -17.575 7.658 1.00 73.10 N ATOM 273 CA THR A 18 -20.660 -18.296 8.607 1.00 35.22 C ATOM 274 C THR A 18 -20.711 -17.591 9.961 1.00 42.31 C ATOM 275 O THR A 18 -21.638 -17.811 10.748 1.00 54.32 O ATOM 276 CB THR A 18 -20.147 -19.744 8.783 1.00 13.21 C ATOM 277 OG1 THR A 18 -21.094 -20.527 9.519 1.00 64.15 O ATOM 278 CG2 THR A 18 -18.796 -19.776 9.490 1.00 11.34 C ATOM 0 H THR A 18 -18.841 -17.548 7.892 1.00 73.10 H new ATOM 0 HA THR A 18 -21.672 -18.322 8.204 1.00 35.22 H new ATOM 0 HB THR A 18 -20.023 -20.169 7.787 1.00 13.21 H new ATOM 0 HG1 THR A 18 -20.643 -21.306 9.908 1.00 64.15 H new ATOM 0 HG21 THR A 18 -18.466 -20.809 9.597 1.00 11.34 H new ATOM 0 HG22 THR A 18 -18.065 -19.220 8.903 1.00 11.34 H new ATOM 0 HG23 THR A 18 -18.891 -19.322 10.476 1.00 11.34 H new ATOM 286 N ALA A 19 -19.724 -16.742 10.226 1.00 41.24 N ATOM 287 CA ALA A 19 -19.640 -16.043 11.499 1.00 2.54 C ATOM 288 C ALA A 19 -18.716 -14.840 11.395 1.00 24.24 C ATOM 289 O ALA A 19 -17.923 -14.732 10.455 1.00 21.10 O ATOM 290 CB ALA A 19 -19.144 -16.985 12.587 1.00 43.13 C ATOM 0 H ALA A 19 -18.971 -16.522 9.574 1.00 41.24 H new ATOM 0 HA ALA A 19 -20.638 -15.692 11.760 1.00 2.54 H new ATOM 0 HB1 ALA A 19 -19.086 -16.449 13.534 1.00 43.13 H new ATOM 0 HB2 ALA A 19 -19.835 -17.822 12.686 1.00 43.13 H new ATOM 0 HB3 ALA A 19 -18.156 -17.360 12.321 1.00 43.13 H new ATOM 296 N LEU A 20 -18.821 -13.941 12.360 1.00 5.24 N ATOM 297 CA LEU A 20 -17.932 -12.796 12.431 1.00 1.24 C ATOM 298 C LEU A 20 -17.332 -12.699 13.823 1.00 63.22 C ATOM 299 O LEU A 20 -17.989 -12.999 14.818 1.00 72.30 O ATOM 300 CB LEU A 20 -18.650 -11.484 12.072 1.00 42.44 C ATOM 301 CG LEU A 20 -19.637 -10.930 13.115 1.00 32.23 C ATOM 302 CD1 LEU A 20 -19.982 -9.481 12.802 1.00 70.04 C ATOM 303 CD2 LEU A 20 -20.906 -11.766 13.160 1.00 23.10 C ATOM 0 H LEU A 20 -19.515 -13.984 13.106 1.00 5.24 H new ATOM 0 HA LEU A 20 -17.140 -12.944 11.697 1.00 1.24 H new ATOM 0 HB2 LEU A 20 -17.893 -10.723 11.881 1.00 42.44 H new ATOM 0 HB3 LEU A 20 -19.191 -11.636 11.138 1.00 42.44 H new ATOM 0 HG LEU A 20 -19.156 -10.978 14.092 1.00 32.23 H new ATOM 0 HD11 LEU A 20 -20.681 -9.104 13.549 1.00 70.04 H new ATOM 0 HD12 LEU A 20 -19.074 -8.879 12.819 1.00 70.04 H new ATOM 0 HD13 LEU A 20 -20.439 -9.421 11.814 1.00 70.04 H new ATOM 0 HD21 LEU A 20 -21.587 -11.354 13.905 1.00 23.10 H new ATOM 0 HD22 LEU A 20 -21.386 -11.751 12.182 1.00 23.10 H new ATOM 0 HD23 LEU A 20 -20.656 -12.793 13.426 1.00 23.10 H new ATOM 315 N LEU A 21 -16.084 -12.293 13.887 1.00 32.01 N ATOM 316 CA LEU A 21 -15.402 -12.150 15.156 1.00 40.11 C ATOM 317 C LEU A 21 -15.479 -10.700 15.607 1.00 61.44 C ATOM 318 O LEU A 21 -15.463 -9.789 14.777 1.00 5.14 O ATOM 319 CB LEU A 21 -13.931 -12.590 15.047 1.00 22.11 C ATOM 320 CG LEU A 21 -13.686 -14.087 14.808 1.00 23.41 C ATOM 321 CD1 LEU A 21 -14.062 -14.493 13.391 1.00 2.45 C ATOM 322 CD2 LEU A 21 -12.233 -14.431 15.085 1.00 15.45 C ATOM 0 H LEU A 21 -15.518 -12.055 13.073 1.00 32.01 H new ATOM 0 HA LEU A 21 -15.891 -12.791 15.889 1.00 40.11 H new ATOM 0 HB2 LEU A 21 -13.466 -12.033 14.233 1.00 22.11 H new ATOM 0 HB3 LEU A 21 -13.418 -12.301 15.965 1.00 22.11 H new ATOM 0 HG LEU A 21 -14.323 -14.644 15.495 1.00 23.41 H new ATOM 0 HD11 LEU A 21 -13.876 -15.559 13.256 1.00 2.45 H new ATOM 0 HD12 LEU A 21 -15.118 -14.285 13.221 1.00 2.45 H new ATOM 0 HD13 LEU A 21 -13.461 -13.927 12.679 1.00 2.45 H new ATOM 0 HD21 LEU A 21 -12.072 -15.495 14.912 1.00 15.45 H new ATOM 0 HD22 LEU A 21 -11.589 -13.854 14.421 1.00 15.45 H new ATOM 0 HD23 LEU A 21 -11.993 -14.191 16.121 1.00 15.45 H new ATOM 334 N PRO A 22 -15.554 -10.458 16.927 1.00 31.35 N ATOM 335 CA PRO A 22 -15.589 -9.099 17.487 1.00 54.51 C ATOM 336 C PRO A 22 -14.241 -8.387 17.356 1.00 51.03 C ATOM 337 O PRO A 22 -13.956 -7.425 18.070 1.00 23.23 O ATOM 338 CB PRO A 22 -15.937 -9.331 18.959 1.00 34.44 C ATOM 339 CG PRO A 22 -15.448 -10.705 19.251 1.00 32.50 C ATOM 340 CD PRO A 22 -15.632 -11.489 17.980 1.00 20.34 C ATOM 0 HA PRO A 22 -16.300 -8.458 16.967 1.00 54.51 H new ATOM 0 HB2 PRO A 22 -15.454 -8.594 19.601 1.00 34.44 H new ATOM 0 HB3 PRO A 22 -17.010 -9.248 19.130 1.00 34.44 H new ATOM 0 HG2 PRO A 22 -14.401 -10.691 19.552 1.00 32.50 H new ATOM 0 HG3 PRO A 22 -16.010 -11.153 20.071 1.00 32.50 H new ATOM 0 HD2 PRO A 22 -14.857 -12.246 17.859 1.00 20.34 H new ATOM 0 HD3 PRO A 22 -16.590 -12.008 17.964 1.00 20.34 H new ATOM 348 N ALA A 23 -13.426 -8.872 16.432 1.00 75.21 N ATOM 349 CA ALA A 23 -12.127 -8.297 16.155 1.00 61.22 C ATOM 350 C ALA A 23 -12.147 -7.610 14.795 1.00 21.43 C ATOM 351 O ALA A 23 -11.099 -7.359 14.201 1.00 0.15 O ATOM 352 CB ALA A 23 -11.064 -9.386 16.186 1.00 71.11 C ATOM 0 H ALA A 23 -13.652 -9.680 15.852 1.00 75.21 H new ATOM 0 HA ALA A 23 -11.889 -7.555 16.918 1.00 61.22 H new ATOM 0 HB1 ALA A 23 -10.088 -8.948 15.977 1.00 71.11 H new ATOM 0 HB2 ALA A 23 -11.049 -9.852 17.171 1.00 71.11 H new ATOM 0 HB3 ALA A 23 -11.293 -10.139 15.432 1.00 71.11 H new ATOM 358 N ALA A 24 -13.362 -7.323 14.313 1.00 12.52 N ATOM 359 CA ALA A 24 -13.574 -6.644 13.032 1.00 62.01 C ATOM 360 C ALA A 24 -13.125 -7.517 11.865 1.00 73.50 C ATOM 361 O ALA A 24 -12.735 -7.018 10.806 1.00 75.10 O ATOM 362 CB ALA A 24 -12.863 -5.297 13.005 1.00 71.25 C ATOM 0 H ALA A 24 -14.226 -7.556 14.802 1.00 12.52 H new ATOM 0 HA ALA A 24 -14.644 -6.465 12.924 1.00 62.01 H new ATOM 0 HB1 ALA A 24 -13.036 -4.813 12.044 1.00 71.25 H new ATOM 0 HB2 ALA A 24 -13.250 -4.665 13.804 1.00 71.25 H new ATOM 0 HB3 ALA A 24 -11.793 -5.447 13.148 1.00 71.25 H new ATOM 368 N GLU A 25 -13.205 -8.824 12.056 1.00 71.33 N ATOM 369 CA GLU A 25 -12.852 -9.771 11.012 1.00 54.04 C ATOM 370 C GLU A 25 -13.879 -10.898 10.949 1.00 11.52 C ATOM 371 O GLU A 25 -14.503 -11.239 11.952 1.00 43.13 O ATOM 372 CB GLU A 25 -11.432 -10.318 11.228 1.00 73.50 C ATOM 373 CG GLU A 25 -11.190 -10.936 12.597 1.00 14.32 C ATOM 374 CD GLU A 25 -9.728 -11.273 12.834 1.00 70.21 C ATOM 375 OE1 GLU A 25 -9.317 -12.421 12.551 1.00 10.01 O ATOM 376 OE2 GLU A 25 -8.981 -10.394 13.313 1.00 23.32 O ATOM 0 H GLU A 25 -13.513 -9.254 12.928 1.00 71.33 H new ATOM 0 HA GLU A 25 -12.861 -9.252 10.053 1.00 54.04 H new ATOM 0 HB2 GLU A 25 -11.226 -11.068 10.464 1.00 73.50 H new ATOM 0 HB3 GLU A 25 -10.719 -9.507 11.079 1.00 73.50 H new ATOM 0 HG2 GLU A 25 -11.530 -10.245 13.369 1.00 14.32 H new ATOM 0 HG3 GLU A 25 -11.788 -11.842 12.694 1.00 14.32 H new ATOM 383 N PHE A 26 -14.052 -11.463 9.765 1.00 11.44 N ATOM 384 CA PHE A 26 -15.078 -12.470 9.521 1.00 13.30 C ATOM 385 C PHE A 26 -14.442 -13.839 9.343 1.00 70.33 C ATOM 386 O PHE A 26 -13.241 -13.946 9.120 1.00 22.41 O ATOM 387 CB PHE A 26 -15.886 -12.124 8.262 1.00 31.23 C ATOM 388 CG PHE A 26 -16.602 -10.805 8.325 1.00 13.03 C ATOM 389 CD1 PHE A 26 -17.895 -10.729 8.814 1.00 73.34 C ATOM 390 CD2 PHE A 26 -15.988 -9.644 7.882 1.00 10.13 C ATOM 391 CE1 PHE A 26 -18.562 -9.521 8.864 1.00 41.43 C ATOM 392 CE2 PHE A 26 -16.650 -8.432 7.931 1.00 2.13 C ATOM 393 CZ PHE A 26 -17.939 -8.371 8.421 1.00 23.23 C ATOM 0 H PHE A 26 -13.487 -11.239 8.946 1.00 11.44 H new ATOM 0 HA PHE A 26 -15.745 -12.487 10.383 1.00 13.30 H new ATOM 0 HB2 PHE A 26 -15.213 -12.117 7.404 1.00 31.23 H new ATOM 0 HB3 PHE A 26 -16.618 -12.913 8.087 1.00 31.23 H new ATOM 0 HD1 PHE A 26 -18.388 -11.625 9.161 1.00 73.34 H new ATOM 0 HD2 PHE A 26 -14.981 -9.687 7.494 1.00 10.13 H new ATOM 0 HE1 PHE A 26 -19.570 -9.476 9.249 1.00 41.43 H new ATOM 0 HE2 PHE A 26 -16.159 -7.534 7.586 1.00 2.13 H new ATOM 0 HZ PHE A 26 -18.459 -7.425 8.458 1.00 23.23 H new ATOM 403 N ARG A 27 -15.236 -14.890 9.448 1.00 24.13 N ATOM 404 CA ARG A 27 -14.733 -16.224 9.176 1.00 43.30 C ATOM 405 C ARG A 27 -15.613 -16.922 8.147 1.00 72.03 C ATOM 406 O ARG A 27 -16.843 -16.949 8.277 1.00 52.54 O ATOM 407 CB ARG A 27 -14.649 -17.060 10.452 1.00 5.13 C ATOM 408 CG ARG A 27 -13.328 -17.793 10.575 1.00 4.41 C ATOM 409 CD ARG A 27 -13.430 -18.997 11.496 1.00 73.33 C ATOM 410 NE ARG A 27 -12.223 -19.816 11.447 1.00 15.14 N ATOM 411 CZ ARG A 27 -12.230 -21.146 11.383 1.00 74.43 C ATOM 412 NH1 ARG A 27 -13.375 -21.818 11.440 1.00 52.12 N ATOM 413 NH2 ARG A 27 -11.087 -21.809 11.277 1.00 22.55 N ATOM 0 H ARG A 27 -16.219 -14.847 9.716 1.00 24.13 H new ATOM 0 HA ARG A 27 -13.725 -16.124 8.774 1.00 43.30 H new ATOM 0 HB2 ARG A 27 -14.784 -16.412 11.318 1.00 5.13 H new ATOM 0 HB3 ARG A 27 -15.465 -17.782 10.465 1.00 5.13 H new ATOM 0 HG2 ARG A 27 -13.000 -18.118 9.588 1.00 4.41 H new ATOM 0 HG3 ARG A 27 -12.568 -17.110 10.954 1.00 4.41 H new ATOM 0 HD2 ARG A 27 -13.600 -18.660 12.519 1.00 73.33 H new ATOM 0 HD3 ARG A 27 -14.292 -19.601 11.212 1.00 73.33 H new ATOM 0 HE ARG A 27 -11.320 -19.341 11.463 1.00 15.14 H new ATOM 0 HH11 ARG A 27 -14.257 -21.315 11.533 1.00 52.12 H new ATOM 0 HH12 ARG A 27 -13.371 -22.837 11.390 1.00 52.12 H new ATOM 0 HH21 ARG A 27 -10.203 -21.300 11.245 1.00 22.55 H new ATOM 0 HH22 ARG A 27 -11.091 -22.828 11.228 1.00 22.55 H new ATOM 427 N VAL A 28 -14.981 -17.479 7.124 1.00 61.13 N ATOM 428 CA VAL A 28 -15.706 -18.119 6.037 1.00 25.12 C ATOM 429 C VAL A 28 -15.218 -19.548 5.827 1.00 71.54 C ATOM 430 O VAL A 28 -14.044 -19.855 6.050 1.00 24.41 O ATOM 431 CB VAL A 28 -15.567 -17.331 4.709 1.00 0.43 C ATOM 432 CG1 VAL A 28 -16.006 -15.887 4.889 1.00 42.20 C ATOM 433 CG2 VAL A 28 -14.142 -17.391 4.175 1.00 63.42 C ATOM 0 H VAL A 28 -13.966 -17.500 7.024 1.00 61.13 H new ATOM 0 HA VAL A 28 -16.758 -18.132 6.323 1.00 25.12 H new ATOM 0 HB VAL A 28 -16.221 -17.803 3.976 1.00 0.43 H new ATOM 0 HG11 VAL A 28 -15.900 -15.354 3.944 1.00 42.20 H new ATOM 0 HG12 VAL A 28 -17.049 -15.860 5.205 1.00 42.20 H new ATOM 0 HG13 VAL A 28 -15.385 -15.410 5.647 1.00 42.20 H new ATOM 0 HG21 VAL A 28 -14.079 -16.829 3.243 1.00 63.42 H new ATOM 0 HG22 VAL A 28 -13.461 -16.958 4.907 1.00 63.42 H new ATOM 0 HG23 VAL A 28 -13.866 -18.429 3.992 1.00 63.42 H new ATOM 443 N LYS A 29 -16.124 -20.425 5.426 1.00 23.35 N ATOM 444 CA LYS A 29 -15.752 -21.788 5.092 1.00 14.22 C ATOM 445 C LYS A 29 -16.382 -22.186 3.766 1.00 50.45 C ATOM 446 O LYS A 29 -17.496 -21.768 3.445 1.00 52.35 O ATOM 447 CB LYS A 29 -16.139 -22.783 6.201 1.00 51.12 C ATOM 448 CG LYS A 29 -17.527 -23.400 6.071 1.00 15.05 C ATOM 449 CD LYS A 29 -18.627 -22.462 6.535 1.00 10.21 C ATOM 450 CE LYS A 29 -19.989 -23.132 6.435 1.00 33.34 C ATOM 451 NZ LYS A 29 -21.045 -22.355 7.133 1.00 43.03 N1+ ATOM 0 H LYS A 29 -17.118 -20.218 5.325 1.00 23.35 H new ATOM 0 HA LYS A 29 -14.667 -21.824 4.999 1.00 14.22 H new ATOM 0 HB2 LYS A 29 -15.403 -23.587 6.218 1.00 51.12 H new ATOM 0 HB3 LYS A 29 -16.075 -22.273 7.162 1.00 51.12 H new ATOM 0 HG2 LYS A 29 -17.703 -23.674 5.031 1.00 15.05 H new ATOM 0 HG3 LYS A 29 -17.568 -24.320 6.655 1.00 15.05 H new ATOM 0 HD2 LYS A 29 -18.441 -22.159 7.565 1.00 10.21 H new ATOM 0 HD3 LYS A 29 -18.618 -21.556 5.929 1.00 10.21 H new ATOM 0 HE2 LYS A 29 -20.259 -23.249 5.385 1.00 33.34 H new ATOM 0 HE3 LYS A 29 -19.933 -24.133 6.863 1.00 33.34 H new ATOM 0 HZ1 LYS A 29 -21.938 -22.887 7.113 1.00 43.03 H new ATOM 0 HZ2 LYS A 29 -20.761 -22.192 8.120 1.00 43.03 H new ATOM 0 HZ3 LYS A 29 -21.176 -21.441 6.655 1.00 43.03 H new ATOM 465 N LEU A 30 -15.644 -22.941 2.975 1.00 13.25 N ATOM 466 CA LEU A 30 -16.181 -23.491 1.745 1.00 10.23 C ATOM 467 C LEU A 30 -16.957 -24.763 2.071 1.00 4.44 C ATOM 468 O LEU A 30 -16.713 -25.385 3.108 1.00 53.21 O ATOM 469 CB LEU A 30 -15.048 -23.789 0.754 1.00 44.35 C ATOM 470 CG LEU A 30 -15.500 -24.213 -0.647 1.00 53.31 C ATOM 471 CD1 LEU A 30 -16.292 -23.099 -1.315 1.00 43.54 C ATOM 472 CD2 LEU A 30 -14.301 -24.598 -1.498 1.00 53.22 C ATOM 0 H LEU A 30 -14.672 -23.187 3.162 1.00 13.25 H new ATOM 0 HA LEU A 30 -16.850 -22.767 1.281 1.00 10.23 H new ATOM 0 HB2 LEU A 30 -14.424 -22.900 0.663 1.00 44.35 H new ATOM 0 HB3 LEU A 30 -14.421 -24.578 1.170 1.00 44.35 H new ATOM 0 HG LEU A 30 -16.149 -25.083 -0.550 1.00 53.31 H new ATOM 0 HD11 LEU A 30 -16.604 -23.420 -2.309 1.00 43.54 H new ATOM 0 HD12 LEU A 30 -17.172 -22.868 -0.715 1.00 43.54 H new ATOM 0 HD13 LEU A 30 -15.668 -22.209 -1.400 1.00 43.54 H new ATOM 0 HD21 LEU A 30 -14.640 -24.897 -2.490 1.00 53.22 H new ATOM 0 HD22 LEU A 30 -13.628 -23.745 -1.586 1.00 53.22 H new ATOM 0 HD23 LEU A 30 -13.774 -25.429 -1.029 1.00 53.22 H new ATOM 484 N ASP A 31 -17.871 -25.163 1.188 1.00 4.41 N ATOM 485 CA ASP A 31 -18.683 -26.365 1.408 1.00 15.44 C ATOM 486 C ASP A 31 -17.812 -27.618 1.388 1.00 12.31 C ATOM 487 O ASP A 31 -18.282 -28.727 1.633 1.00 52.51 O ATOM 488 CB ASP A 31 -19.789 -26.482 0.354 1.00 2.20 C ATOM 489 CG ASP A 31 -20.765 -25.324 0.398 1.00 54.43 C ATOM 490 OD1 ASP A 31 -21.639 -25.308 1.292 1.00 61.11 O ATOM 491 OD2 ASP A 31 -20.656 -24.418 -0.459 1.00 72.34 O ATOM 0 H ASP A 31 -18.070 -24.675 0.314 1.00 4.41 H new ATOM 0 HA ASP A 31 -19.147 -26.275 2.390 1.00 15.44 H new ATOM 0 HB2 ASP A 31 -19.337 -26.533 -0.637 1.00 2.20 H new ATOM 0 HB3 ASP A 31 -20.332 -27.415 0.505 1.00 2.20 H new ATOM 496 N ASN A 32 -16.532 -27.420 1.104 1.00 71.14 N ATOM 497 CA ASN A 32 -15.548 -28.495 1.113 1.00 35.34 C ATOM 498 C ASN A 32 -15.072 -28.766 2.547 1.00 2.05 C ATOM 499 O ASN A 32 -14.105 -29.493 2.767 1.00 62.24 O ATOM 500 CB ASN A 32 -14.369 -28.106 0.211 1.00 3.02 C ATOM 501 CG ASN A 32 -13.426 -29.259 -0.088 1.00 31.25 C ATOM 502 OD1 ASN A 32 -12.437 -29.472 0.616 1.00 51.54 O ATOM 503 ND2 ASN A 32 -13.722 -30.000 -1.142 1.00 70.53 N ATOM 0 H ASN A 32 -16.146 -26.508 0.860 1.00 71.14 H new ATOM 0 HA ASN A 32 -16.001 -29.410 0.731 1.00 35.34 H new ATOM 0 HB2 ASN A 32 -14.756 -27.711 -0.728 1.00 3.02 H new ATOM 0 HB3 ASN A 32 -13.807 -27.302 0.687 1.00 3.02 H new ATOM 0 HD21 ASN A 32 -13.121 -30.783 -1.400 1.00 70.53 H new ATOM 0 HD22 ASN A 32 -14.551 -29.789 -1.698 1.00 70.53 H new ATOM 510 N GLU A 33 -15.761 -28.154 3.513 1.00 13.44 N ATOM 511 CA GLU A 33 -15.486 -28.351 4.938 1.00 23.24 C ATOM 512 C GLU A 33 -14.102 -27.850 5.324 1.00 32.23 C ATOM 513 O GLU A 33 -13.446 -28.402 6.208 1.00 73.31 O ATOM 514 CB GLU A 33 -15.653 -29.821 5.325 1.00 22.33 C ATOM 515 CG GLU A 33 -17.105 -30.251 5.420 1.00 34.24 C ATOM 516 CD GLU A 33 -17.866 -29.486 6.485 1.00 12.32 C ATOM 517 OE1 GLU A 33 -17.880 -29.935 7.651 1.00 21.20 O ATOM 518 OE2 GLU A 33 -18.451 -28.434 6.162 1.00 13.52 O ATOM 0 H GLU A 33 -16.527 -27.506 3.328 1.00 13.44 H new ATOM 0 HA GLU A 33 -16.214 -27.759 5.492 1.00 23.24 H new ATOM 0 HB2 GLU A 33 -15.143 -30.444 4.590 1.00 22.33 H new ATOM 0 HB3 GLU A 33 -15.165 -29.996 6.284 1.00 22.33 H new ATOM 0 HG2 GLU A 33 -17.589 -30.103 4.455 1.00 34.24 H new ATOM 0 HG3 GLU A 33 -17.152 -31.318 5.640 1.00 34.24 H new ATOM 525 N HIS A 34 -13.671 -26.791 4.667 1.00 53.51 N ATOM 526 CA HIS A 34 -12.416 -26.143 5.006 1.00 71.33 C ATOM 527 C HIS A 34 -12.655 -24.670 5.286 1.00 25.11 C ATOM 528 O HIS A 34 -13.163 -23.933 4.435 1.00 43.14 O ATOM 529 CB HIS A 34 -11.382 -26.340 3.895 1.00 5.44 C ATOM 530 CG HIS A 34 -10.739 -27.693 3.931 1.00 42.44 C ATOM 531 ND1 HIS A 34 -11.106 -28.736 3.104 1.00 50.40 N ATOM 532 CD2 HIS A 34 -9.754 -28.175 4.723 1.00 70.22 C ATOM 533 CE1 HIS A 34 -10.376 -29.797 3.392 1.00 23.30 C ATOM 534 NE2 HIS A 34 -9.548 -29.484 4.370 1.00 1.44 N1+ ATOM 0 H HIS A 34 -14.173 -26.358 3.892 1.00 53.51 H new ATOM 0 HA HIS A 34 -12.013 -26.603 5.908 1.00 71.33 H new ATOM 0 HB2 HIS A 34 -11.864 -26.198 2.928 1.00 5.44 H new ATOM 0 HB3 HIS A 34 -10.611 -25.574 3.983 1.00 5.44 H new ATOM 0 HD1 HIS A 34 -11.827 -28.693 2.384 1.00 50.40 H new ATOM 0 HD2 HIS A 34 -9.227 -27.629 5.492 1.00 70.22 H new ATOM 0 HE1 HIS A 34 -10.445 -30.760 2.908 1.00 23.30 H new ATOM 543 N GLU A 35 -12.306 -24.258 6.491 1.00 33.54 N ATOM 544 CA GLU A 35 -12.596 -22.920 6.972 1.00 1.13 C ATOM 545 C GLU A 35 -11.328 -22.097 7.159 1.00 43.14 C ATOM 546 O GLU A 35 -10.282 -22.619 7.549 1.00 2.50 O ATOM 547 CB GLU A 35 -13.377 -22.992 8.292 1.00 10.22 C ATOM 548 CG GLU A 35 -13.322 -24.353 8.992 1.00 55.43 C ATOM 549 CD GLU A 35 -11.925 -24.760 9.428 1.00 65.14 C ATOM 550 OE1 GLU A 35 -11.498 -24.346 10.526 1.00 23.35 O ATOM 551 OE2 GLU A 35 -11.253 -25.504 8.677 1.00 22.23 O ATOM 0 H GLU A 35 -11.812 -24.843 7.165 1.00 33.54 H new ATOM 0 HA GLU A 35 -13.204 -22.422 6.216 1.00 1.13 H new ATOM 0 HB2 GLU A 35 -12.988 -22.233 8.971 1.00 10.22 H new ATOM 0 HB3 GLU A 35 -14.419 -22.741 8.096 1.00 10.22 H new ATOM 0 HG2 GLU A 35 -13.973 -24.329 9.866 1.00 55.43 H new ATOM 0 HG3 GLU A 35 -13.719 -25.114 8.320 1.00 55.43 H new ATOM 558 N ILE A 36 -11.435 -20.808 6.869 1.00 54.14 N ATOM 559 CA ILE A 36 -10.340 -19.867 7.062 1.00 44.23 C ATOM 560 C ILE A 36 -10.875 -18.579 7.668 1.00 54.11 C ATOM 561 O ILE A 36 -12.087 -18.367 7.721 1.00 5.35 O ATOM 562 CB ILE A 36 -9.607 -19.533 5.741 1.00 41.43 C ATOM 563 CG1 ILE A 36 -10.603 -19.048 4.681 1.00 15.53 C ATOM 564 CG2 ILE A 36 -8.820 -20.738 5.239 1.00 63.24 C ATOM 565 CD1 ILE A 36 -9.949 -18.603 3.390 1.00 73.41 C ATOM 0 H ILE A 36 -12.284 -20.385 6.493 1.00 54.14 H new ATOM 0 HA ILE A 36 -9.623 -20.342 7.731 1.00 44.23 H new ATOM 0 HB ILE A 36 -8.899 -18.728 5.936 1.00 41.43 H new ATOM 0 HG12 ILE A 36 -11.308 -19.850 4.463 1.00 15.53 H new ATOM 0 HG13 ILE A 36 -11.180 -18.219 5.090 1.00 15.53 H new ATOM 0 HG21 ILE A 36 -8.313 -20.480 4.309 1.00 63.24 H new ATOM 0 HG22 ILE A 36 -8.082 -21.027 5.987 1.00 63.24 H new ATOM 0 HG23 ILE A 36 -9.502 -21.570 5.062 1.00 63.24 H new ATOM 0 HD11 ILE A 36 -10.716 -18.274 2.688 1.00 73.41 H new ATOM 0 HD12 ILE A 36 -9.265 -17.779 3.594 1.00 73.41 H new ATOM 0 HD13 ILE A 36 -9.395 -19.436 2.957 1.00 73.41 H new ATOM 577 N ILE A 37 -9.981 -17.720 8.123 1.00 52.24 N ATOM 578 CA ILE A 37 -10.386 -16.451 8.703 1.00 71.43 C ATOM 579 C ILE A 37 -10.167 -15.339 7.685 1.00 52.11 C ATOM 580 O ILE A 37 -9.267 -15.422 6.854 1.00 30.52 O ATOM 581 CB ILE A 37 -9.608 -16.143 10.005 1.00 20.43 C ATOM 582 CG1 ILE A 37 -9.662 -17.350 10.949 1.00 21.22 C ATOM 583 CG2 ILE A 37 -10.188 -14.912 10.694 1.00 11.52 C ATOM 584 CD1 ILE A 37 -8.905 -17.155 12.245 1.00 61.00 C ATOM 0 H ILE A 37 -8.973 -17.876 8.103 1.00 52.24 H new ATOM 0 HA ILE A 37 -11.443 -16.514 8.961 1.00 71.43 H new ATOM 0 HB ILE A 37 -8.568 -15.940 9.749 1.00 20.43 H new ATOM 0 HG12 ILE A 37 -10.704 -17.571 11.179 1.00 21.22 H new ATOM 0 HG13 ILE A 37 -9.258 -18.220 10.432 1.00 21.22 H new ATOM 0 HG21 ILE A 37 -9.629 -14.709 11.608 1.00 11.52 H new ATOM 0 HG22 ILE A 37 -10.115 -14.053 10.026 1.00 11.52 H new ATOM 0 HG23 ILE A 37 -11.234 -15.092 10.941 1.00 11.52 H new ATOM 0 HD11 ILE A 37 -8.992 -18.053 12.856 1.00 61.00 H new ATOM 0 HD12 ILE A 37 -7.854 -16.965 12.027 1.00 61.00 H new ATOM 0 HD13 ILE A 37 -9.323 -16.306 12.786 1.00 61.00 H new ATOM 596 N CYS A 38 -11.001 -14.319 7.717 1.00 53.50 N ATOM 597 CA CYS A 38 -10.902 -13.242 6.755 1.00 22.21 C ATOM 598 C CYS A 38 -11.098 -11.891 7.432 1.00 42.41 C ATOM 599 O CYS A 38 -11.588 -11.814 8.550 1.00 62.13 O ATOM 600 CB CYS A 38 -11.933 -13.439 5.647 1.00 60.14 C ATOM 601 SG CYS A 38 -11.777 -15.014 4.776 1.00 60.22 S ATOM 0 H CYS A 38 -11.753 -14.214 8.398 1.00 53.50 H new ATOM 0 HA CYS A 38 -9.904 -13.257 6.317 1.00 22.21 H new ATOM 0 HB2 CYS A 38 -12.932 -13.370 6.077 1.00 60.14 H new ATOM 0 HB3 CYS A 38 -11.839 -12.626 4.927 1.00 60.14 H new ATOM 0 HG CYS A 38 -12.693 -15.094 3.857 1.00 60.22 H new ATOM 607 N HIS A 39 -10.700 -10.828 6.757 1.00 22.31 N ATOM 608 CA HIS A 39 -10.858 -9.482 7.286 1.00 52.20 C ATOM 609 C HIS A 39 -11.003 -8.493 6.141 1.00 52.04 C ATOM 610 O HIS A 39 -10.736 -8.830 4.989 1.00 45.40 O ATOM 611 CB HIS A 39 -9.666 -9.101 8.182 1.00 34.42 C ATOM 612 CG HIS A 39 -8.347 -9.003 7.467 1.00 12.44 C ATOM 613 ND1 HIS A 39 -7.654 -10.100 7.002 1.00 74.21 N ATOM 614 CD2 HIS A 39 -7.594 -7.924 7.146 1.00 55.42 C ATOM 615 CE1 HIS A 39 -6.534 -9.701 6.426 1.00 12.23 C ATOM 616 NE2 HIS A 39 -6.476 -8.386 6.499 1.00 43.45 N1+ ATOM 0 H HIS A 39 -10.263 -10.870 5.836 1.00 22.31 H new ATOM 0 HA HIS A 39 -11.759 -9.451 7.898 1.00 52.20 H new ATOM 0 HB2 HIS A 39 -9.878 -8.143 8.657 1.00 34.42 H new ATOM 0 HB3 HIS A 39 -9.578 -9.839 8.979 1.00 34.42 H new ATOM 0 HD2 HIS A 39 -7.830 -6.892 7.360 1.00 55.42 H new ATOM 0 HE1 HIS A 39 -5.793 -10.342 5.973 1.00 12.23 H new ATOM 0 HE2 HIS A 39 -5.721 -7.805 6.133 1.00 43.45 H new ATOM 625 N VAL A 40 -11.425 -7.279 6.451 1.00 50.41 N ATOM 626 CA VAL A 40 -11.571 -6.248 5.431 1.00 45.14 C ATOM 627 C VAL A 40 -10.214 -5.652 5.075 1.00 14.13 C ATOM 628 O VAL A 40 -9.287 -5.676 5.885 1.00 43.21 O ATOM 629 CB VAL A 40 -12.523 -5.117 5.881 1.00 12.50 C ATOM 630 CG1 VAL A 40 -13.930 -5.656 6.093 1.00 45.44 C ATOM 631 CG2 VAL A 40 -12.010 -4.447 7.148 1.00 40.33 C ATOM 0 H VAL A 40 -11.672 -6.981 7.395 1.00 50.41 H new ATOM 0 HA VAL A 40 -12.004 -6.729 4.554 1.00 45.14 H new ATOM 0 HB VAL A 40 -12.556 -4.367 5.091 1.00 12.50 H new ATOM 0 HG11 VAL A 40 -14.586 -4.845 6.410 1.00 45.44 H new ATOM 0 HG12 VAL A 40 -14.301 -6.080 5.160 1.00 45.44 H new ATOM 0 HG13 VAL A 40 -13.912 -6.429 6.861 1.00 45.44 H new ATOM 0 HG21 VAL A 40 -12.697 -3.655 7.444 1.00 40.33 H new ATOM 0 HG22 VAL A 40 -11.941 -5.185 7.947 1.00 40.33 H new ATOM 0 HG23 VAL A 40 -11.024 -4.021 6.961 1.00 40.33 H new ATOM 641 N SER A 41 -10.084 -5.168 3.850 1.00 72.41 N ATOM 642 CA SER A 41 -8.869 -4.490 3.425 1.00 23.32 C ATOM 643 C SER A 41 -9.209 -3.270 2.567 1.00 70.41 C ATOM 644 O SER A 41 -10.373 -2.874 2.497 1.00 73.32 O ATOM 645 CB SER A 41 -7.972 -5.461 2.656 1.00 44.24 C ATOM 646 OG SER A 41 -7.759 -6.650 3.402 1.00 42.40 O ATOM 0 H SER A 41 -10.805 -5.232 3.132 1.00 72.41 H new ATOM 0 HA SER A 41 -8.331 -4.143 4.307 1.00 23.32 H new ATOM 0 HB2 SER A 41 -8.430 -5.705 1.698 1.00 44.24 H new ATOM 0 HB3 SER A 41 -7.015 -4.986 2.440 1.00 44.24 H new ATOM 0 HG SER A 41 -6.989 -7.133 3.036 1.00 42.40 H new ATOM 652 N GLY A 42 -8.181 -2.717 1.914 1.00 70.43 N ATOM 653 CA GLY A 42 -8.275 -1.472 1.148 1.00 21.34 C ATOM 654 C GLY A 42 -9.614 -1.205 0.473 1.00 44.12 C ATOM 655 O GLY A 42 -10.510 -0.606 1.073 1.00 51.20 O ATOM 0 H GLY A 42 -7.248 -3.128 1.903 1.00 70.43 H new ATOM 0 HA2 GLY A 42 -8.055 -0.640 1.816 1.00 21.34 H new ATOM 0 HA3 GLY A 42 -7.499 -1.480 0.382 1.00 21.34 H new ATOM 659 N LYS A 43 -9.724 -1.598 -0.793 1.00 74.32 N ATOM 660 CA LYS A 43 -10.908 -1.310 -1.607 1.00 64.13 C ATOM 661 C LYS A 43 -12.202 -1.759 -0.922 1.00 55.14 C ATOM 662 O LYS A 43 -13.228 -1.088 -1.026 1.00 22.02 O ATOM 663 CB LYS A 43 -10.781 -1.984 -2.979 1.00 61.14 C ATOM 664 CG LYS A 43 -11.921 -1.650 -3.930 1.00 72.52 C ATOM 665 CD LYS A 43 -11.736 -2.309 -5.289 1.00 70.42 C ATOM 666 CE LYS A 43 -11.782 -3.826 -5.193 1.00 61.41 C ATOM 667 NZ LYS A 43 -11.605 -4.467 -6.521 1.00 0.15 N1+ ATOM 0 H LYS A 43 -9.000 -2.123 -1.284 1.00 74.32 H new ATOM 0 HA LYS A 43 -10.961 -0.229 -1.733 1.00 64.13 H new ATOM 0 HB2 LYS A 43 -9.838 -1.684 -3.436 1.00 61.14 H new ATOM 0 HB3 LYS A 43 -10.739 -3.064 -2.841 1.00 61.14 H new ATOM 0 HG2 LYS A 43 -12.865 -1.976 -3.494 1.00 72.52 H new ATOM 0 HG3 LYS A 43 -11.984 -0.569 -4.056 1.00 72.52 H new ATOM 0 HD2 LYS A 43 -12.515 -1.964 -5.969 1.00 70.42 H new ATOM 0 HD3 LYS A 43 -10.781 -2.001 -5.715 1.00 70.42 H new ATOM 0 HE2 LYS A 43 -11.001 -4.171 -4.515 1.00 61.41 H new ATOM 0 HE3 LYS A 43 -12.735 -4.135 -4.764 1.00 61.41 H new ATOM 0 HZ1 LYS A 43 -11.642 -5.501 -6.415 1.00 0.15 H new ATOM 0 HZ2 LYS A 43 -12.365 -4.157 -7.160 1.00 0.15 H new ATOM 0 HZ3 LYS A 43 -10.684 -4.193 -6.919 1.00 0.15 H new ATOM 681 N VAL A 44 -12.139 -2.877 -0.207 1.00 13.34 N ATOM 682 CA VAL A 44 -13.312 -3.436 0.461 1.00 20.12 C ATOM 683 C VAL A 44 -13.947 -2.421 1.412 1.00 73.52 C ATOM 684 O VAL A 44 -15.153 -2.186 1.370 1.00 61.02 O ATOM 685 CB VAL A 44 -12.953 -4.712 1.255 1.00 12.02 C ATOM 686 CG1 VAL A 44 -14.178 -5.273 1.967 1.00 3.13 C ATOM 687 CG2 VAL A 44 -12.347 -5.763 0.336 1.00 64.32 C ATOM 0 H VAL A 44 -11.284 -3.417 -0.074 1.00 13.34 H new ATOM 0 HA VAL A 44 -14.027 -3.690 -0.322 1.00 20.12 H new ATOM 0 HB VAL A 44 -12.214 -4.442 2.009 1.00 12.02 H new ATOM 0 HG11 VAL A 44 -13.899 -6.171 2.519 1.00 3.13 H new ATOM 0 HG12 VAL A 44 -14.569 -4.528 2.660 1.00 3.13 H new ATOM 0 HG13 VAL A 44 -14.944 -5.522 1.232 1.00 3.13 H new ATOM 0 HG21 VAL A 44 -12.101 -6.654 0.914 1.00 64.32 H new ATOM 0 HG22 VAL A 44 -13.064 -6.022 -0.443 1.00 64.32 H new ATOM 0 HG23 VAL A 44 -11.441 -5.367 -0.123 1.00 64.32 H new ATOM 697 N ARG A 45 -13.124 -1.796 2.241 1.00 34.33 N ATOM 698 CA ARG A 45 -13.622 -0.891 3.269 1.00 44.55 C ATOM 699 C ARG A 45 -14.241 0.364 2.647 1.00 54.30 C ATOM 700 O ARG A 45 -15.213 0.909 3.168 1.00 55.44 O ATOM 701 CB ARG A 45 -12.482 -0.524 4.229 1.00 41.30 C ATOM 702 CG ARG A 45 -12.946 -0.003 5.587 1.00 3.02 C ATOM 703 CD ARG A 45 -13.306 1.474 5.554 1.00 22.12 C ATOM 704 NE ARG A 45 -13.867 1.923 6.827 1.00 11.25 N ATOM 705 CZ ARG A 45 -13.317 2.860 7.599 1.00 20.12 C ATOM 706 NH1 ARG A 45 -12.184 3.450 7.237 1.00 1.52 N ATOM 707 NH2 ARG A 45 -13.898 3.207 8.739 1.00 54.32 N ATOM 0 H ARG A 45 -12.109 -1.898 2.223 1.00 34.33 H new ATOM 0 HA ARG A 45 -14.408 -1.396 3.830 1.00 44.55 H new ATOM 0 HB2 ARG A 45 -11.857 -1.403 4.385 1.00 41.30 H new ATOM 0 HB3 ARG A 45 -11.855 0.233 3.757 1.00 41.30 H new ATOM 0 HG2 ARG A 45 -13.812 -0.577 5.916 1.00 3.02 H new ATOM 0 HG3 ARG A 45 -12.158 -0.165 6.323 1.00 3.02 H new ATOM 0 HD2 ARG A 45 -12.417 2.060 5.321 1.00 22.12 H new ATOM 0 HD3 ARG A 45 -14.025 1.655 4.755 1.00 22.12 H new ATOM 0 HE ARG A 45 -14.735 1.492 7.145 1.00 11.25 H new ATOM 0 HH11 ARG A 45 -11.729 3.187 6.363 1.00 1.52 H new ATOM 0 HH12 ARG A 45 -11.769 4.166 7.833 1.00 1.52 H new ATOM 0 HH21 ARG A 45 -14.767 2.757 9.026 1.00 54.32 H new ATOM 0 HH22 ARG A 45 -13.476 3.924 9.329 1.00 54.32 H new ATOM 721 N ARG A 46 -13.695 0.804 1.519 1.00 21.22 N ATOM 722 CA ARG A 46 -14.164 2.030 0.880 1.00 14.53 C ATOM 723 C ARG A 46 -15.358 1.770 -0.040 1.00 41.30 C ATOM 724 O ARG A 46 -16.075 2.700 -0.405 1.00 3.44 O ATOM 725 CB ARG A 46 -13.043 2.705 0.074 1.00 23.41 C ATOM 726 CG ARG A 46 -11.985 3.412 0.914 1.00 44.31 C ATOM 727 CD ARG A 46 -10.973 2.443 1.501 1.00 22.55 C ATOM 728 NE ARG A 46 -9.843 3.142 2.111 1.00 62.40 N ATOM 729 CZ ARG A 46 -8.563 2.910 1.805 1.00 14.13 C ATOM 730 NH1 ARG A 46 -8.250 1.998 0.891 1.00 23.14 N ATOM 731 NH2 ARG A 46 -7.598 3.596 2.406 1.00 21.32 N ATOM 0 H ARG A 46 -12.933 0.335 1.030 1.00 21.22 H new ATOM 0 HA ARG A 46 -14.479 2.696 1.683 1.00 14.53 H new ATOM 0 HB2 ARG A 46 -12.553 1.951 -0.541 1.00 23.41 H new ATOM 0 HB3 ARG A 46 -13.490 3.430 -0.606 1.00 23.41 H new ATOM 0 HG2 ARG A 46 -11.466 4.147 0.298 1.00 44.31 H new ATOM 0 HG3 ARG A 46 -12.471 3.959 1.721 1.00 44.31 H new ATOM 0 HD2 ARG A 46 -11.460 1.817 2.249 1.00 22.55 H new ATOM 0 HD3 ARG A 46 -10.609 1.778 0.717 1.00 22.55 H new ATOM 0 HE ARG A 46 -10.044 3.852 2.815 1.00 62.40 H new ATOM 0 HH11 ARG A 46 -8.987 1.473 0.421 1.00 23.14 H new ATOM 0 HH12 ARG A 46 -7.272 1.823 0.659 1.00 23.14 H new ATOM 0 HH21 ARG A 46 -7.833 4.302 3.103 1.00 21.32 H new ATOM 0 HH22 ARG A 46 -6.622 3.417 2.170 1.00 21.32 H new ATOM 745 N SER A 47 -15.578 0.513 -0.410 1.00 32.55 N ATOM 746 CA SER A 47 -16.620 0.185 -1.382 1.00 35.11 C ATOM 747 C SER A 47 -18.019 0.289 -0.772 1.00 12.44 C ATOM 748 O SER A 47 -19.004 0.459 -1.496 1.00 33.44 O ATOM 749 CB SER A 47 -16.397 -1.217 -1.953 1.00 74.34 C ATOM 750 OG SER A 47 -16.485 -2.204 -0.943 1.00 54.50 O ATOM 0 H SER A 47 -15.056 -0.289 -0.057 1.00 32.55 H new ATOM 0 HA SER A 47 -16.554 0.915 -2.189 1.00 35.11 H new ATOM 0 HB2 SER A 47 -17.138 -1.419 -2.727 1.00 74.34 H new ATOM 0 HB3 SER A 47 -15.417 -1.267 -2.428 1.00 74.34 H new ATOM 0 HG SER A 47 -15.720 -2.120 -0.336 1.00 54.50 H new ATOM 756 N LYS A 48 -18.095 0.184 0.556 1.00 15.23 N ATOM 757 CA LYS A 48 -19.371 0.256 1.276 1.00 32.24 C ATOM 758 C LYS A 48 -20.329 -0.846 0.824 1.00 34.52 C ATOM 759 O LYS A 48 -21.541 -0.639 0.734 1.00 61.12 O ATOM 760 CB LYS A 48 -20.025 1.630 1.091 1.00 43.33 C ATOM 761 CG LYS A 48 -19.323 2.752 1.834 1.00 62.22 C ATOM 762 CD LYS A 48 -20.064 4.065 1.659 1.00 41.21 C ATOM 763 CE LYS A 48 -19.489 5.160 2.540 1.00 31.33 C ATOM 764 NZ LYS A 48 -20.248 6.430 2.397 1.00 25.21 N1+ ATOM 0 H LYS A 48 -17.284 0.048 1.159 1.00 15.23 H new ATOM 0 HA LYS A 48 -19.157 0.109 2.335 1.00 32.24 H new ATOM 0 HB2 LYS A 48 -20.048 1.870 0.028 1.00 43.33 H new ATOM 0 HB3 LYS A 48 -21.060 1.577 1.428 1.00 43.33 H new ATOM 0 HG2 LYS A 48 -19.257 2.506 2.894 1.00 62.22 H new ATOM 0 HG3 LYS A 48 -18.302 2.854 1.466 1.00 62.22 H new ATOM 0 HD2 LYS A 48 -20.013 4.374 0.615 1.00 41.21 H new ATOM 0 HD3 LYS A 48 -21.118 3.922 1.898 1.00 41.21 H new ATOM 0 HE2 LYS A 48 -19.509 4.838 3.581 1.00 31.33 H new ATOM 0 HE3 LYS A 48 -18.444 5.328 2.278 1.00 31.33 H new ATOM 0 HZ1 LYS A 48 -19.829 7.156 3.012 1.00 25.21 H new ATOM 0 HZ2 LYS A 48 -20.208 6.749 1.408 1.00 25.21 H new ATOM 0 HZ3 LYS A 48 -21.239 6.275 2.671 1.00 25.21 H new ATOM 778 N ILE A 49 -19.781 -2.018 0.541 1.00 41.51 N ATOM 779 CA ILE A 49 -20.596 -3.168 0.184 1.00 53.30 C ATOM 780 C ILE A 49 -21.253 -3.768 1.423 1.00 41.31 C ATOM 781 O ILE A 49 -20.840 -3.487 2.549 1.00 41.14 O ATOM 782 CB ILE A 49 -19.774 -4.244 -0.566 1.00 3.43 C ATOM 783 CG1 ILE A 49 -18.380 -4.424 0.055 1.00 55.33 C ATOM 784 CG2 ILE A 49 -19.650 -3.880 -2.040 1.00 30.54 C ATOM 785 CD1 ILE A 49 -18.366 -5.135 1.392 1.00 10.52 C ATOM 0 H ILE A 49 -18.777 -2.197 0.552 1.00 41.51 H new ATOM 0 HA ILE A 49 -21.376 -2.817 -0.492 1.00 53.30 H new ATOM 0 HB ILE A 49 -20.305 -5.192 -0.474 1.00 3.43 H new ATOM 0 HG12 ILE A 49 -17.756 -4.982 -0.643 1.00 55.33 H new ATOM 0 HG13 ILE A 49 -17.923 -3.442 0.177 1.00 55.33 H new ATOM 0 HG21 ILE A 49 -19.070 -4.645 -2.556 1.00 30.54 H new ATOM 0 HG22 ILE A 49 -20.643 -3.817 -2.484 1.00 30.54 H new ATOM 0 HG23 ILE A 49 -19.148 -2.917 -2.136 1.00 30.54 H new ATOM 0 HD11 ILE A 49 -17.340 -5.215 1.751 1.00 10.52 H new ATOM 0 HD12 ILE A 49 -18.959 -4.570 2.111 1.00 10.52 H new ATOM 0 HD13 ILE A 49 -18.789 -6.133 1.278 1.00 10.52 H new ATOM 797 N ARG A 50 -22.276 -4.583 1.223 1.00 73.24 N ATOM 798 CA ARG A 50 -22.992 -5.173 2.343 1.00 60.33 C ATOM 799 C ARG A 50 -22.571 -6.623 2.553 1.00 54.52 C ATOM 800 O ARG A 50 -22.887 -7.495 1.743 1.00 5.04 O ATOM 801 CB ARG A 50 -24.504 -5.104 2.121 1.00 22.01 C ATOM 802 CG ARG A 50 -25.297 -5.484 3.357 1.00 70.23 C ATOM 803 CD ARG A 50 -26.794 -5.495 3.101 1.00 23.42 C ATOM 804 NE ARG A 50 -27.537 -5.678 4.346 1.00 2.40 N ATOM 805 CZ ARG A 50 -28.860 -5.804 4.431 1.00 63.24 C ATOM 806 NH1 ARG A 50 -29.614 -5.801 3.340 1.00 52.12 N ATOM 807 NH2 ARG A 50 -29.422 -5.955 5.622 1.00 44.44 N ATOM 0 H ARG A 50 -22.627 -4.850 0.303 1.00 73.24 H new ATOM 0 HA ARG A 50 -22.740 -4.599 3.235 1.00 60.33 H new ATOM 0 HB2 ARG A 50 -24.776 -4.093 1.817 1.00 22.01 H new ATOM 0 HB3 ARG A 50 -24.777 -5.768 1.301 1.00 22.01 H new ATOM 0 HG2 ARG A 50 -24.982 -6.470 3.699 1.00 70.23 H new ATOM 0 HG3 ARG A 50 -25.073 -4.781 4.160 1.00 70.23 H new ATOM 0 HD2 ARG A 50 -27.093 -4.559 2.629 1.00 23.42 H new ATOM 0 HD3 ARG A 50 -27.042 -6.296 2.404 1.00 23.42 H new ATOM 0 HE ARG A 50 -27.003 -5.712 5.214 1.00 2.40 H new ATOM 0 HH11 ARG A 50 -29.182 -5.701 2.422 1.00 52.12 H new ATOM 0 HH12 ARG A 50 -30.626 -5.898 3.419 1.00 52.12 H new ATOM 0 HH21 ARG A 50 -28.842 -5.974 6.461 1.00 44.44 H new ATOM 0 HH22 ARG A 50 -30.434 -6.052 5.700 1.00 44.44 H new ATOM 821 N ILE A 51 -21.843 -6.869 3.633 1.00 53.10 N ATOM 822 CA ILE A 51 -21.458 -8.223 4.002 1.00 43.55 C ATOM 823 C ILE A 51 -22.481 -8.803 4.970 1.00 34.33 C ATOM 824 O ILE A 51 -22.601 -8.344 6.108 1.00 43.21 O ATOM 825 CB ILE A 51 -20.064 -8.259 4.668 1.00 44.25 C ATOM 826 CG1 ILE A 51 -19.035 -7.532 3.798 1.00 41.53 C ATOM 827 CG2 ILE A 51 -19.629 -9.698 4.915 1.00 30.41 C ATOM 828 CD1 ILE A 51 -17.655 -7.456 4.417 1.00 25.41 C ATOM 0 H ILE A 51 -21.507 -6.147 4.270 1.00 53.10 H new ATOM 0 HA ILE A 51 -21.420 -8.815 3.088 1.00 43.55 H new ATOM 0 HB ILE A 51 -20.128 -7.747 5.628 1.00 44.25 H new ATOM 0 HG12 ILE A 51 -18.964 -8.039 2.836 1.00 41.53 H new ATOM 0 HG13 ILE A 51 -19.390 -6.521 3.600 1.00 41.53 H new ATOM 0 HG21 ILE A 51 -18.645 -9.705 5.384 1.00 30.41 H new ATOM 0 HG22 ILE A 51 -20.348 -10.188 5.572 1.00 30.41 H new ATOM 0 HG23 ILE A 51 -19.582 -10.232 3.966 1.00 30.41 H new ATOM 0 HD11 ILE A 51 -16.982 -6.927 3.742 1.00 25.41 H new ATOM 0 HD12 ILE A 51 -17.711 -6.922 5.366 1.00 25.41 H new ATOM 0 HD13 ILE A 51 -17.278 -8.464 4.589 1.00 25.41 H new ATOM 840 N ILE A 52 -23.231 -9.795 4.517 1.00 42.20 N ATOM 841 CA ILE A 52 -24.226 -10.432 5.364 1.00 11.24 C ATOM 842 C ILE A 52 -23.891 -11.899 5.577 1.00 3.42 C ATOM 843 O ILE A 52 -23.328 -12.551 4.699 1.00 51.25 O ATOM 844 CB ILE A 52 -25.668 -10.312 4.805 1.00 42.43 C ATOM 845 CG1 ILE A 52 -25.796 -10.927 3.396 1.00 54.34 C ATOM 846 CG2 ILE A 52 -26.117 -8.858 4.799 1.00 74.45 C ATOM 847 CD1 ILE A 52 -25.225 -10.076 2.277 1.00 61.21 C ATOM 0 H ILE A 52 -23.170 -10.175 3.572 1.00 42.20 H new ATOM 0 HA ILE A 52 -24.197 -9.900 6.315 1.00 11.24 H new ATOM 0 HB ILE A 52 -26.322 -10.881 5.466 1.00 42.43 H new ATOM 0 HG12 ILE A 52 -25.294 -11.895 3.390 1.00 54.34 H new ATOM 0 HG13 ILE A 52 -26.850 -11.113 3.190 1.00 54.34 H new ATOM 0 HG21 ILE A 52 -27.131 -8.792 4.404 1.00 74.45 H new ATOM 0 HG22 ILE A 52 -26.098 -8.467 5.816 1.00 74.45 H new ATOM 0 HG23 ILE A 52 -25.444 -8.272 4.173 1.00 74.45 H new ATOM 0 HD11 ILE A 52 -25.360 -10.589 1.325 1.00 61.21 H new ATOM 0 HD12 ILE A 52 -25.742 -9.117 2.249 1.00 61.21 H new ATOM 0 HD13 ILE A 52 -24.162 -9.910 2.452 1.00 61.21 H new ATOM 859 N ILE A 53 -24.245 -12.413 6.744 1.00 40.25 N ATOM 860 CA ILE A 53 -23.935 -13.789 7.096 1.00 63.34 C ATOM 861 C ILE A 53 -24.868 -14.751 6.369 1.00 45.31 C ATOM 862 O ILE A 53 -26.058 -14.468 6.211 1.00 52.50 O ATOM 863 CB ILE A 53 -24.051 -14.012 8.619 1.00 32.24 C ATOM 864 CG1 ILE A 53 -23.213 -12.975 9.372 1.00 72.11 C ATOM 865 CG2 ILE A 53 -23.612 -15.421 8.992 1.00 24.21 C ATOM 866 CD1 ILE A 53 -23.326 -13.077 10.877 1.00 54.45 C ATOM 0 H ILE A 53 -24.749 -11.896 7.465 1.00 40.25 H new ATOM 0 HA ILE A 53 -22.907 -13.984 6.790 1.00 63.34 H new ATOM 0 HB ILE A 53 -25.096 -13.893 8.906 1.00 32.24 H new ATOM 0 HG12 ILE A 53 -22.167 -13.090 9.087 1.00 72.11 H new ATOM 0 HG13 ILE A 53 -23.521 -11.977 9.060 1.00 72.11 H new ATOM 0 HG21 ILE A 53 -23.702 -15.557 10.070 1.00 24.21 H new ATOM 0 HG22 ILE A 53 -24.245 -16.147 8.481 1.00 24.21 H new ATOM 0 HG23 ILE A 53 -22.575 -15.570 8.693 1.00 24.21 H new ATOM 0 HD11 ILE A 53 -22.705 -12.311 11.341 1.00 54.45 H new ATOM 0 HD12 ILE A 53 -24.365 -12.932 11.175 1.00 54.45 H new ATOM 0 HD13 ILE A 53 -22.990 -14.062 11.201 1.00 54.45 H new ATOM 878 N GLY A 54 -24.321 -15.868 5.905 1.00 1.12 N ATOM 879 CA GLY A 54 -25.129 -16.871 5.240 1.00 30.12 C ATOM 880 C GLY A 54 -25.034 -16.779 3.733 1.00 14.53 C ATOM 881 O GLY A 54 -25.359 -17.730 3.024 1.00 5.40 O ATOM 0 H GLY A 54 -23.330 -16.097 5.978 1.00 1.12 H new ATOM 0 HA2 GLY A 54 -24.811 -17.863 5.562 1.00 30.12 H new ATOM 0 HA3 GLY A 54 -26.169 -16.756 5.544 1.00 30.12 H new ATOM 885 N ASP A 55 -24.573 -15.638 3.247 1.00 35.52 N ATOM 886 CA ASP A 55 -24.469 -15.403 1.814 1.00 63.43 C ATOM 887 C ASP A 55 -23.078 -15.794 1.325 1.00 63.32 C ATOM 888 O ASP A 55 -22.134 -15.866 2.118 1.00 42.42 O ATOM 889 CB ASP A 55 -24.751 -13.928 1.509 1.00 3.34 C ATOM 890 CG ASP A 55 -24.986 -13.656 0.035 1.00 44.53 C ATOM 891 OD1 ASP A 55 -26.078 -13.991 -0.468 1.00 23.35 O ATOM 892 OD2 ASP A 55 -24.099 -13.083 -0.623 1.00 61.44 O ATOM 0 H ASP A 55 -24.264 -14.857 3.825 1.00 35.52 H new ATOM 0 HA ASP A 55 -25.206 -16.014 1.293 1.00 63.43 H new ATOM 0 HB2 ASP A 55 -25.626 -13.608 2.075 1.00 3.34 H new ATOM 0 HB3 ASP A 55 -23.911 -13.325 1.853 1.00 3.34 H new ATOM 897 N ARG A 56 -22.954 -16.065 0.034 1.00 45.21 N ATOM 898 CA ARG A 56 -21.667 -16.419 -0.542 1.00 11.02 C ATOM 899 C ARG A 56 -20.792 -15.186 -0.699 1.00 73.54 C ATOM 900 O ARG A 56 -21.267 -14.108 -1.055 1.00 71.15 O ATOM 901 CB ARG A 56 -21.835 -17.132 -1.889 1.00 50.44 C ATOM 902 CG ARG A 56 -22.257 -18.588 -1.754 1.00 64.10 C ATOM 903 CD ARG A 56 -21.350 -19.320 -0.778 1.00 13.21 C ATOM 904 NE ARG A 56 -21.656 -20.744 -0.663 1.00 25.11 N ATOM 905 CZ ARG A 56 -22.557 -21.247 0.181 1.00 61.32 C ATOM 906 NH1 ARG A 56 -23.392 -20.437 0.826 1.00 44.43 N ATOM 907 NH2 ARG A 56 -22.646 -22.560 0.354 1.00 34.12 N ATOM 0 H ARG A 56 -23.727 -16.046 -0.632 1.00 45.21 H new ATOM 0 HA ARG A 56 -21.176 -17.110 0.144 1.00 11.02 H new ATOM 0 HB2 ARG A 56 -22.578 -16.600 -2.483 1.00 50.44 H new ATOM 0 HB3 ARG A 56 -20.894 -17.084 -2.437 1.00 50.44 H new ATOM 0 HG2 ARG A 56 -23.290 -18.642 -1.410 1.00 64.10 H new ATOM 0 HG3 ARG A 56 -22.220 -19.075 -2.729 1.00 64.10 H new ATOM 0 HD2 ARG A 56 -20.314 -19.202 -1.097 1.00 13.21 H new ATOM 0 HD3 ARG A 56 -21.436 -18.856 0.205 1.00 13.21 H new ATOM 0 HE ARG A 56 -21.149 -21.393 -1.265 1.00 25.11 H new ATOM 0 HH11 ARG A 56 -23.344 -19.429 0.675 1.00 44.43 H new ATOM 0 HH12 ARG A 56 -24.081 -20.824 1.471 1.00 44.43 H new ATOM 0 HH21 ARG A 56 -22.025 -23.185 -0.159 1.00 34.12 H new ATOM 0 HH22 ARG A 56 -23.336 -22.944 1.000 1.00 34.12 H new ATOM 921 N VAL A 57 -19.514 -15.350 -0.418 1.00 41.21 N ATOM 922 CA VAL A 57 -18.576 -14.244 -0.459 1.00 72.21 C ATOM 923 C VAL A 57 -17.307 -14.634 -1.203 1.00 43.30 C ATOM 924 O VAL A 57 -17.007 -15.814 -1.366 1.00 3.12 O ATOM 925 CB VAL A 57 -18.203 -13.764 0.961 1.00 23.14 C ATOM 926 CG1 VAL A 57 -19.407 -13.148 1.659 1.00 34.25 C ATOM 927 CG2 VAL A 57 -17.640 -14.910 1.788 1.00 45.12 C ATOM 0 H VAL A 57 -19.099 -16.244 -0.157 1.00 41.21 H new ATOM 0 HA VAL A 57 -19.070 -13.429 -0.987 1.00 72.21 H new ATOM 0 HB VAL A 57 -17.433 -12.998 0.865 1.00 23.14 H new ATOM 0 HG11 VAL A 57 -19.119 -12.818 2.657 1.00 34.25 H new ATOM 0 HG12 VAL A 57 -19.764 -12.294 1.083 1.00 34.25 H new ATOM 0 HG13 VAL A 57 -20.201 -13.890 1.737 1.00 34.25 H new ATOM 0 HG21 VAL A 57 -17.384 -14.549 2.784 1.00 45.12 H new ATOM 0 HG22 VAL A 57 -18.386 -15.701 1.869 1.00 45.12 H new ATOM 0 HG23 VAL A 57 -16.746 -15.303 1.304 1.00 45.12 H new ATOM 937 N LEU A 58 -16.570 -13.634 -1.646 1.00 2.01 N ATOM 938 CA LEU A 58 -15.309 -13.852 -2.331 1.00 31.43 C ATOM 939 C LEU A 58 -14.160 -13.463 -1.414 1.00 60.43 C ATOM 940 O LEU A 58 -14.147 -12.357 -0.866 1.00 60.30 O ATOM 941 CB LEU A 58 -15.261 -13.023 -3.621 1.00 11.44 C ATOM 942 CG LEU A 58 -13.924 -13.037 -4.371 1.00 20.01 C ATOM 943 CD1 LEU A 58 -13.615 -14.425 -4.908 1.00 10.11 C ATOM 944 CD2 LEU A 58 -13.940 -12.018 -5.502 1.00 33.15 C ATOM 0 H LEU A 58 -16.826 -12.652 -1.542 1.00 2.01 H new ATOM 0 HA LEU A 58 -15.218 -14.906 -2.592 1.00 31.43 H new ATOM 0 HB2 LEU A 58 -16.038 -13.387 -4.294 1.00 11.44 H new ATOM 0 HB3 LEU A 58 -15.509 -11.990 -3.377 1.00 11.44 H new ATOM 0 HG LEU A 58 -13.137 -12.765 -3.668 1.00 20.01 H new ATOM 0 HD11 LEU A 58 -12.661 -14.407 -5.436 1.00 10.11 H new ATOM 0 HD12 LEU A 58 -13.558 -15.131 -4.080 1.00 10.11 H new ATOM 0 HD13 LEU A 58 -14.404 -14.733 -5.594 1.00 10.11 H new ATOM 0 HD21 LEU A 58 -12.984 -12.040 -6.025 1.00 33.15 H new ATOM 0 HD22 LEU A 58 -14.741 -12.262 -6.200 1.00 33.15 H new ATOM 0 HD23 LEU A 58 -14.107 -11.022 -5.092 1.00 33.15 H new ATOM 956 N VAL A 59 -13.220 -14.375 -1.227 1.00 24.21 N ATOM 957 CA VAL A 59 -12.046 -14.091 -0.426 1.00 42.13 C ATOM 958 C VAL A 59 -10.816 -13.993 -1.322 1.00 21.41 C ATOM 959 O VAL A 59 -10.560 -14.854 -2.167 1.00 74.05 O ATOM 960 CB VAL A 59 -11.828 -15.132 0.703 1.00 11.04 C ATOM 961 CG1 VAL A 59 -11.736 -16.543 0.153 1.00 20.23 C ATOM 962 CG2 VAL A 59 -10.583 -14.797 1.514 1.00 54.54 C ATOM 0 H VAL A 59 -13.249 -15.316 -1.619 1.00 24.21 H new ATOM 0 HA VAL A 59 -12.210 -13.132 0.066 1.00 42.13 H new ATOM 0 HB VAL A 59 -12.696 -15.086 1.360 1.00 11.04 H new ATOM 0 HG11 VAL A 59 -11.583 -17.244 0.974 1.00 20.23 H new ATOM 0 HG12 VAL A 59 -12.660 -16.791 -0.369 1.00 20.23 H new ATOM 0 HG13 VAL A 59 -10.898 -16.609 -0.541 1.00 20.23 H new ATOM 0 HG21 VAL A 59 -10.450 -15.540 2.300 1.00 54.54 H new ATOM 0 HG22 VAL A 59 -9.711 -14.800 0.860 1.00 54.54 H new ATOM 0 HG23 VAL A 59 -10.696 -13.810 1.963 1.00 54.54 H new ATOM 972 N GLU A 60 -10.088 -12.910 -1.152 1.00 14.23 N ATOM 973 CA GLU A 60 -8.927 -12.615 -1.967 1.00 2.10 C ATOM 974 C GLU A 60 -7.687 -12.578 -1.076 1.00 24.35 C ATOM 975 O GLU A 60 -7.538 -11.679 -0.248 1.00 60.44 O ATOM 976 CB GLU A 60 -9.162 -11.267 -2.657 1.00 62.43 C ATOM 977 CG GLU A 60 -8.141 -10.890 -3.710 1.00 21.20 C ATOM 978 CD GLU A 60 -8.463 -9.556 -4.355 1.00 73.43 C ATOM 979 OE1 GLU A 60 -9.181 -9.535 -5.377 1.00 13.55 O ATOM 980 OE2 GLU A 60 -8.002 -8.512 -3.845 1.00 31.14 O ATOM 0 H GLU A 60 -10.285 -12.205 -0.441 1.00 14.23 H new ATOM 0 HA GLU A 60 -8.771 -13.380 -2.727 1.00 2.10 H new ATOM 0 HB2 GLU A 60 -10.148 -11.282 -3.121 1.00 62.43 H new ATOM 0 HB3 GLU A 60 -9.179 -10.487 -1.896 1.00 62.43 H new ATOM 0 HG2 GLU A 60 -7.151 -10.845 -3.256 1.00 21.20 H new ATOM 0 HG3 GLU A 60 -8.106 -11.665 -4.476 1.00 21.20 H new ATOM 987 N MET A 61 -6.816 -13.570 -1.203 1.00 40.21 N ATOM 988 CA MET A 61 -5.665 -13.662 -0.314 1.00 71.55 C ATOM 989 C MET A 61 -4.451 -14.274 -1.003 1.00 24.13 C ATOM 990 O MET A 61 -4.572 -15.010 -1.980 1.00 3.01 O ATOM 991 CB MET A 61 -6.015 -14.476 0.936 1.00 23.10 C ATOM 992 CG MET A 61 -6.161 -15.975 0.699 1.00 35.13 C ATOM 993 SD MET A 61 -7.576 -16.403 -0.333 1.00 65.12 S ATOM 994 CE MET A 61 -7.393 -18.182 -0.416 1.00 43.03 C ATOM 0 H MET A 61 -6.881 -14.311 -1.901 1.00 40.21 H new ATOM 0 HA MET A 61 -5.405 -12.643 -0.026 1.00 71.55 H new ATOM 0 HB2 MET A 61 -5.242 -14.314 1.687 1.00 23.10 H new ATOM 0 HB3 MET A 61 -6.948 -14.095 1.352 1.00 23.10 H new ATOM 0 HG2 MET A 61 -5.252 -16.351 0.230 1.00 35.13 H new ATOM 0 HG3 MET A 61 -6.256 -16.480 1.660 1.00 35.13 H new ATOM 0 HE1 MET A 61 -7.555 -18.517 -1.441 1.00 43.03 H new ATOM 0 HE2 MET A 61 -6.388 -18.460 -0.098 1.00 43.03 H new ATOM 0 HE3 MET A 61 -8.125 -18.654 0.240 1.00 43.03 H new ATOM 1004 N SER A 62 -3.278 -13.956 -0.478 1.00 55.11 N ATOM 1005 CA SER A 62 -2.030 -14.487 -0.993 1.00 31.15 C ATOM 1006 C SER A 62 -1.627 -15.747 -0.223 1.00 61.31 C ATOM 1007 O SER A 62 -1.805 -15.827 0.992 1.00 33.50 O ATOM 1008 CB SER A 62 -0.939 -13.428 -0.877 1.00 50.42 C ATOM 1009 OG SER A 62 -1.353 -12.208 -1.466 1.00 54.24 O ATOM 0 H SER A 62 -3.167 -13.324 0.315 1.00 55.11 H new ATOM 0 HA SER A 62 -2.163 -14.753 -2.042 1.00 31.15 H new ATOM 0 HB2 SER A 62 -0.695 -13.265 0.173 1.00 50.42 H new ATOM 0 HB3 SER A 62 -0.030 -13.782 -1.364 1.00 50.42 H new ATOM 0 HG SER A 62 -0.638 -11.543 -1.378 1.00 54.24 H new ATOM 1015 N ILE A 63 -1.060 -16.711 -0.935 1.00 63.25 N ATOM 1016 CA ILE A 63 -0.745 -18.025 -0.366 1.00 44.41 C ATOM 1017 C ILE A 63 0.544 -17.993 0.478 1.00 72.12 C ATOM 1018 O ILE A 63 0.990 -19.019 0.983 1.00 2.35 O ATOM 1019 CB ILE A 63 -0.619 -19.086 -1.495 1.00 73.04 C ATOM 1020 CG1 ILE A 63 -1.796 -18.966 -2.470 1.00 62.41 C ATOM 1021 CG2 ILE A 63 -0.561 -20.504 -0.929 1.00 21.43 C ATOM 1022 CD1 ILE A 63 -3.149 -19.206 -1.830 1.00 72.13 C ATOM 0 H ILE A 63 -0.805 -16.611 -1.917 1.00 63.25 H new ATOM 0 HA ILE A 63 -1.566 -18.299 0.296 1.00 44.41 H new ATOM 0 HB ILE A 63 0.314 -18.894 -2.025 1.00 73.04 H new ATOM 0 HG12 ILE A 63 -1.787 -17.971 -2.915 1.00 62.41 H new ATOM 0 HG13 ILE A 63 -1.657 -19.680 -3.282 1.00 62.41 H new ATOM 0 HG21 ILE A 63 -0.473 -21.219 -1.747 1.00 21.43 H new ATOM 0 HG22 ILE A 63 0.303 -20.598 -0.271 1.00 21.43 H new ATOM 0 HG23 ILE A 63 -1.471 -20.708 -0.365 1.00 21.43 H new ATOM 0 HD11 ILE A 63 -3.931 -19.104 -2.583 1.00 72.13 H new ATOM 0 HD12 ILE A 63 -3.179 -20.211 -1.409 1.00 72.13 H new ATOM 0 HD13 ILE A 63 -3.311 -18.476 -1.037 1.00 72.13 H new ATOM 1034 N TYR A 64 1.132 -16.807 0.637 1.00 73.11 N ATOM 1035 CA TYR A 64 2.402 -16.659 1.358 1.00 3.33 C ATOM 1036 C TYR A 64 2.330 -17.197 2.793 1.00 43.12 C ATOM 1037 O TYR A 64 2.705 -18.340 3.051 1.00 52.11 O ATOM 1038 CB TYR A 64 2.840 -15.194 1.378 1.00 12.23 C ATOM 1039 CG TYR A 64 3.251 -14.660 0.024 1.00 40.33 C ATOM 1040 CD1 TYR A 64 4.524 -14.900 -0.481 1.00 51.43 C ATOM 1041 CD2 TYR A 64 2.372 -13.910 -0.744 1.00 74.43 C ATOM 1042 CE1 TYR A 64 4.904 -14.410 -1.717 1.00 41.22 C ATOM 1043 CE2 TYR A 64 2.744 -13.417 -1.978 1.00 44.25 C ATOM 1044 CZ TYR A 64 4.011 -13.667 -2.459 1.00 14.21 C ATOM 1045 OH TYR A 64 4.382 -13.173 -3.686 1.00 34.32 O ATOM 0 H TYR A 64 0.751 -15.932 0.277 1.00 73.11 H new ATOM 0 HA TYR A 64 3.139 -17.255 0.820 1.00 3.33 H new ATOM 0 HB2 TYR A 64 2.023 -14.586 1.765 1.00 12.23 H new ATOM 0 HB3 TYR A 64 3.675 -15.084 2.070 1.00 12.23 H new ATOM 0 HD1 TYR A 64 5.227 -15.478 0.101 1.00 51.43 H new ATOM 0 HD2 TYR A 64 1.379 -13.709 -0.369 1.00 74.43 H new ATOM 0 HE1 TYR A 64 5.895 -14.608 -2.099 1.00 41.22 H new ATOM 0 HE2 TYR A 64 2.046 -12.838 -2.564 1.00 44.25 H new ATOM 0 HH TYR A 64 5.041 -13.773 -4.095 1.00 34.32 H new ATOM 1055 N ASP A 65 1.867 -16.372 3.729 1.00 65.32 N ATOM 1056 CA ASP A 65 1.789 -16.791 5.128 1.00 74.20 C ATOM 1057 C ASP A 65 0.631 -16.121 5.862 1.00 73.33 C ATOM 1058 O ASP A 65 -0.352 -16.773 6.197 1.00 72.14 O ATOM 1059 CB ASP A 65 3.105 -16.493 5.852 1.00 45.25 C ATOM 1060 CG ASP A 65 3.042 -16.814 7.334 1.00 43.43 C ATOM 1061 OD1 ASP A 65 3.180 -18.000 7.697 1.00 3.05 O ATOM 1062 OD2 ASP A 65 2.850 -15.879 8.141 1.00 21.14 O ATOM 0 H ASP A 65 1.544 -15.421 3.549 1.00 65.32 H new ATOM 0 HA ASP A 65 1.609 -17.866 5.131 1.00 74.20 H new ATOM 0 HB2 ASP A 65 3.907 -17.071 5.393 1.00 45.25 H new ATOM 0 HB3 ASP A 65 3.356 -15.440 5.722 1.00 45.25 H new ATOM 1067 N ARG A 66 0.734 -14.812 6.090 1.00 54.41 N ATOM 1068 CA ARG A 66 -0.271 -14.106 6.887 1.00 71.33 C ATOM 1069 C ARG A 66 -1.613 -14.047 6.161 1.00 74.21 C ATOM 1070 O ARG A 66 -2.673 -14.120 6.784 1.00 63.12 O ATOM 1071 CB ARG A 66 0.195 -12.691 7.282 1.00 30.23 C ATOM 1072 CG ARG A 66 0.250 -11.668 6.148 1.00 62.20 C ATOM 1073 CD ARG A 66 1.436 -11.891 5.227 1.00 41.45 C ATOM 1074 NE ARG A 66 1.669 -10.747 4.348 1.00 53.23 N ATOM 1075 CZ ARG A 66 2.877 -10.342 3.956 1.00 63.54 C ATOM 1076 NH1 ARG A 66 3.956 -11.038 4.290 1.00 11.01 N ATOM 1077 NH2 ARG A 66 2.996 -9.253 3.210 1.00 32.22 N ATOM 0 H ARG A 66 1.491 -14.225 5.740 1.00 54.41 H new ATOM 0 HA ARG A 66 -0.403 -14.677 7.806 1.00 71.33 H new ATOM 0 HB2 ARG A 66 -0.473 -12.312 8.056 1.00 30.23 H new ATOM 0 HB3 ARG A 66 1.187 -12.767 7.726 1.00 30.23 H new ATOM 0 HG2 ARG A 66 -0.672 -11.721 5.569 1.00 62.20 H new ATOM 0 HG3 ARG A 66 0.304 -10.664 6.570 1.00 62.20 H new ATOM 0 HD2 ARG A 66 2.329 -12.077 5.824 1.00 41.45 H new ATOM 0 HD3 ARG A 66 1.264 -12.783 4.624 1.00 41.45 H new ATOM 0 HE ARG A 66 0.858 -10.227 4.014 1.00 53.23 H new ATOM 0 HH11 ARG A 66 3.863 -11.886 4.849 1.00 11.01 H new ATOM 0 HH12 ARG A 66 4.879 -10.725 3.988 1.00 11.01 H new ATOM 0 HH21 ARG A 66 2.165 -8.728 2.938 1.00 32.22 H new ATOM 0 HH22 ARG A 66 3.919 -8.940 2.908 1.00 32.22 H new ATOM 1091 N ASN A 67 -1.567 -13.943 4.839 1.00 12.30 N ATOM 1092 CA ASN A 67 -2.790 -13.910 4.050 1.00 24.24 C ATOM 1093 C ASN A 67 -3.301 -15.318 3.786 1.00 44.43 C ATOM 1094 O ASN A 67 -4.411 -15.502 3.303 1.00 63.31 O ATOM 1095 CB ASN A 67 -2.585 -13.162 2.729 1.00 34.15 C ATOM 1096 CG ASN A 67 -2.550 -11.657 2.913 1.00 45.21 C ATOM 1097 OD1 ASN A 67 -1.486 -11.069 3.107 1.00 63.00 O ATOM 1098 ND2 ASN A 67 -3.714 -11.027 2.856 1.00 72.43 N ATOM 0 H ASN A 67 -0.706 -13.881 4.296 1.00 12.30 H new ATOM 0 HA ASN A 67 -3.539 -13.370 4.630 1.00 24.24 H new ATOM 0 HB2 ASN A 67 -1.652 -13.490 2.270 1.00 34.15 H new ATOM 0 HB3 ASN A 67 -3.388 -13.422 2.040 1.00 34.15 H new ATOM 0 HD21 ASN A 67 -3.752 -10.015 2.975 1.00 72.43 H new ATOM 0 HD22 ASN A 67 -4.572 -11.554 2.693 1.00 72.43 H new ATOM 1105 N ALA A 68 -2.488 -16.311 4.121 1.00 44.12 N ATOM 1106 CA ALA A 68 -2.899 -17.700 3.997 1.00 63.02 C ATOM 1107 C ALA A 68 -3.731 -18.097 5.210 1.00 31.44 C ATOM 1108 O ALA A 68 -4.307 -19.184 5.264 1.00 74.20 O ATOM 1109 CB ALA A 68 -1.683 -18.604 3.853 1.00 2.45 C ATOM 0 H ALA A 68 -1.542 -16.179 4.480 1.00 44.12 H new ATOM 0 HA ALA A 68 -3.509 -17.815 3.101 1.00 63.02 H new ATOM 0 HB1 ALA A 68 -2.009 -19.640 3.761 1.00 2.45 H new ATOM 0 HB2 ALA A 68 -1.122 -18.320 2.963 1.00 2.45 H new ATOM 0 HB3 ALA A 68 -1.046 -18.500 4.732 1.00 2.45 H new ATOM 1115 N LYS A 69 -3.774 -17.200 6.186 1.00 23.43 N ATOM 1116 CA LYS A 69 -4.568 -17.396 7.388 1.00 62.11 C ATOM 1117 C LYS A 69 -5.768 -16.462 7.363 1.00 21.21 C ATOM 1118 O LYS A 69 -6.901 -16.880 7.607 1.00 55.21 O ATOM 1119 CB LYS A 69 -3.717 -17.116 8.622 1.00 44.25 C ATOM 1120 CG LYS A 69 -2.422 -17.901 8.639 1.00 23.11 C ATOM 1121 CD LYS A 69 -1.504 -17.440 9.751 1.00 64.41 C ATOM 1122 CE LYS A 69 -0.148 -18.102 9.635 1.00 32.44 C ATOM 1123 NZ LYS A 69 0.778 -17.657 10.705 1.00 23.30 N1+ ATOM 0 H LYS A 69 -3.260 -16.319 6.166 1.00 23.43 H new ATOM 0 HA LYS A 69 -4.917 -18.428 7.426 1.00 62.11 H new ATOM 0 HB2 LYS A 69 -3.490 -16.051 8.666 1.00 44.25 H new ATOM 0 HB3 LYS A 69 -4.293 -17.356 9.516 1.00 44.25 H new ATOM 0 HG2 LYS A 69 -2.641 -18.962 8.763 1.00 23.11 H new ATOM 0 HG3 LYS A 69 -1.916 -17.790 7.680 1.00 23.11 H new ATOM 0 HD2 LYS A 69 -1.390 -16.357 9.709 1.00 64.41 H new ATOM 0 HD3 LYS A 69 -1.948 -17.677 10.718 1.00 64.41 H new ATOM 0 HE2 LYS A 69 -0.267 -19.184 9.685 1.00 32.44 H new ATOM 0 HE3 LYS A 69 0.286 -17.873 8.661 1.00 32.44 H new ATOM 0 HZ1 LYS A 69 1.695 -18.133 10.590 1.00 23.30 H new ATOM 0 HZ2 LYS A 69 0.912 -16.628 10.642 1.00 23.30 H new ATOM 0 HZ3 LYS A 69 0.377 -17.898 11.634 1.00 23.30 H new ATOM 1137 N LYS A 70 -5.501 -15.189 7.084 1.00 63.24 N ATOM 1138 CA LYS A 70 -6.565 -14.205 6.903 1.00 30.12 C ATOM 1139 C LYS A 70 -6.446 -13.512 5.550 1.00 41.12 C ATOM 1140 O LYS A 70 -5.387 -12.995 5.200 1.00 12.10 O ATOM 1141 CB LYS A 70 -6.544 -13.136 8.003 1.00 40.15 C ATOM 1142 CG LYS A 70 -7.047 -13.600 9.362 1.00 53.14 C ATOM 1143 CD LYS A 70 -5.969 -14.317 10.152 1.00 22.43 C ATOM 1144 CE LYS A 70 -6.436 -14.646 11.561 1.00 51.34 C ATOM 1145 NZ LYS A 70 -6.858 -13.430 12.312 1.00 54.52 N1+ ATOM 0 H LYS A 70 -4.558 -14.815 6.978 1.00 63.24 H new ATOM 0 HA LYS A 70 -7.506 -14.753 6.956 1.00 30.12 H new ATOM 0 HB2 LYS A 70 -5.523 -12.772 8.115 1.00 40.15 H new ATOM 0 HB3 LYS A 70 -7.150 -12.290 7.678 1.00 40.15 H new ATOM 0 HG2 LYS A 70 -7.402 -12.740 9.930 1.00 53.14 H new ATOM 0 HG3 LYS A 70 -7.899 -14.265 9.225 1.00 53.14 H new ATOM 0 HD2 LYS A 70 -5.689 -15.236 9.637 1.00 22.43 H new ATOM 0 HD3 LYS A 70 -5.076 -13.694 10.200 1.00 22.43 H new ATOM 0 HE2 LYS A 70 -7.269 -15.348 11.511 1.00 51.34 H new ATOM 0 HE3 LYS A 70 -5.631 -15.144 12.102 1.00 51.34 H new ATOM 0 HZ1 LYS A 70 -6.745 -13.596 13.333 1.00 54.52 H new ATOM 0 HZ2 LYS A 70 -6.268 -12.623 12.025 1.00 54.52 H new ATOM 0 HZ3 LYS A 70 -7.855 -13.222 12.103 1.00 54.52 H new ATOM 1159 N GLY A 71 -7.547 -13.466 4.814 1.00 14.03 N ATOM 1160 CA GLY A 71 -7.571 -12.763 3.542 1.00 51.34 C ATOM 1161 C GLY A 71 -8.572 -11.627 3.556 1.00 71.21 C ATOM 1162 O GLY A 71 -9.200 -11.374 4.584 1.00 32.45 O ATOM 0 H GLY A 71 -8.430 -13.905 5.075 1.00 14.03 H new ATOM 0 HA2 GLY A 71 -6.578 -12.372 3.322 1.00 51.34 H new ATOM 0 HA3 GLY A 71 -7.822 -13.461 2.744 1.00 51.34 H new ATOM 1166 N ARG A 72 -8.724 -10.930 2.437 1.00 25.41 N ATOM 1167 CA ARG A 72 -9.717 -9.872 2.345 1.00 2.23 C ATOM 1168 C ARG A 72 -11.013 -10.432 1.775 1.00 21.11 C ATOM 1169 O ARG A 72 -11.021 -11.051 0.712 1.00 23.23 O ATOM 1170 CB ARG A 72 -9.211 -8.695 1.494 1.00 44.22 C ATOM 1171 CG ARG A 72 -8.833 -9.072 0.070 1.00 33.32 C ATOM 1172 CD ARG A 72 -8.456 -7.861 -0.770 1.00 11.03 C ATOM 1173 NE ARG A 72 -7.234 -7.198 -0.302 1.00 32.10 N ATOM 1174 CZ ARG A 72 -6.256 -6.788 -1.120 1.00 71.22 C ATOM 1175 NH1 ARG A 72 -6.302 -7.077 -2.414 1.00 4.23 N ATOM 1176 NH2 ARG A 72 -5.220 -6.108 -0.641 1.00 53.13 N ATOM 0 H ARG A 72 -8.177 -11.077 1.589 1.00 25.41 H new ATOM 0 HA ARG A 72 -9.904 -9.489 3.348 1.00 2.23 H new ATOM 0 HB2 ARG A 72 -9.983 -7.926 1.462 1.00 44.22 H new ATOM 0 HB3 ARG A 72 -8.343 -8.254 1.984 1.00 44.22 H new ATOM 0 HG2 ARG A 72 -7.996 -9.770 0.092 1.00 33.32 H new ATOM 0 HG3 ARG A 72 -9.669 -9.591 -0.400 1.00 33.32 H new ATOM 0 HD2 ARG A 72 -8.320 -8.172 -1.806 1.00 11.03 H new ATOM 0 HD3 ARG A 72 -9.279 -7.146 -0.757 1.00 11.03 H new ATOM 0 HE ARG A 72 -7.123 -7.041 0.700 1.00 32.10 H new ATOM 0 HH11 ARG A 72 -7.084 -7.613 -2.789 1.00 4.23 H new ATOM 0 HH12 ARG A 72 -5.555 -6.763 -3.034 1.00 4.23 H new ATOM 0 HH21 ARG A 72 -5.166 -5.895 0.355 1.00 53.13 H new ATOM 0 HH22 ARG A 72 -4.478 -5.799 -1.269 1.00 53.13 H new ATOM 1190 N ILE A 73 -12.095 -10.236 2.506 1.00 61.40 N ATOM 1191 CA ILE A 73 -13.396 -10.756 2.117 1.00 44.12 C ATOM 1192 C ILE A 73 -14.335 -9.600 1.791 1.00 12.31 C ATOM 1193 O ILE A 73 -14.340 -8.586 2.491 1.00 11.22 O ATOM 1194 CB ILE A 73 -13.983 -11.654 3.246 1.00 10.45 C ATOM 1195 CG1 ILE A 73 -15.347 -12.256 2.859 1.00 34.14 C ATOM 1196 CG2 ILE A 73 -14.085 -10.876 4.556 1.00 64.43 C ATOM 1197 CD1 ILE A 73 -16.546 -11.391 3.206 1.00 34.13 C ATOM 0 H ILE A 73 -12.099 -9.714 3.383 1.00 61.40 H new ATOM 0 HA ILE A 73 -13.284 -11.373 1.226 1.00 44.12 H new ATOM 0 HB ILE A 73 -13.294 -12.487 3.388 1.00 10.45 H new ATOM 0 HG12 ILE A 73 -15.353 -12.447 1.786 1.00 34.14 H new ATOM 0 HG13 ILE A 73 -15.457 -13.220 3.355 1.00 34.14 H new ATOM 0 HG21 ILE A 73 -14.497 -11.522 5.331 1.00 64.43 H new ATOM 0 HG22 ILE A 73 -13.094 -10.537 4.856 1.00 64.43 H new ATOM 0 HG23 ILE A 73 -14.737 -10.014 4.417 1.00 64.43 H new ATOM 0 HD11 ILE A 73 -17.461 -11.896 2.896 1.00 34.13 H new ATOM 0 HD12 ILE A 73 -16.572 -11.220 4.282 1.00 34.13 H new ATOM 0 HD13 ILE A 73 -16.467 -10.435 2.689 1.00 34.13 H new ATOM 1209 N ILE A 74 -15.103 -9.730 0.716 1.00 1.54 N ATOM 1210 CA ILE A 74 -16.068 -8.696 0.373 1.00 35.41 C ATOM 1211 C ILE A 74 -17.483 -9.272 0.215 1.00 23.34 C ATOM 1212 O ILE A 74 -18.330 -9.052 1.081 1.00 44.40 O ATOM 1213 CB ILE A 74 -15.628 -7.934 -0.907 1.00 0.14 C ATOM 1214 CG1 ILE A 74 -16.762 -7.055 -1.440 1.00 55.31 C ATOM 1215 CG2 ILE A 74 -15.130 -8.898 -1.980 1.00 35.44 C ATOM 1216 CD1 ILE A 74 -16.373 -6.224 -2.644 1.00 2.15 C ATOM 0 H ILE A 74 -15.078 -10.526 0.078 1.00 1.54 H new ATOM 0 HA ILE A 74 -16.098 -7.985 1.199 1.00 35.41 H new ATOM 0 HB ILE A 74 -14.798 -7.282 -0.636 1.00 0.14 H new ATOM 0 HG12 ILE A 74 -17.608 -7.690 -1.705 1.00 55.31 H new ATOM 0 HG13 ILE A 74 -17.099 -6.390 -0.645 1.00 55.31 H new ATOM 0 HG21 ILE A 74 -14.829 -8.335 -2.864 1.00 35.44 H new ATOM 0 HG22 ILE A 74 -14.276 -9.458 -1.598 1.00 35.44 H new ATOM 0 HG23 ILE A 74 -15.928 -9.591 -2.246 1.00 35.44 H new ATOM 0 HD11 ILE A 74 -17.227 -5.627 -2.966 1.00 2.15 H new ATOM 0 HD12 ILE A 74 -15.548 -5.563 -2.379 1.00 2.15 H new ATOM 0 HD13 ILE A 74 -16.064 -6.882 -3.456 1.00 2.15 H new ATOM 1228 N ARG A 75 -17.723 -10.033 -0.856 1.00 72.24 N ATOM 1229 CA ARG A 75 -18.994 -10.732 -1.066 1.00 23.42 C ATOM 1230 C ARG A 75 -19.012 -11.341 -2.466 1.00 61.43 C ATOM 1231 O ARG A 75 -18.102 -11.097 -3.260 1.00 32.13 O ATOM 1232 CB ARG A 75 -20.205 -9.793 -0.910 1.00 64.21 C ATOM 1233 CG ARG A 75 -21.515 -10.539 -0.696 1.00 1.12 C ATOM 1234 CD ARG A 75 -22.726 -9.669 -0.971 1.00 20.44 C ATOM 1235 NE ARG A 75 -23.944 -10.472 -1.055 1.00 3.31 N ATOM 1236 CZ ARG A 75 -25.128 -10.004 -1.431 1.00 33.41 C ATOM 1237 NH1 ARG A 75 -25.281 -8.714 -1.702 1.00 51.45 N ATOM 1238 NH2 ARG A 75 -26.165 -10.829 -1.523 1.00 30.20 N ATOM 0 H ARG A 75 -17.043 -10.182 -1.601 1.00 72.24 H new ATOM 0 HA ARG A 75 -19.072 -11.509 -0.306 1.00 23.42 H new ATOM 0 HB2 ARG A 75 -20.033 -9.124 -0.067 1.00 64.21 H new ATOM 0 HB3 ARG A 75 -20.290 -9.169 -1.799 1.00 64.21 H new ATOM 0 HG2 ARG A 75 -21.543 -11.413 -1.347 1.00 1.12 H new ATOM 0 HG3 ARG A 75 -21.559 -10.904 0.330 1.00 1.12 H new ATOM 0 HD2 ARG A 75 -22.831 -8.926 -0.180 1.00 20.44 H new ATOM 0 HD3 ARG A 75 -22.581 -9.124 -1.904 1.00 20.44 H new ATOM 0 HE ARG A 75 -23.880 -11.460 -0.808 1.00 3.31 H new ATOM 0 HH11 ARG A 75 -24.487 -8.078 -1.622 1.00 51.45 H new ATOM 0 HH12 ARG A 75 -26.192 -8.358 -1.991 1.00 51.45 H new ATOM 0 HH21 ARG A 75 -26.050 -11.819 -1.305 1.00 30.20 H new ATOM 0 HH22 ARG A 75 -27.076 -10.473 -1.812 1.00 30.20 H new ATOM 1252 N ARG A 76 -20.029 -12.142 -2.753 1.00 13.31 N ATOM 1253 CA ARG A 76 -20.332 -12.535 -4.121 1.00 13.34 C ATOM 1254 C ARG A 76 -20.948 -11.338 -4.848 1.00 54.45 C ATOM 1255 O ARG A 76 -21.621 -10.513 -4.226 1.00 20.55 O ATOM 1256 CB ARG A 76 -21.304 -13.728 -4.133 1.00 11.45 C ATOM 1257 CG ARG A 76 -21.820 -14.111 -5.516 1.00 10.22 C ATOM 1258 CD ARG A 76 -20.709 -14.623 -6.421 1.00 21.22 C ATOM 1259 NE ARG A 76 -21.181 -14.850 -7.787 1.00 31.45 N ATOM 1260 CZ ARG A 76 -20.622 -15.716 -8.636 1.00 10.20 C ATOM 1261 NH1 ARG A 76 -19.577 -16.442 -8.267 1.00 2.01 N ATOM 1262 NH2 ARG A 76 -21.109 -15.848 -9.862 1.00 71.20 N ATOM 0 H ARG A 76 -20.660 -12.533 -2.053 1.00 13.31 H new ATOM 0 HA ARG A 76 -19.417 -12.842 -4.627 1.00 13.34 H new ATOM 0 HB2 ARG A 76 -20.804 -14.592 -3.694 1.00 11.45 H new ATOM 0 HB3 ARG A 76 -22.155 -13.493 -3.494 1.00 11.45 H new ATOM 0 HG2 ARG A 76 -22.588 -14.878 -5.416 1.00 10.22 H new ATOM 0 HG3 ARG A 76 -22.293 -13.245 -5.978 1.00 10.22 H new ATOM 0 HD2 ARG A 76 -19.891 -13.903 -6.434 1.00 21.22 H new ATOM 0 HD3 ARG A 76 -20.309 -15.553 -6.015 1.00 21.22 H new ATOM 0 HE ARG A 76 -21.986 -14.314 -8.111 1.00 31.45 H new ATOM 0 HH11 ARG A 76 -19.193 -16.342 -7.327 1.00 2.01 H new ATOM 0 HH12 ARG A 76 -19.157 -17.101 -8.922 1.00 2.01 H new ATOM 0 HH21 ARG A 76 -21.910 -15.288 -10.156 1.00 71.20 H new ATOM 0 HH22 ARG A 76 -20.683 -16.509 -10.512 1.00 71.20 H new ATOM 1276 N LEU A 77 -20.696 -11.227 -6.146 1.00 62.12 N ATOM 1277 CA LEU A 77 -21.247 -10.132 -6.938 1.00 32.44 C ATOM 1278 C LEU A 77 -22.769 -10.222 -7.017 1.00 3.20 C ATOM 1279 O LEU A 77 -23.373 -11.198 -6.569 1.00 32.25 O ATOM 1280 CB LEU A 77 -20.647 -10.130 -8.347 1.00 73.44 C ATOM 1281 CG LEU A 77 -19.147 -9.839 -8.415 1.00 64.21 C ATOM 1282 CD1 LEU A 77 -18.651 -9.917 -9.851 1.00 62.22 C ATOM 1283 CD2 LEU A 77 -18.840 -8.471 -7.816 1.00 42.33 C ATOM 0 H LEU A 77 -20.115 -11.879 -6.673 1.00 62.12 H new ATOM 0 HA LEU A 77 -20.984 -9.198 -6.442 1.00 32.44 H new ATOM 0 HB2 LEU A 77 -20.834 -11.101 -8.806 1.00 73.44 H new ATOM 0 HB3 LEU A 77 -21.173 -9.388 -8.947 1.00 73.44 H new ATOM 0 HG LEU A 77 -18.624 -10.596 -7.830 1.00 64.21 H new ATOM 0 HD11 LEU A 77 -17.582 -9.707 -9.879 1.00 62.22 H new ATOM 0 HD12 LEU A 77 -18.835 -10.916 -10.246 1.00 62.22 H new ATOM 0 HD13 LEU A 77 -19.181 -9.184 -10.459 1.00 62.22 H new ATOM 0 HD21 LEU A 77 -17.768 -8.281 -7.873 1.00 42.33 H new ATOM 0 HD22 LEU A 77 -19.375 -7.702 -8.373 1.00 42.33 H new ATOM 0 HD23 LEU A 77 -19.157 -8.451 -6.773 1.00 42.33 H new ATOM 1295 N LYS A 78 -23.380 -9.207 -7.607 1.00 25.42 N ATOM 1296 CA LYS A 78 -24.830 -9.118 -7.682 1.00 62.45 C ATOM 1297 C LYS A 78 -25.374 -10.095 -8.711 1.00 62.03 C ATOM 1298 O LYS A 78 -25.136 -9.944 -9.911 1.00 53.31 O ATOM 1299 CB LYS A 78 -25.266 -7.692 -8.035 1.00 31.34 C ATOM 1300 CG LYS A 78 -25.274 -6.719 -6.860 1.00 23.14 C ATOM 1301 CD LYS A 78 -23.885 -6.470 -6.282 1.00 51.44 C ATOM 1302 CE LYS A 78 -22.914 -5.928 -7.323 1.00 3.21 C ATOM 1303 NZ LYS A 78 -23.396 -4.670 -7.950 1.00 42.22 N1+ ATOM 0 H LYS A 78 -22.889 -8.427 -8.044 1.00 25.42 H new ATOM 0 HA LYS A 78 -25.235 -9.377 -6.704 1.00 62.45 H new ATOM 0 HB2 LYS A 78 -24.601 -7.304 -8.806 1.00 31.34 H new ATOM 0 HB3 LYS A 78 -26.267 -7.729 -8.466 1.00 31.34 H new ATOM 0 HG2 LYS A 78 -25.702 -5.770 -7.184 1.00 23.14 H new ATOM 0 HG3 LYS A 78 -25.923 -7.110 -6.076 1.00 23.14 H new ATOM 0 HD2 LYS A 78 -23.959 -5.764 -5.455 1.00 51.44 H new ATOM 0 HD3 LYS A 78 -23.492 -7.401 -5.872 1.00 51.44 H new ATOM 0 HE2 LYS A 78 -21.946 -5.749 -6.854 1.00 3.21 H new ATOM 0 HE3 LYS A 78 -22.759 -6.680 -8.097 1.00 3.21 H new ATOM 0 HZ1 LYS A 78 -22.657 -4.288 -8.575 1.00 42.22 H new ATOM 0 HZ2 LYS A 78 -24.253 -4.865 -8.506 1.00 42.22 H new ATOM 0 HZ3 LYS A 78 -23.616 -3.975 -7.209 1.00 42.22 H new ATOM 1317 N GLY A 79 -26.087 -11.103 -8.232 1.00 51.43 N ATOM 1318 CA GLY A 79 -26.664 -12.088 -9.119 1.00 42.04 C ATOM 1319 C GLY A 79 -25.729 -13.254 -9.351 1.00 65.42 C ATOM 1320 O GLY A 79 -24.720 -13.387 -8.658 1.00 74.13 O ATOM 0 H GLY A 79 -26.276 -11.256 -7.241 1.00 51.43 H new ATOM 0 HA2 GLY A 79 -27.601 -12.452 -8.697 1.00 42.04 H new ATOM 0 HA3 GLY A 79 -26.905 -11.620 -10.074 1.00 42.04 H new ATOM 1324 N THR A 80 -26.066 -14.096 -10.330 1.00 73.22 N ATOM 1325 CA THR A 80 -25.272 -15.280 -10.688 1.00 42.53 C ATOM 1326 C THR A 80 -24.969 -16.163 -9.472 1.00 44.43 C ATOM 1327 O THR A 80 -23.991 -16.907 -9.469 1.00 3.43 O ATOM 1328 CB THR A 80 -23.941 -14.900 -11.394 1.00 23.40 C ATOM 1329 OG1 THR A 80 -23.104 -14.119 -10.530 1.00 53.22 O ATOM 1330 CG2 THR A 80 -24.201 -14.122 -12.673 1.00 65.30 C ATOM 0 H THR A 80 -26.902 -13.977 -10.902 1.00 73.22 H new ATOM 0 HA THR A 80 -25.888 -15.848 -11.386 1.00 42.53 H new ATOM 0 HB THR A 80 -23.432 -15.832 -11.641 1.00 23.40 H new ATOM 0 HG1 THR A 80 -23.493 -14.096 -9.631 1.00 53.22 H new ATOM 0 HG21 THR A 80 -23.251 -13.870 -13.145 1.00 65.30 H new ATOM 0 HG22 THR A 80 -24.795 -14.731 -13.355 1.00 65.30 H new ATOM 0 HG23 THR A 80 -24.744 -13.206 -12.438 1.00 65.30 H new ATOM 1338 N SER A 81 -25.833 -16.107 -8.463 1.00 11.42 N ATOM 1339 CA SER A 81 -25.626 -16.857 -7.231 1.00 23.22 C ATOM 1340 C SER A 81 -25.779 -18.360 -7.464 1.00 62.23 C ATOM 1341 O SER A 81 -25.167 -19.174 -6.774 1.00 73.12 O ATOM 1342 CB SER A 81 -26.603 -16.365 -6.164 1.00 31.20 C ATOM 1343 OG SER A 81 -27.921 -16.285 -6.683 1.00 50.11 O ATOM 0 H SER A 81 -26.686 -15.548 -8.476 1.00 11.42 H new ATOM 0 HA SER A 81 -24.607 -16.688 -6.884 1.00 23.22 H new ATOM 0 HB2 SER A 81 -26.585 -17.041 -5.309 1.00 31.20 H new ATOM 0 HB3 SER A 81 -26.290 -15.385 -5.803 1.00 31.20 H new ATOM 0 HG SER A 81 -28.530 -15.970 -5.983 1.00 50.11 H new ATOM 1349 N ASP A 82 -26.603 -18.720 -8.438 1.00 24.54 N ATOM 1350 CA ASP A 82 -26.747 -20.114 -8.837 1.00 52.15 C ATOM 1351 C ASP A 82 -25.605 -20.504 -9.761 1.00 3.12 C ATOM 1352 O ASP A 82 -24.886 -21.476 -9.520 1.00 33.22 O ATOM 1353 CB ASP A 82 -28.087 -20.334 -9.549 1.00 33.43 C ATOM 1354 CG ASP A 82 -28.251 -21.757 -10.048 1.00 22.52 C ATOM 1355 OD1 ASP A 82 -28.759 -22.602 -9.285 1.00 71.21 O ATOM 1356 OD2 ASP A 82 -27.875 -22.036 -11.205 1.00 35.11 O ATOM 0 H ASP A 82 -27.182 -18.067 -8.966 1.00 24.54 H new ATOM 0 HA ASP A 82 -26.720 -20.737 -7.943 1.00 52.15 H new ATOM 0 HB2 ASP A 82 -28.902 -20.096 -8.865 1.00 33.43 H new ATOM 0 HB3 ASP A 82 -28.165 -19.646 -10.391 1.00 33.43 H new ATOM 1361 N ARG A 83 -25.440 -19.705 -10.803 1.00 72.32 N ATOM 1362 CA ARG A 83 -24.431 -19.928 -11.825 1.00 12.24 C ATOM 1363 C ARG A 83 -24.476 -18.782 -12.822 1.00 71.52 C ATOM 1364 O ARG A 83 -23.516 -18.029 -12.978 1.00 4.42 O ATOM 1365 CB ARG A 83 -24.679 -21.251 -12.558 1.00 42.33 C ATOM 1366 CG ARG A 83 -23.845 -21.406 -13.818 1.00 3.32 C ATOM 1367 CD ARG A 83 -24.422 -22.464 -14.738 1.00 33.02 C ATOM 1368 NE ARG A 83 -23.883 -22.357 -16.091 1.00 33.32 N ATOM 1369 CZ ARG A 83 -24.622 -22.437 -17.195 1.00 64.04 C ATOM 1370 NH1 ARG A 83 -25.921 -22.699 -17.113 1.00 32.23 N ATOM 1371 NH2 ARG A 83 -24.060 -22.277 -18.383 1.00 34.15 N ATOM 0 H ARG A 83 -26.009 -18.874 -10.964 1.00 72.32 H new ATOM 0 HA ARG A 83 -23.452 -19.977 -11.348 1.00 12.24 H new ATOM 0 HB2 ARG A 83 -24.462 -22.079 -11.883 1.00 42.33 H new ATOM 0 HB3 ARG A 83 -25.735 -21.321 -12.819 1.00 42.33 H new ATOM 0 HG2 ARG A 83 -23.797 -20.452 -14.343 1.00 3.32 H new ATOM 0 HG3 ARG A 83 -22.823 -21.674 -13.549 1.00 3.32 H new ATOM 0 HD2 ARG A 83 -24.203 -23.454 -14.337 1.00 33.02 H new ATOM 0 HD3 ARG A 83 -25.507 -22.366 -14.770 1.00 33.02 H new ATOM 0 HE ARG A 83 -22.879 -22.212 -16.196 1.00 33.32 H new ATOM 0 HH11 ARG A 83 -26.356 -22.840 -16.201 1.00 32.23 H new ATOM 0 HH12 ARG A 83 -26.484 -22.759 -17.962 1.00 32.23 H new ATOM 0 HH21 ARG A 83 -23.059 -22.092 -18.453 1.00 34.15 H new ATOM 0 HH22 ARG A 83 -24.628 -22.339 -19.228 1.00 34.15 H new ATOM 1385 N THR A 84 -25.616 -18.654 -13.481 1.00 32.45 N ATOM 1386 CA THR A 84 -25.823 -17.609 -14.463 1.00 22.52 C ATOM 1387 C THR A 84 -27.012 -16.729 -14.064 1.00 43.12 C ATOM 1388 O THR A 84 -26.818 -15.698 -13.422 1.00 5.10 O ATOM 1389 CB THR A 84 -26.008 -18.202 -15.888 1.00 52.23 C ATOM 1390 OG1 THR A 84 -26.590 -17.236 -16.768 1.00 4.50 O ATOM 1391 CG2 THR A 84 -26.861 -19.467 -15.868 1.00 55.01 C ATOM 0 H THR A 84 -26.419 -19.270 -13.349 1.00 32.45 H new ATOM 0 HA THR A 84 -24.931 -16.983 -14.489 1.00 22.52 H new ATOM 0 HB THR A 84 -25.017 -18.468 -16.256 1.00 52.23 H new ATOM 0 HG1 THR A 84 -26.696 -17.628 -17.660 1.00 4.50 H new ATOM 0 HG21 THR A 84 -26.967 -19.851 -16.883 1.00 55.01 H new ATOM 0 HG22 THR A 84 -26.380 -20.220 -15.244 1.00 55.01 H new ATOM 0 HG23 THR A 84 -27.846 -19.235 -15.463 1.00 55.01 H new ATOM 1399 N ILE A 85 -28.232 -17.162 -14.417 1.00 63.44 N ATOM 1400 CA ILE A 85 -29.490 -16.456 -14.101 1.00 4.42 C ATOM 1401 C ILE A 85 -29.403 -14.947 -14.352 1.00 54.30 C ATOM 1402 O ILE A 85 -30.138 -14.162 -13.750 1.00 44.44 O ATOM 1403 CB ILE A 85 -29.994 -16.734 -12.655 1.00 13.42 C ATOM 1404 CG1 ILE A 85 -28.971 -16.303 -11.596 1.00 65.35 C ATOM 1405 CG2 ILE A 85 -30.330 -18.208 -12.500 1.00 51.34 C ATOM 1406 CD1 ILE A 85 -29.386 -16.619 -10.175 1.00 72.14 C ATOM 0 H ILE A 85 -28.378 -18.026 -14.939 1.00 63.44 H new ATOM 0 HA ILE A 85 -30.224 -16.868 -14.793 1.00 4.42 H new ATOM 0 HB ILE A 85 -30.893 -16.138 -12.495 1.00 13.42 H new ATOM 0 HG12 ILE A 85 -28.020 -16.793 -11.804 1.00 65.35 H new ATOM 0 HG13 ILE A 85 -28.802 -15.230 -11.684 1.00 65.35 H new ATOM 0 HG21 ILE A 85 -30.682 -18.396 -11.486 1.00 51.34 H new ATOM 0 HG22 ILE A 85 -31.110 -18.480 -13.211 1.00 51.34 H new ATOM 0 HG23 ILE A 85 -29.439 -18.806 -12.692 1.00 51.34 H new ATOM 0 HD11 ILE A 85 -28.611 -16.284 -9.486 1.00 72.14 H new ATOM 0 HD12 ILE A 85 -30.321 -16.107 -9.946 1.00 72.14 H new ATOM 0 HD13 ILE A 85 -29.526 -17.695 -10.068 1.00 72.14 H new ATOM 1418 N SER A 86 -28.537 -14.553 -15.279 1.00 63.10 N ATOM 1419 CA SER A 86 -28.359 -13.151 -15.620 1.00 44.23 C ATOM 1420 C SER A 86 -29.255 -12.766 -16.793 1.00 34.42 C ATOM 1421 O SER A 86 -29.184 -11.651 -17.312 1.00 53.11 O ATOM 1422 CB SER A 86 -26.889 -12.879 -15.951 1.00 15.13 C ATOM 1423 OG SER A 86 -26.351 -13.911 -16.762 1.00 44.44 O ATOM 0 H SER A 86 -27.945 -15.192 -15.810 1.00 63.10 H new ATOM 0 HA SER A 86 -28.645 -12.541 -14.763 1.00 44.23 H new ATOM 0 HB2 SER A 86 -26.800 -11.923 -16.466 1.00 15.13 H new ATOM 0 HB3 SER A 86 -26.314 -12.799 -15.029 1.00 15.13 H new ATOM 0 HG SER A 86 -25.412 -13.714 -16.961 1.00 44.44 H new ATOM 1429 N LYS A 87 -30.097 -13.702 -17.204 1.00 53.01 N ATOM 1430 CA LYS A 87 -31.050 -13.461 -18.271 1.00 43.12 C ATOM 1431 C LYS A 87 -32.424 -13.199 -17.673 1.00 72.53 C ATOM 1432 O LYS A 87 -33.037 -14.155 -17.153 1.00 45.35 O ATOM 1433 CB LYS A 87 -31.104 -14.655 -19.225 1.00 74.43 C ATOM 1434 CG LYS A 87 -32.032 -14.442 -20.412 1.00 15.14 C ATOM 1435 CD LYS A 87 -32.193 -15.711 -21.232 1.00 1.43 C ATOM 1436 CE LYS A 87 -32.850 -16.814 -20.418 1.00 33.35 C ATOM 1437 NZ LYS A 87 -33.023 -18.059 -21.207 1.00 63.24 N1+ ATOM 1438 OXT LYS A 87 -32.874 -12.036 -17.699 1.00 0.00 O ATOM 0 H LYS A 87 -30.138 -14.642 -16.810 1.00 53.01 H new ATOM 0 HA LYS A 87 -30.732 -12.587 -18.840 1.00 43.12 H new ATOM 0 HB2 LYS A 87 -30.099 -14.862 -19.592 1.00 74.43 H new ATOM 0 HB3 LYS A 87 -31.430 -15.537 -18.673 1.00 74.43 H new ATOM 0 HG2 LYS A 87 -33.008 -14.112 -20.057 1.00 15.14 H new ATOM 0 HG3 LYS A 87 -31.637 -13.647 -21.045 1.00 15.14 H new ATOM 0 HD2 LYS A 87 -32.794 -15.501 -22.117 1.00 1.43 H new ATOM 0 HD3 LYS A 87 -31.217 -16.047 -21.582 1.00 1.43 H new ATOM 0 HE2 LYS A 87 -32.244 -17.024 -19.537 1.00 33.35 H new ATOM 0 HE3 LYS A 87 -33.822 -16.472 -20.062 1.00 33.35 H new ATOM 0 HZ1 LYS A 87 -33.474 -18.785 -20.615 1.00 63.24 H new ATOM 0 HZ2 LYS A 87 -33.623 -17.865 -22.034 1.00 63.24 H new ATOM 0 HZ3 LYS A 87 -32.094 -18.400 -21.525 1.00 63.24 H new TER 1452 LYS A 87