USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 789 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 9 GLN : amide:sc= -1.31 K(o=-1.9,f=-3.3!) USER MOD Set 1.2: A 51 THR OG1 : rot 180:sc= -0.59 USER MOD Set 2.1: A 7 SER OG : rot 180:sc= -0.307 USER MOD Set 2.2: A 10 GLN :FLIP amide:sc= 0.0185 F(o=-2.7!,f=-0.29) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.214 (180deg=-0.915) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.096 (180deg=-0.0543) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.438 X(o=-0.44,f=-0.19) USER MOD Single : A 22 GLN :FLIP amide:sc=-0.000877 F(o=-0.53,f=-0.00088) USER MOD Single : A 23 SER OG : rot -63:sc= 0.86 USER MOD Single : A 24 ASN : amide:sc= -2! X(o=-2!,f=-1.6) USER MOD Single : A 27 ASN : amide:sc= 0.791 K(o=0.79,f=-0.29) USER MOD Single : A 28 MET CE :methyl 162:sc= -0.13 (180deg=-0.58) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 70:sc= 0.387 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 81:sc= 1.12 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 1.09 (180deg=1.04) USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 0.223 (180deg=0.167) USER MOD Single : A 58 ASN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -166:sc= 1.09 (180deg=0.493) USER MOD Single : A 64 THR OG1 : rot -119:sc= -0.0705 USER MOD Single : A 65 LYS NZ :NH3+ 138:sc= 1.05 (180deg=0.144) USER MOD Single : A 66 ASN : amide:sc= -1.33 K(o=-1.3,f=-2) USER MOD Single : A 71 LYS NZ :NH3+ -166:sc= 2.34 (180deg=1.09) USER MOD Single : A 74 LYS NZ :NH3+ -169:sc= -0.0048 (180deg=-0.114) USER MOD Single : A 75 LYS NZ :NH3+ 158:sc= -2.73! (180deg=-4!) USER MOD Single : A 79 SER OG : rot 71:sc= 0.151 USER MOD Single : A 81 GLN : amide:sc= -0.215 X(o=-0.21,f=-0.11) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 HIS : +bothHN:sc= 0.706 K(o=0.71,f=-5.4!) USER MOD Single : A 89 GLN : amide:sc= -0.713 K(o=-0.71,f=-5.7!) USER MOD Single : A 90 HIS : no HD1:sc= -0.235 X(o=-0.24,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.095 1.096 2.478 1.00 41.44 N ATOM 2 CA MET A 1 -1.501 -0.312 2.212 1.00 71.13 C ATOM 3 C MET A 1 -0.333 -1.292 2.401 1.00 30.41 C ATOM 4 O MET A 1 0.733 -0.920 2.901 1.00 74.20 O ATOM 5 CB MET A 1 -2.074 -0.445 0.793 1.00 12.24 C ATOM 6 CG MET A 1 -3.355 0.348 0.571 1.00 4.32 C ATOM 7 SD MET A 1 -4.093 0.040 -1.048 1.00 32.31 S ATOM 8 CE MET A 1 -4.461 -1.713 -0.930 1.00 11.52 C ATOM 0 H1 MET A 1 -1.808 1.555 3.079 1.00 41.44 H new ATOM 0 H2 MET A 1 -0.175 1.106 2.963 1.00 41.44 H new ATOM 0 H3 MET A 1 -1.018 1.611 1.578 1.00 41.44 H new ATOM 0 HA MET A 1 -2.272 -0.570 2.939 1.00 71.13 H new ATOM 0 HB2 MET A 1 -1.323 -0.113 0.076 1.00 12.24 H new ATOM 0 HB3 MET A 1 -2.269 -1.497 0.587 1.00 12.24 H new ATOM 0 HG2 MET A 1 -4.075 0.093 1.349 1.00 4.32 H new ATOM 0 HG3 MET A 1 -3.141 1.412 0.672 1.00 4.32 H new ATOM 0 HE1 MET A 1 -5.254 -1.966 -1.633 1.00 11.52 H new ATOM 0 HE2 MET A 1 -3.567 -2.289 -1.168 1.00 11.52 H new ATOM 0 HE3 MET A 1 -4.785 -1.949 0.083 1.00 11.52 H new ATOM 20 N THR A 2 -0.548 -2.553 2.014 1.00 24.13 N ATOM 21 CA THR A 2 0.471 -3.600 2.158 1.00 24.23 C ATOM 22 C THR A 2 1.615 -3.427 1.145 1.00 10.04 C ATOM 23 O THR A 2 1.469 -3.733 -0.040 1.00 63.13 O ATOM 24 CB THR A 2 -0.136 -5.016 1.979 1.00 2.31 C ATOM 25 OG1 THR A 2 -1.267 -5.190 2.848 1.00 61.02 O ATOM 26 CG2 THR A 2 0.898 -6.104 2.272 1.00 3.15 C ATOM 0 H THR A 2 -1.421 -2.875 1.597 1.00 24.13 H new ATOM 0 HA THR A 2 0.867 -3.499 3.169 1.00 24.23 H new ATOM 0 HB THR A 2 -0.455 -5.108 0.941 1.00 2.31 H new ATOM 0 HG1 THR A 2 -1.641 -6.087 2.723 1.00 61.02 H new ATOM 0 HG21 THR A 2 0.442 -7.085 2.138 1.00 3.15 H new ATOM 0 HG22 THR A 2 1.740 -5.999 1.588 1.00 3.15 H new ATOM 0 HG23 THR A 2 1.250 -6.005 3.299 1.00 3.15 H new ATOM 34 N ALA A 3 2.751 -2.925 1.621 1.00 71.41 N ATOM 35 CA ALA A 3 3.957 -2.782 0.792 1.00 2.52 C ATOM 36 C ALA A 3 4.899 -3.987 0.966 1.00 22.23 C ATOM 37 O ALA A 3 6.091 -3.905 0.664 1.00 31.53 O ATOM 38 CB ALA A 3 4.680 -1.488 1.156 1.00 45.40 C ATOM 0 H ALA A 3 2.868 -2.607 2.583 1.00 71.41 H new ATOM 0 HA ALA A 3 3.654 -2.745 -0.254 1.00 2.52 H new ATOM 0 HB1 ALA A 3 5.573 -1.385 0.540 1.00 45.40 H new ATOM 0 HB2 ALA A 3 4.018 -0.640 0.981 1.00 45.40 H new ATOM 0 HB3 ALA A 3 4.965 -1.514 2.208 1.00 45.40 H new ATOM 44 N ALA A 4 4.334 -5.112 1.414 1.00 20.14 N ATOM 45 CA ALA A 4 5.110 -6.306 1.780 1.00 71.41 C ATOM 46 C ALA A 4 6.068 -6.017 2.952 1.00 32.13 C ATOM 47 O ALA A 4 7.271 -5.835 2.754 1.00 51.20 O ATOM 48 CB ALA A 4 5.869 -6.863 0.574 1.00 22.34 C ATOM 0 H ALA A 4 3.327 -5.223 1.534 1.00 20.14 H new ATOM 0 HA ALA A 4 4.404 -7.067 2.111 1.00 71.41 H new ATOM 0 HB1 ALA A 4 6.434 -7.745 0.875 1.00 22.34 H new ATOM 0 HB2 ALA A 4 5.160 -7.135 -0.208 1.00 22.34 H new ATOM 0 HB3 ALA A 4 6.555 -6.106 0.194 1.00 22.34 H new ATOM 54 N PRO A 5 5.538 -5.940 4.194 1.00 41.01 N ATOM 55 CA PRO A 5 6.349 -5.646 5.392 1.00 4.13 C ATOM 56 C PRO A 5 7.372 -6.753 5.711 1.00 33.23 C ATOM 57 O PRO A 5 7.354 -7.828 5.109 1.00 0.20 O ATOM 58 CB PRO A 5 5.308 -5.521 6.524 1.00 0.32 C ATOM 59 CG PRO A 5 3.987 -5.384 5.835 1.00 13.34 C ATOM 60 CD PRO A 5 4.118 -6.127 4.533 1.00 51.04 C ATOM 0 HA PRO A 5 6.950 -4.748 5.253 1.00 4.13 H new ATOM 0 HB2 PRO A 5 5.324 -6.398 7.171 1.00 0.32 H new ATOM 0 HB3 PRO A 5 5.514 -4.656 7.154 1.00 0.32 H new ATOM 0 HG2 PRO A 5 3.185 -5.802 6.443 1.00 13.34 H new ATOM 0 HG3 PRO A 5 3.744 -4.336 5.663 1.00 13.34 H new ATOM 0 HD2 PRO A 5 3.863 -7.181 4.641 1.00 51.04 H new ATOM 0 HD3 PRO A 5 3.461 -5.717 3.765 1.00 51.04 H new ATOM 68 N ALA A 6 8.254 -6.493 6.677 1.00 22.01 N ATOM 69 CA ALA A 6 9.315 -7.446 7.027 1.00 33.34 C ATOM 70 C ALA A 6 9.875 -7.175 8.430 1.00 31.10 C ATOM 71 O ALA A 6 9.814 -8.035 9.309 1.00 3.31 O ATOM 72 CB ALA A 6 10.432 -7.397 5.985 1.00 31.11 C ATOM 0 H ALA A 6 8.257 -5.636 7.230 1.00 22.01 H new ATOM 0 HA ALA A 6 8.880 -8.445 7.034 1.00 33.34 H new ATOM 0 HB1 ALA A 6 11.213 -8.108 6.255 1.00 31.11 H new ATOM 0 HB2 ALA A 6 10.028 -7.656 5.006 1.00 31.11 H new ATOM 0 HB3 ALA A 6 10.853 -6.392 5.949 1.00 31.11 H new ATOM 78 N SER A 7 10.421 -5.974 8.628 1.00 41.30 N ATOM 79 CA SER A 7 11.001 -5.584 9.923 1.00 53.43 C ATOM 80 C SER A 7 9.973 -4.864 10.812 1.00 23.50 C ATOM 81 O SER A 7 9.201 -4.026 10.334 1.00 53.44 O ATOM 82 CB SER A 7 12.216 -4.667 9.707 1.00 61.31 C ATOM 83 OG SER A 7 11.834 -3.447 9.089 1.00 21.03 O ATOM 0 H SER A 7 10.476 -5.251 7.910 1.00 41.30 H new ATOM 0 HA SER A 7 11.312 -6.498 10.429 1.00 53.43 H new ATOM 0 HB2 SER A 7 12.693 -4.459 10.665 1.00 61.31 H new ATOM 0 HB3 SER A 7 12.954 -5.176 9.087 1.00 61.31 H new ATOM 0 HG SER A 7 12.625 -2.882 8.964 1.00 21.03 H new ATOM 89 N PRO A 8 9.947 -5.187 12.125 1.00 44.33 N ATOM 90 CA PRO A 8 9.068 -4.513 13.106 1.00 25.43 C ATOM 91 C PRO A 8 9.251 -2.985 13.139 1.00 20.00 C ATOM 92 O PRO A 8 8.335 -2.248 13.507 1.00 51.13 O ATOM 93 CB PRO A 8 9.483 -5.136 14.447 1.00 13.25 C ATOM 94 CG PRO A 8 10.061 -6.462 14.082 1.00 65.12 C ATOM 95 CD PRO A 8 10.750 -6.254 12.760 1.00 44.01 C ATOM 0 HA PRO A 8 8.016 -4.654 12.858 1.00 25.43 H new ATOM 0 HB2 PRO A 8 10.213 -4.514 14.964 1.00 13.25 H new ATOM 0 HB3 PRO A 8 8.628 -5.246 15.115 1.00 13.25 H new ATOM 0 HG2 PRO A 8 10.764 -6.805 14.841 1.00 65.12 H new ATOM 0 HG3 PRO A 8 9.282 -7.221 14.003 1.00 65.12 H new ATOM 0 HD2 PRO A 8 11.789 -5.952 12.891 1.00 44.01 H new ATOM 0 HD3 PRO A 8 10.755 -7.165 12.161 1.00 44.01 H new ATOM 103 N GLN A 9 10.440 -2.519 12.751 1.00 64.34 N ATOM 104 CA GLN A 9 10.764 -1.083 12.773 1.00 74.44 C ATOM 105 C GLN A 9 9.797 -0.288 11.877 1.00 14.02 C ATOM 106 O GLN A 9 9.356 0.810 12.223 1.00 22.30 O ATOM 107 CB GLN A 9 12.202 -0.860 12.272 1.00 33.22 C ATOM 108 CG GLN A 9 13.222 -1.865 12.800 1.00 43.32 C ATOM 109 CD GLN A 9 13.384 -1.834 14.311 1.00 63.24 C ATOM 110 OE1 GLN A 9 13.185 -0.811 14.952 1.00 73.41 O ATOM 111 NE2 GLN A 9 13.760 -2.953 14.889 1.00 43.53 N ATOM 0 H GLN A 9 11.199 -3.113 12.416 1.00 64.34 H new ATOM 0 HA GLN A 9 10.668 -0.733 13.801 1.00 74.44 H new ATOM 0 HB2 GLN A 9 12.203 -0.899 11.183 1.00 33.22 H new ATOM 0 HB3 GLN A 9 12.520 0.143 12.555 1.00 33.22 H new ATOM 0 HG2 GLN A 9 12.922 -2.868 12.496 1.00 43.32 H new ATOM 0 HG3 GLN A 9 14.188 -1.667 12.336 1.00 43.32 H new ATOM 0 HE21 GLN A 9 13.918 -3.789 14.327 1.00 43.53 H new ATOM 0 HE22 GLN A 9 13.894 -2.985 15.900 1.00 43.53 H new ATOM 120 N GLN A 10 9.470 -0.877 10.731 1.00 11.31 N ATOM 121 CA GLN A 10 8.556 -0.275 9.754 1.00 1.22 C ATOM 122 C GLN A 10 7.153 -0.036 10.342 1.00 50.15 C ATOM 123 O GLN A 10 6.454 0.904 9.953 1.00 15.21 O ATOM 124 CB GLN A 10 8.478 -1.177 8.517 1.00 54.12 C ATOM 125 CG GLN A 10 9.814 -1.311 7.787 1.00 75.43 C ATOM 126 CD GLN A 10 9.833 -2.431 6.757 1.00 15.23 C ATOM 127 OE1 GLN A 10 9.146 -3.521 7.040 1.00 0.44 O flip ATOM 128 NE2 GLN A 10 10.491 -2.336 5.730 1.00 12.43 N flip ATOM 0 H GLN A 10 9.830 -1.788 10.449 1.00 11.31 H new ATOM 0 HA GLN A 10 8.949 0.703 9.475 1.00 1.22 H new ATOM 0 HB2 GLN A 10 8.134 -2.167 8.818 1.00 54.12 H new ATOM 0 HB3 GLN A 10 7.734 -0.776 7.829 1.00 54.12 H new ATOM 0 HG2 GLN A 10 10.044 -0.368 7.291 1.00 75.43 H new ATOM 0 HG3 GLN A 10 10.603 -1.487 8.518 1.00 75.43 H new ATOM 0 HE21 GLN A 10 11.013 -1.481 5.536 1.00 12.43 H new ATOM 0 HE22 GLN A 10 10.518 -3.111 5.068 1.00 12.43 H new ATOM 137 N ILE A 11 6.750 -0.889 11.284 1.00 33.23 N ATOM 138 CA ILE A 11 5.429 -0.783 11.921 1.00 70.12 C ATOM 139 C ILE A 11 5.263 0.562 12.654 1.00 40.30 C ATOM 140 O ILE A 11 4.173 1.138 12.667 1.00 11.10 O ATOM 141 CB ILE A 11 5.176 -1.964 12.909 1.00 22.34 C ATOM 142 CG1 ILE A 11 4.811 -3.256 12.143 1.00 42.23 C ATOM 143 CG2 ILE A 11 4.084 -1.617 13.924 1.00 74.45 C ATOM 144 CD1 ILE A 11 5.893 -3.766 11.209 1.00 52.23 C ATOM 0 H ILE A 11 7.318 -1.664 11.626 1.00 33.23 H new ATOM 0 HA ILE A 11 4.687 -0.835 11.124 1.00 70.12 H new ATOM 0 HB ILE A 11 6.102 -2.138 13.457 1.00 22.34 H new ATOM 0 HG12 ILE A 11 4.576 -4.037 12.866 1.00 42.23 H new ATOM 0 HG13 ILE A 11 3.905 -3.075 11.564 1.00 42.23 H new ATOM 0 HG21 ILE A 11 3.932 -2.460 14.597 1.00 74.45 H new ATOM 0 HG22 ILE A 11 4.387 -0.743 14.500 1.00 74.45 H new ATOM 0 HG23 ILE A 11 3.154 -1.400 13.398 1.00 74.45 H new ATOM 0 HD11 ILE A 11 5.549 -4.675 10.715 1.00 52.23 H new ATOM 0 HD12 ILE A 11 6.114 -3.007 10.459 1.00 52.23 H new ATOM 0 HD13 ILE A 11 6.795 -3.983 11.781 1.00 52.23 H new ATOM 156 N ARG A 12 6.349 1.072 13.239 1.00 33.14 N ATOM 157 CA ARG A 12 6.308 2.363 13.940 1.00 34.35 C ATOM 158 C ARG A 12 5.869 3.487 12.989 1.00 14.41 C ATOM 159 O ARG A 12 4.996 4.290 13.316 1.00 22.14 O ATOM 160 CB ARG A 12 7.682 2.699 14.535 1.00 2.03 C ATOM 161 CG ARG A 12 7.677 3.942 15.424 1.00 54.04 C ATOM 162 CD ARG A 12 9.079 4.314 15.890 1.00 32.24 C ATOM 163 NE ARG A 12 9.955 4.643 14.768 1.00 25.31 N ATOM 164 CZ ARG A 12 11.207 4.988 14.888 1.00 44.15 C ATOM 165 NH1 ARG A 12 11.756 5.093 16.057 1.00 13.01 N1+ ATOM 166 NH2 ARG A 12 11.908 5.241 13.832 1.00 14.23 N ATOM 0 H ARG A 12 7.262 0.617 13.243 1.00 33.14 H new ATOM 0 HA ARG A 12 5.581 2.281 14.748 1.00 34.35 H new ATOM 0 HB2 ARG A 12 8.034 1.848 15.117 1.00 2.03 H new ATOM 0 HB3 ARG A 12 8.394 2.846 13.723 1.00 2.03 H new ATOM 0 HG2 ARG A 12 7.243 4.778 14.876 1.00 54.04 H new ATOM 0 HG3 ARG A 12 7.041 3.765 16.292 1.00 54.04 H new ATOM 0 HD2 ARG A 12 9.022 5.165 16.569 1.00 32.24 H new ATOM 0 HD3 ARG A 12 9.506 3.485 16.454 1.00 32.24 H new ATOM 0 HE ARG A 12 9.561 4.600 13.828 1.00 25.31 H new ATOM 0 HH11 ARG A 12 11.208 4.905 16.897 1.00 13.01 H new ATOM 0 HH12 ARG A 12 12.736 5.364 16.138 1.00 13.01 H new ATOM 0 HH21 ARG A 12 11.482 5.171 12.908 1.00 14.23 H new ATOM 0 HH22 ARG A 12 12.887 5.511 13.923 1.00 14.23 H new ATOM 180 N ASP A 13 6.468 3.518 11.800 1.00 32.44 N ATOM 181 CA ASP A 13 6.127 4.510 10.774 1.00 13.55 C ATOM 182 C ASP A 13 4.650 4.401 10.352 1.00 12.55 C ATOM 183 O ASP A 13 3.999 5.406 10.052 1.00 41.42 O ATOM 184 CB ASP A 13 7.048 4.331 9.561 1.00 14.10 C ATOM 185 CG ASP A 13 6.631 5.191 8.383 1.00 71.41 C ATOM 186 OD1 ASP A 13 6.952 6.398 8.368 1.00 13.22 O ATOM 187 OD2 ASP A 13 5.969 4.666 7.468 1.00 0.31 O1- ATOM 0 H ASP A 13 7.198 2.863 11.519 1.00 32.44 H new ATOM 0 HA ASP A 13 6.272 5.505 11.195 1.00 13.55 H new ATOM 0 HB2 ASP A 13 8.070 4.581 9.845 1.00 14.10 H new ATOM 0 HB3 ASP A 13 7.048 3.283 9.260 1.00 14.10 H new ATOM 192 N ARG A 14 4.127 3.177 10.338 1.00 22.33 N ATOM 193 CA ARG A 14 2.722 2.937 9.986 1.00 3.13 C ATOM 194 C ARG A 14 1.765 3.671 10.947 1.00 31.21 C ATOM 195 O ARG A 14 0.672 4.074 10.560 1.00 64.32 O ATOM 196 CB ARG A 14 2.421 1.433 9.987 1.00 71.22 C ATOM 197 CG ARG A 14 3.293 0.604 9.036 1.00 74.25 C ATOM 198 CD ARG A 14 3.054 0.940 7.562 1.00 34.51 C ATOM 199 NE ARG A 14 3.693 2.191 7.141 1.00 14.25 N ATOM 200 CZ ARG A 14 3.658 2.655 5.917 1.00 52.53 C ATOM 201 NH1 ARG A 14 3.035 2.010 4.985 1.00 32.53 N1+ ATOM 202 NH2 ARG A 14 4.252 3.762 5.621 1.00 73.45 N ATOM 0 H ARG A 14 4.652 2.333 10.566 1.00 22.33 H new ATOM 0 HA ARG A 14 2.559 3.333 8.984 1.00 3.13 H new ATOM 0 HB2 ARG A 14 2.548 1.052 11.000 1.00 71.22 H new ATOM 0 HB3 ARG A 14 1.375 1.286 9.720 1.00 71.22 H new ATOM 0 HG2 ARG A 14 4.343 0.771 9.276 1.00 74.25 H new ATOM 0 HG3 ARG A 14 3.094 -0.455 9.199 1.00 74.25 H new ATOM 0 HD2 ARG A 14 3.429 0.123 6.945 1.00 34.51 H new ATOM 0 HD3 ARG A 14 1.981 1.010 7.382 1.00 34.51 H new ATOM 0 HE ARG A 14 4.195 2.733 7.844 1.00 14.25 H new ATOM 0 HH11 ARG A 14 2.565 1.131 5.200 1.00 32.53 H new ATOM 0 HH12 ARG A 14 3.014 2.381 4.035 1.00 32.53 H new ATOM 0 HH21 ARG A 14 4.753 4.281 6.342 1.00 73.45 H new ATOM 0 HH22 ARG A 14 4.221 4.118 4.666 1.00 73.45 H new ATOM 216 N LEU A 15 2.180 3.826 12.202 1.00 12.33 N ATOM 217 CA LEU A 15 1.393 4.567 13.199 1.00 5.50 C ATOM 218 C LEU A 15 1.207 6.040 12.778 1.00 42.14 C ATOM 219 O LEU A 15 0.099 6.581 12.824 1.00 34.30 O ATOM 220 CB LEU A 15 2.090 4.463 14.574 1.00 62.33 C ATOM 221 CG LEU A 15 1.396 5.165 15.765 1.00 21.35 C ATOM 222 CD1 LEU A 15 1.780 4.494 17.082 1.00 73.13 C ATOM 223 CD2 LEU A 15 1.760 6.652 15.823 1.00 33.33 C ATOM 0 H LEU A 15 3.058 3.449 12.559 1.00 12.33 H new ATOM 0 HA LEU A 15 0.398 4.127 13.269 1.00 5.50 H new ATOM 0 HB2 LEU A 15 2.200 3.407 14.820 1.00 62.33 H new ATOM 0 HB3 LEU A 15 3.095 4.874 14.477 1.00 62.33 H new ATOM 0 HG LEU A 15 0.320 5.076 15.615 1.00 21.35 H new ATOM 0 HD11 LEU A 15 1.282 5.002 17.908 1.00 73.13 H new ATOM 0 HD12 LEU A 15 1.473 3.448 17.061 1.00 73.13 H new ATOM 0 HD13 LEU A 15 2.860 4.552 17.219 1.00 73.13 H new ATOM 0 HD21 LEU A 15 1.257 7.117 16.671 1.00 33.33 H new ATOM 0 HD22 LEU A 15 2.839 6.758 15.939 1.00 33.33 H new ATOM 0 HD23 LEU A 15 1.444 7.140 14.901 1.00 33.33 H new ATOM 235 N LEU A 16 2.295 6.670 12.334 1.00 15.42 N ATOM 236 CA LEU A 16 2.289 8.104 11.997 1.00 24.54 C ATOM 237 C LEU A 16 1.321 8.447 10.846 1.00 75.13 C ATOM 238 O LEU A 16 0.820 9.569 10.769 1.00 55.24 O ATOM 239 CB LEU A 16 3.710 8.587 11.651 1.00 51.43 C ATOM 240 CG LEU A 16 4.686 8.722 12.840 1.00 71.11 C ATOM 241 CD1 LEU A 16 4.109 9.643 13.914 1.00 43.34 C ATOM 242 CD2 LEU A 16 5.039 7.356 13.428 1.00 4.05 C ATOM 0 H LEU A 16 3.197 6.213 12.197 1.00 15.42 H new ATOM 0 HA LEU A 16 1.931 8.627 12.884 1.00 24.54 H new ATOM 0 HB2 LEU A 16 4.142 7.895 10.928 1.00 51.43 H new ATOM 0 HB3 LEU A 16 3.633 9.556 11.158 1.00 51.43 H new ATOM 0 HG LEU A 16 5.606 9.169 12.465 1.00 71.11 H new ATOM 0 HD11 LEU A 16 4.814 9.723 14.742 1.00 43.34 H new ATOM 0 HD12 LEU A 16 3.934 10.632 13.490 1.00 43.34 H new ATOM 0 HD13 LEU A 16 3.167 9.232 14.278 1.00 43.34 H new ATOM 0 HD21 LEU A 16 5.728 7.486 14.263 1.00 4.05 H new ATOM 0 HD22 LEU A 16 4.131 6.866 13.779 1.00 4.05 H new ATOM 0 HD23 LEU A 16 5.510 6.741 12.662 1.00 4.05 H new ATOM 254 N GLN A 17 1.071 7.499 9.943 1.00 3.44 N ATOM 255 CA GLN A 17 0.160 7.744 8.808 1.00 41.14 C ATOM 256 C GLN A 17 -1.320 7.675 9.229 1.00 52.14 C ATOM 257 O GLN A 17 -2.210 8.059 8.463 1.00 51.45 O ATOM 258 CB GLN A 17 0.397 6.731 7.673 1.00 55.25 C ATOM 259 CG GLN A 17 0.029 5.295 8.042 1.00 64.23 C ATOM 260 CD GLN A 17 -0.152 4.386 6.838 1.00 14.22 C ATOM 261 OE1 GLN A 17 0.474 4.567 5.800 1.00 14.00 O ATOM 262 NE2 GLN A 17 -1.014 3.398 6.970 1.00 31.13 N ATOM 0 H GLN A 17 1.477 6.564 9.967 1.00 3.44 H new ATOM 0 HA GLN A 17 0.380 8.751 8.454 1.00 41.14 H new ATOM 0 HB2 GLN A 17 -0.184 7.033 6.802 1.00 55.25 H new ATOM 0 HB3 GLN A 17 1.447 6.764 7.382 1.00 55.25 H new ATOM 0 HG2 GLN A 17 0.807 4.883 8.684 1.00 64.23 H new ATOM 0 HG3 GLN A 17 -0.893 5.303 8.623 1.00 64.23 H new ATOM 0 HE21 GLN A 17 -1.519 3.275 7.848 1.00 31.13 H new ATOM 0 HE22 GLN A 17 -1.176 2.756 6.194 1.00 31.13 H new ATOM 271 N ALA A 18 -1.584 7.163 10.434 1.00 61.21 N ATOM 272 CA ALA A 18 -2.962 6.906 10.870 1.00 4.22 C ATOM 273 C ALA A 18 -3.447 7.863 11.971 1.00 44.33 C ATOM 274 O ALA A 18 -4.641 8.161 12.058 1.00 41.04 O ATOM 275 CB ALA A 18 -3.063 5.470 11.367 1.00 41.13 C ATOM 0 H ALA A 18 -0.870 6.920 11.121 1.00 61.21 H new ATOM 0 HA ALA A 18 -3.606 7.074 10.007 1.00 4.22 H new ATOM 0 HB1 ALA A 18 -4.083 5.269 11.693 1.00 41.13 H new ATOM 0 HB2 ALA A 18 -2.799 4.786 10.560 1.00 41.13 H new ATOM 0 HB3 ALA A 18 -2.379 5.326 12.204 1.00 41.13 H new ATOM 281 N ILE A 19 -2.534 8.348 12.805 1.00 42.31 N ATOM 282 CA ILE A 19 -2.913 9.171 13.963 1.00 10.54 C ATOM 283 C ILE A 19 -1.871 10.246 14.281 1.00 24.11 C ATOM 284 O ILE A 19 -0.755 10.228 13.762 1.00 11.33 O ATOM 285 CB ILE A 19 -3.105 8.310 15.242 1.00 65.35 C ATOM 286 CG1 ILE A 19 -1.789 7.612 15.617 1.00 45.20 C ATOM 287 CG2 ILE A 19 -4.226 7.287 15.060 1.00 22.22 C ATOM 288 CD1 ILE A 19 -1.859 6.836 16.912 1.00 10.24 C ATOM 0 H ILE A 19 -1.531 8.191 12.708 1.00 42.31 H new ATOM 0 HA ILE A 19 -3.853 9.646 13.682 1.00 10.54 H new ATOM 0 HB ILE A 19 -3.393 8.975 16.057 1.00 65.35 H new ATOM 0 HG12 ILE A 19 -1.506 6.933 14.812 1.00 45.20 H new ATOM 0 HG13 ILE A 19 -1.001 8.361 15.695 1.00 45.20 H new ATOM 0 HG21 ILE A 19 -4.335 6.701 15.972 1.00 22.22 H new ATOM 0 HG22 ILE A 19 -5.161 7.806 14.848 1.00 22.22 H new ATOM 0 HG23 ILE A 19 -3.982 6.624 14.230 1.00 22.22 H new ATOM 0 HD11 ILE A 19 -0.893 6.371 17.110 1.00 10.24 H new ATOM 0 HD12 ILE A 19 -2.111 7.513 17.729 1.00 10.24 H new ATOM 0 HD13 ILE A 19 -2.624 6.063 16.832 1.00 10.24 H new ATOM 300 N ASP A 20 -2.256 11.190 15.136 1.00 40.23 N ATOM 301 CA ASP A 20 -1.301 12.112 15.742 1.00 30.32 C ATOM 302 C ASP A 20 -0.557 11.420 16.895 1.00 61.44 C ATOM 303 O ASP A 20 -1.109 10.534 17.553 1.00 44.24 O ATOM 304 CB ASP A 20 -2.019 13.359 16.271 1.00 41.01 C ATOM 305 CG ASP A 20 -2.574 14.220 15.157 1.00 14.30 C ATOM 306 OD1 ASP A 20 -3.748 14.039 14.784 1.00 42.43 O ATOM 307 OD2 ASP A 20 -1.837 15.085 14.646 1.00 13.00 O1- ATOM 0 H ASP A 20 -3.223 11.336 15.425 1.00 40.23 H new ATOM 0 HA ASP A 20 -0.584 12.414 14.979 1.00 30.32 H new ATOM 0 HB2 ASP A 20 -2.831 13.055 16.931 1.00 41.01 H new ATOM 0 HB3 ASP A 20 -1.325 13.948 16.871 1.00 41.01 H new ATOM 312 N PRO A 21 0.696 11.828 17.177 1.00 54.53 N ATOM 313 CA PRO A 21 1.498 11.259 18.282 1.00 22.53 C ATOM 314 C PRO A 21 0.766 11.253 19.643 1.00 52.32 C ATOM 315 O PRO A 21 1.218 10.620 20.603 1.00 42.12 O ATOM 316 CB PRO A 21 2.722 12.182 18.333 1.00 3.21 C ATOM 317 CG PRO A 21 2.851 12.709 16.944 1.00 52.45 C ATOM 318 CD PRO A 21 1.443 12.868 16.435 1.00 44.10 C ATOM 0 HA PRO A 21 1.731 10.209 18.104 1.00 22.53 H new ATOM 0 HB2 PRO A 21 2.581 12.989 19.052 1.00 3.21 H new ATOM 0 HB3 PRO A 21 3.617 11.638 18.636 1.00 3.21 H new ATOM 0 HG2 PRO A 21 3.380 13.662 16.935 1.00 52.45 H new ATOM 0 HG3 PRO A 21 3.419 12.022 16.316 1.00 52.45 H new ATOM 0 HD2 PRO A 21 1.052 13.865 16.636 1.00 44.10 H new ATOM 0 HD3 PRO A 21 1.385 12.714 15.357 1.00 44.10 H new ATOM 326 N GLN A 22 -0.353 11.982 19.722 1.00 62.15 N ATOM 327 CA GLN A 22 -1.166 12.052 20.943 1.00 12.43 C ATOM 328 C GLN A 22 -2.320 11.026 20.926 1.00 61.15 C ATOM 329 O GLN A 22 -3.312 11.184 21.639 1.00 24.43 O ATOM 330 CB GLN A 22 -1.726 13.471 21.110 1.00 72.45 C ATOM 331 CG GLN A 22 -0.666 14.565 21.000 1.00 25.52 C ATOM 332 CD GLN A 22 0.446 14.444 22.036 1.00 14.34 C ATOM 333 OE1 GLN A 22 0.118 13.971 23.222 1.00 70.04 O flip ATOM 334 NE2 GLN A 22 1.593 14.795 21.775 1.00 61.51 N flip ATOM 0 H GLN A 22 -0.719 12.536 18.948 1.00 62.15 H new ATOM 0 HA GLN A 22 -0.523 11.807 21.788 1.00 12.43 H new ATOM 0 HB2 GLN A 22 -2.492 13.642 20.353 1.00 72.45 H new ATOM 0 HB3 GLN A 22 -2.215 13.547 22.081 1.00 72.45 H new ATOM 0 HG2 GLN A 22 -0.227 14.535 20.003 1.00 25.52 H new ATOM 0 HG3 GLN A 22 -1.147 15.537 21.107 1.00 25.52 H new ATOM 0 HE21 GLN A 22 1.817 15.157 20.848 1.00 61.51 H new ATOM 0 HE22 GLN A 22 2.322 14.724 22.485 1.00 61.51 H new ATOM 343 N SER A 23 -2.181 9.986 20.099 1.00 22.24 N ATOM 344 CA SER A 23 -3.116 8.840 20.086 1.00 31.15 C ATOM 345 C SER A 23 -4.542 9.202 19.625 1.00 62.23 C ATOM 346 O SER A 23 -5.491 8.473 19.922 1.00 34.42 O ATOM 347 CB SER A 23 -3.180 8.183 21.479 1.00 32.01 C ATOM 348 OG SER A 23 -1.920 7.650 21.866 1.00 51.21 O ATOM 0 H SER A 23 -1.424 9.908 19.420 1.00 22.24 H new ATOM 0 HA SER A 23 -2.716 8.141 19.351 1.00 31.15 H new ATOM 0 HB2 SER A 23 -3.505 8.919 22.214 1.00 32.01 H new ATOM 0 HB3 SER A 23 -3.925 7.388 21.473 1.00 32.01 H new ATOM 0 HG SER A 23 -1.661 6.938 21.244 1.00 51.21 H new ATOM 354 N ASN A 24 -4.699 10.300 18.884 1.00 71.33 N ATOM 355 CA ASN A 24 -6.015 10.663 18.324 1.00 42.02 C ATOM 356 C ASN A 24 -6.086 10.357 16.813 1.00 50.54 C ATOM 357 O ASN A 24 -5.111 10.542 16.083 1.00 53.32 O ATOM 358 CB ASN A 24 -6.354 12.134 18.606 1.00 11.13 C ATOM 359 CG ASN A 24 -5.276 13.098 18.155 1.00 62.33 C ATOM 360 OD1 ASN A 24 -5.279 13.571 17.030 1.00 61.44 O ATOM 361 ND2 ASN A 24 -4.353 13.413 19.040 1.00 41.43 N ATOM 0 H ASN A 24 -3.946 10.950 18.656 1.00 71.33 H new ATOM 0 HA ASN A 24 -6.764 10.048 18.822 1.00 42.02 H new ATOM 0 HB2 ASN A 24 -7.289 12.386 18.105 1.00 11.13 H new ATOM 0 HB3 ASN A 24 -6.521 12.262 19.676 1.00 11.13 H new ATOM 0 HD21 ASN A 24 -3.613 14.070 18.793 1.00 41.43 H new ATOM 0 HD22 ASN A 24 -4.378 13.000 19.972 1.00 41.43 H new ATOM 368 N ILE A 25 -7.257 9.902 16.358 1.00 73.11 N ATOM 369 CA ILE A 25 -7.426 9.355 14.999 1.00 3.33 C ATOM 370 C ILE A 25 -7.466 10.431 13.895 1.00 4.24 C ATOM 371 O ILE A 25 -8.202 11.413 13.989 1.00 73.34 O ATOM 372 CB ILE A 25 -8.733 8.516 14.901 1.00 34.30 C ATOM 373 CG1 ILE A 25 -8.705 7.330 15.880 1.00 3.13 C ATOM 374 CG2 ILE A 25 -8.965 8.019 13.470 1.00 54.23 C ATOM 375 CD1 ILE A 25 -7.660 6.285 15.555 1.00 64.15 C ATOM 0 H ILE A 25 -8.112 9.900 16.913 1.00 73.11 H new ATOM 0 HA ILE A 25 -6.546 8.734 14.832 1.00 3.33 H new ATOM 0 HB ILE A 25 -9.562 9.168 15.176 1.00 34.30 H new ATOM 0 HG12 ILE A 25 -8.525 7.708 16.886 1.00 3.13 H new ATOM 0 HG13 ILE A 25 -9.687 6.856 15.888 1.00 3.13 H new ATOM 0 HG21 ILE A 25 -9.885 7.436 13.432 1.00 54.23 H new ATOM 0 HG22 ILE A 25 -9.048 8.873 12.797 1.00 54.23 H new ATOM 0 HG23 ILE A 25 -8.127 7.394 13.161 1.00 54.23 H new ATOM 0 HD11 ILE A 25 -7.706 5.483 16.292 1.00 64.15 H new ATOM 0 HD12 ILE A 25 -7.850 5.877 14.562 1.00 64.15 H new ATOM 0 HD13 ILE A 25 -6.670 6.741 15.576 1.00 64.15 H new ATOM 387 N ARG A 26 -6.666 10.226 12.845 1.00 41.11 N ATOM 388 CA ARG A 26 -6.842 10.950 11.576 1.00 52.55 C ATOM 389 C ARG A 26 -7.411 10.004 10.511 1.00 62.43 C ATOM 390 O ARG A 26 -8.338 10.345 9.775 1.00 33.25 O ATOM 391 CB ARG A 26 -5.510 11.518 11.062 1.00 54.44 C ATOM 392 CG ARG A 26 -4.911 12.620 11.926 1.00 23.22 C ATOM 393 CD ARG A 26 -3.729 13.286 11.225 1.00 63.31 C ATOM 394 NE ARG A 26 -3.163 14.376 12.015 1.00 40.54 N ATOM 395 CZ ARG A 26 -2.769 15.522 11.526 1.00 5.20 C ATOM 396 NH1 ARG A 26 -2.870 15.774 10.261 1.00 32.22 N1+ ATOM 397 NH2 ARG A 26 -2.268 16.415 12.313 1.00 14.40 N ATOM 0 H ARG A 26 -5.889 9.565 12.845 1.00 41.11 H new ATOM 0 HA ARG A 26 -7.529 11.775 11.762 1.00 52.55 H new ATOM 0 HB2 ARG A 26 -4.789 10.704 10.985 1.00 54.44 H new ATOM 0 HB3 ARG A 26 -5.661 11.907 10.055 1.00 54.44 H new ATOM 0 HG2 ARG A 26 -5.673 13.366 12.149 1.00 23.22 H new ATOM 0 HG3 ARG A 26 -4.585 12.203 12.879 1.00 23.22 H new ATOM 0 HD2 ARG A 26 -2.957 12.541 11.031 1.00 63.31 H new ATOM 0 HD3 ARG A 26 -4.052 13.670 10.257 1.00 63.31 H new ATOM 0 HE ARG A 26 -3.068 14.233 13.020 1.00 40.54 H new ATOM 0 HH11 ARG A 26 -3.261 15.074 9.631 1.00 32.22 H new ATOM 0 HH12 ARG A 26 -2.558 16.673 9.894 1.00 32.22 H new ATOM 0 HH21 ARG A 26 -2.181 16.224 13.311 1.00 14.40 H new ATOM 0 HH22 ARG A 26 -1.959 17.311 11.936 1.00 14.40 H new ATOM 411 N ASN A 27 -6.852 8.796 10.468 1.00 3.33 N ATOM 412 CA ASN A 27 -7.209 7.781 9.472 1.00 21.22 C ATOM 413 C ASN A 27 -7.434 6.419 10.146 1.00 52.34 C ATOM 414 O ASN A 27 -6.486 5.658 10.351 1.00 21.33 O ATOM 415 CB ASN A 27 -6.082 7.663 8.435 1.00 65.20 C ATOM 416 CG ASN A 27 -5.869 8.947 7.657 1.00 4.24 C ATOM 417 OD1 ASN A 27 -6.817 9.629 7.294 1.00 41.35 O ATOM 418 ND2 ASN A 27 -4.623 9.305 7.425 1.00 32.00 N ATOM 0 H ASN A 27 -6.135 8.490 11.125 1.00 3.33 H new ATOM 0 HA ASN A 27 -8.133 8.083 8.979 1.00 21.22 H new ATOM 0 HB2 ASN A 27 -5.155 7.391 8.940 1.00 65.20 H new ATOM 0 HB3 ASN A 27 -6.315 6.856 7.740 1.00 65.20 H new ATOM 0 HD21 ASN A 27 -4.426 10.174 6.929 1.00 32.00 H new ATOM 0 HD22 ASN A 27 -3.855 8.713 7.741 1.00 32.00 H new ATOM 425 N MET A 28 -8.682 6.116 10.498 1.00 60.22 N ATOM 426 CA MET A 28 -8.998 4.860 11.189 1.00 33.42 C ATOM 427 C MET A 28 -8.667 3.647 10.303 1.00 44.51 C ATOM 428 O MET A 28 -8.241 2.603 10.798 1.00 1.34 O ATOM 429 CB MET A 28 -10.474 4.832 11.608 1.00 2.30 C ATOM 430 CG MET A 28 -10.853 3.617 12.451 1.00 44.01 C ATOM 431 SD MET A 28 -12.560 3.681 13.031 1.00 3.12 S ATOM 432 CE MET A 28 -13.447 3.708 11.476 1.00 5.32 C ATOM 0 H MET A 28 -9.488 6.715 10.319 1.00 60.22 H new ATOM 0 HA MET A 28 -8.382 4.803 12.086 1.00 33.42 H new ATOM 0 HB2 MET A 28 -10.699 5.738 12.171 1.00 2.30 H new ATOM 0 HB3 MET A 28 -11.096 4.850 10.713 1.00 2.30 H new ATOM 0 HG2 MET A 28 -10.707 2.711 11.863 1.00 44.01 H new ATOM 0 HG3 MET A 28 -10.184 3.551 13.309 1.00 44.01 H new ATOM 0 HE1 MET A 28 -14.487 3.429 11.645 1.00 5.32 H new ATOM 0 HE2 MET A 28 -13.405 4.711 11.051 1.00 5.32 H new ATOM 0 HE3 MET A 28 -12.990 3.001 10.784 1.00 5.32 H new ATOM 442 N VAL A 29 -8.851 3.802 8.992 1.00 62.43 N ATOM 443 CA VAL A 29 -8.481 2.755 8.030 1.00 65.21 C ATOM 444 C VAL A 29 -6.980 2.432 8.110 1.00 74.02 C ATOM 445 O VAL A 29 -6.581 1.268 8.123 1.00 24.01 O ATOM 446 CB VAL A 29 -8.834 3.169 6.579 1.00 33.21 C ATOM 447 CG1 VAL A 29 -8.375 2.106 5.579 1.00 65.10 C ATOM 448 CG2 VAL A 29 -10.333 3.437 6.445 1.00 53.02 C ATOM 0 H VAL A 29 -9.253 4.639 8.569 1.00 62.43 H new ATOM 0 HA VAL A 29 -9.054 1.867 8.295 1.00 65.21 H new ATOM 0 HB VAL A 29 -8.302 4.093 6.350 1.00 33.21 H new ATOM 0 HG11 VAL A 29 -8.635 2.421 4.568 1.00 65.10 H new ATOM 0 HG12 VAL A 29 -7.295 1.979 5.653 1.00 65.10 H new ATOM 0 HG13 VAL A 29 -8.868 1.160 5.802 1.00 65.10 H new ATOM 0 HG21 VAL A 29 -10.561 3.726 5.419 1.00 53.02 H new ATOM 0 HG22 VAL A 29 -10.888 2.534 6.699 1.00 53.02 H new ATOM 0 HG23 VAL A 29 -10.621 4.242 7.121 1.00 53.02 H new ATOM 458 N ALA A 30 -6.153 3.476 8.179 1.00 34.15 N ATOM 459 CA ALA A 30 -4.700 3.306 8.274 1.00 21.15 C ATOM 460 C ALA A 30 -4.298 2.586 9.575 1.00 34.22 C ATOM 461 O ALA A 30 -3.306 1.854 9.611 1.00 44.32 O ATOM 462 CB ALA A 30 -4.002 4.655 8.160 1.00 22.23 C ATOM 0 H ALA A 30 -6.463 4.448 8.171 1.00 34.15 H new ATOM 0 HA ALA A 30 -4.380 2.677 7.444 1.00 21.15 H new ATOM 0 HB1 ALA A 30 -2.924 4.514 8.232 1.00 22.23 H new ATOM 0 HB2 ALA A 30 -4.245 5.110 7.200 1.00 22.23 H new ATOM 0 HB3 ALA A 30 -4.337 5.307 8.966 1.00 22.23 H new ATOM 468 N VAL A 31 -5.071 2.801 10.644 1.00 20.24 N ATOM 469 CA VAL A 31 -4.885 2.052 11.897 1.00 42.44 C ATOM 470 C VAL A 31 -5.085 0.552 11.656 1.00 22.14 C ATOM 471 O VAL A 31 -4.311 -0.282 12.134 1.00 4.14 O ATOM 472 CB VAL A 31 -5.870 2.519 13.004 1.00 12.24 C ATOM 473 CG1 VAL A 31 -5.692 1.693 14.280 1.00 24.23 C ATOM 474 CG2 VAL A 31 -5.692 4.006 13.294 1.00 35.21 C ATOM 0 H VAL A 31 -5.829 3.483 10.670 1.00 20.24 H new ATOM 0 HA VAL A 31 -3.867 2.245 12.235 1.00 42.44 H new ATOM 0 HB VAL A 31 -6.885 2.362 12.639 1.00 12.24 H new ATOM 0 HG11 VAL A 31 -6.393 2.040 15.039 1.00 24.23 H new ATOM 0 HG12 VAL A 31 -5.883 0.642 14.063 1.00 24.23 H new ATOM 0 HG13 VAL A 31 -4.673 1.808 14.648 1.00 24.23 H new ATOM 0 HG21 VAL A 31 -6.392 4.311 14.072 1.00 35.21 H new ATOM 0 HG22 VAL A 31 -4.672 4.192 13.630 1.00 35.21 H new ATOM 0 HG23 VAL A 31 -5.885 4.579 12.387 1.00 35.21 H new ATOM 484 N LEU A 32 -6.128 0.220 10.898 1.00 24.32 N ATOM 485 CA LEU A 32 -6.401 -1.167 10.518 1.00 60.53 C ATOM 486 C LEU A 32 -5.221 -1.767 9.739 1.00 11.44 C ATOM 487 O LEU A 32 -4.947 -2.960 9.838 1.00 62.41 O ATOM 488 CB LEU A 32 -7.684 -1.244 9.678 1.00 15.12 C ATOM 489 CG LEU A 32 -8.950 -0.693 10.357 1.00 71.33 C ATOM 490 CD1 LEU A 32 -10.156 -0.797 9.426 1.00 11.02 C ATOM 491 CD2 LEU A 32 -9.220 -1.416 11.674 1.00 74.34 C ATOM 0 H LEU A 32 -6.801 0.894 10.533 1.00 24.32 H new ATOM 0 HA LEU A 32 -6.538 -1.748 11.430 1.00 60.53 H new ATOM 0 HB2 LEU A 32 -7.523 -0.697 8.749 1.00 15.12 H new ATOM 0 HB3 LEU A 32 -7.860 -2.285 9.409 1.00 15.12 H new ATOM 0 HG LEU A 32 -8.782 0.361 10.577 1.00 71.33 H new ATOM 0 HD11 LEU A 32 -11.039 -0.401 9.928 1.00 11.02 H new ATOM 0 HD12 LEU A 32 -9.966 -0.222 8.519 1.00 11.02 H new ATOM 0 HD13 LEU A 32 -10.325 -1.842 9.165 1.00 11.02 H new ATOM 0 HD21 LEU A 32 -10.120 -1.009 12.135 1.00 74.34 H new ATOM 0 HD22 LEU A 32 -9.360 -2.480 11.483 1.00 74.34 H new ATOM 0 HD23 LEU A 32 -8.373 -1.276 12.346 1.00 74.34 H new ATOM 503 N GLU A 33 -4.529 -0.930 8.965 1.00 10.44 N ATOM 504 CA GLU A 33 -3.330 -1.358 8.232 1.00 41.25 C ATOM 505 C GLU A 33 -2.168 -1.673 9.193 1.00 1.14 C ATOM 506 O GLU A 33 -1.394 -2.610 8.965 1.00 50.44 O ATOM 507 CB GLU A 33 -2.916 -0.282 7.222 1.00 55.33 C ATOM 508 CG GLU A 33 -4.048 0.128 6.285 1.00 50.33 C ATOM 509 CD GLU A 33 -3.593 1.054 5.170 1.00 35.42 C ATOM 510 OE1 GLU A 33 -3.746 0.681 3.986 1.00 21.43 O ATOM 511 OE2 GLU A 33 -3.079 2.151 5.469 1.00 71.24 O1- ATOM 0 H GLU A 33 -4.776 0.050 8.827 1.00 10.44 H new ATOM 0 HA GLU A 33 -3.572 -2.274 7.693 1.00 41.25 H new ATOM 0 HB2 GLU A 33 -2.563 0.597 7.761 1.00 55.33 H new ATOM 0 HB3 GLU A 33 -2.078 -0.651 6.630 1.00 55.33 H new ATOM 0 HG2 GLU A 33 -4.492 -0.766 5.848 1.00 50.33 H new ATOM 0 HG3 GLU A 33 -4.829 0.622 6.863 1.00 50.33 H new ATOM 518 N VAL A 34 -2.047 -0.887 10.268 1.00 75.51 N ATOM 519 CA VAL A 34 -1.067 -1.174 11.326 1.00 61.22 C ATOM 520 C VAL A 34 -1.379 -2.517 11.988 1.00 35.25 C ATOM 521 O VAL A 34 -0.521 -3.391 12.094 1.00 24.34 O ATOM 522 CB VAL A 34 -1.060 -0.078 12.425 1.00 33.11 C ATOM 523 CG1 VAL A 34 -0.022 -0.391 13.503 1.00 73.43 C ATOM 524 CG2 VAL A 34 -0.808 1.293 11.819 1.00 75.52 C ATOM 0 H VAL A 34 -2.610 -0.052 10.430 1.00 75.51 H new ATOM 0 HA VAL A 34 -0.087 -1.200 10.849 1.00 61.22 H new ATOM 0 HB VAL A 34 -2.043 -0.068 12.895 1.00 33.11 H new ATOM 0 HG11 VAL A 34 -0.037 0.392 14.261 1.00 73.43 H new ATOM 0 HG12 VAL A 34 -0.256 -1.349 13.966 1.00 73.43 H new ATOM 0 HG13 VAL A 34 0.969 -0.439 13.051 1.00 73.43 H new ATOM 0 HG21 VAL A 34 -0.808 2.045 12.608 1.00 75.52 H new ATOM 0 HG22 VAL A 34 0.158 1.296 11.314 1.00 75.52 H new ATOM 0 HG23 VAL A 34 -1.594 1.523 11.099 1.00 75.52 H new ATOM 534 N ILE A 35 -2.631 -2.676 12.407 1.00 13.33 N ATOM 535 CA ILE A 35 -3.096 -3.922 13.015 1.00 61.31 C ATOM 536 C ILE A 35 -2.939 -5.100 12.035 1.00 34.20 C ATOM 537 O ILE A 35 -2.581 -6.206 12.430 1.00 2.22 O ATOM 538 CB ILE A 35 -4.575 -3.795 13.466 1.00 60.12 C ATOM 539 CG1 ILE A 35 -4.730 -2.626 14.456 1.00 50.52 C ATOM 540 CG2 ILE A 35 -5.064 -5.102 14.089 1.00 61.43 C ATOM 541 CD1 ILE A 35 -6.157 -2.379 14.897 1.00 34.54 C ATOM 0 H ILE A 35 -3.347 -1.953 12.337 1.00 13.33 H new ATOM 0 HA ILE A 35 -2.481 -4.117 13.893 1.00 61.31 H new ATOM 0 HB ILE A 35 -5.189 -3.590 12.589 1.00 60.12 H new ATOM 0 HG12 ILE A 35 -4.118 -2.824 15.336 1.00 50.52 H new ATOM 0 HG13 ILE A 35 -4.341 -1.718 13.995 1.00 50.52 H new ATOM 0 HG21 ILE A 35 -6.103 -4.991 14.398 1.00 61.43 H new ATOM 0 HG22 ILE A 35 -4.987 -5.905 13.356 1.00 61.43 H new ATOM 0 HG23 ILE A 35 -4.451 -5.343 14.957 1.00 61.43 H new ATOM 0 HD11 ILE A 35 -6.183 -1.540 15.593 1.00 34.54 H new ATOM 0 HD12 ILE A 35 -6.772 -2.148 14.027 1.00 34.54 H new ATOM 0 HD13 ILE A 35 -6.545 -3.271 15.389 1.00 34.54 H new ATOM 553 N SER A 36 -3.187 -4.832 10.752 1.00 12.21 N ATOM 554 CA SER A 36 -2.973 -5.816 9.677 1.00 52.35 C ATOM 555 C SER A 36 -1.512 -6.279 9.643 1.00 65.55 C ATOM 556 O SER A 36 -1.221 -7.468 9.490 1.00 1.21 O ATOM 557 CB SER A 36 -3.355 -5.202 8.320 1.00 35.41 C ATOM 558 OG SER A 36 -3.069 -6.078 7.239 1.00 33.21 O ATOM 0 H SER A 36 -3.540 -3.933 10.425 1.00 12.21 H new ATOM 0 HA SER A 36 -3.605 -6.681 9.875 1.00 52.35 H new ATOM 0 HB2 SER A 36 -4.418 -4.959 8.318 1.00 35.41 H new ATOM 0 HB3 SER A 36 -2.814 -4.266 8.181 1.00 35.41 H new ATOM 0 HG SER A 36 -3.327 -5.652 6.395 1.00 33.21 H new ATOM 564 N SER A 37 -0.595 -5.328 9.797 1.00 53.04 N ATOM 565 CA SER A 37 0.837 -5.640 9.875 1.00 44.34 C ATOM 566 C SER A 37 1.156 -6.427 11.154 1.00 42.24 C ATOM 567 O SER A 37 1.890 -7.409 11.121 1.00 63.14 O ATOM 568 CB SER A 37 1.673 -4.354 9.835 1.00 70.52 C ATOM 569 OG SER A 37 1.446 -3.624 8.637 1.00 52.12 O ATOM 0 H SER A 37 -0.813 -4.334 9.871 1.00 53.04 H new ATOM 0 HA SER A 37 1.092 -6.256 9.012 1.00 44.34 H new ATOM 0 HB2 SER A 37 1.426 -3.731 10.695 1.00 70.52 H new ATOM 0 HB3 SER A 37 2.731 -4.604 9.916 1.00 70.52 H new ATOM 0 HG SER A 37 0.539 -3.252 8.647 1.00 52.12 H new ATOM 575 N LEU A 38 0.581 -5.987 12.273 1.00 42.55 N ATOM 576 CA LEU A 38 0.760 -6.646 13.578 1.00 4.41 C ATOM 577 C LEU A 38 0.269 -8.107 13.563 1.00 12.01 C ATOM 578 O LEU A 38 0.900 -8.989 14.149 1.00 23.34 O ATOM 579 CB LEU A 38 0.026 -5.843 14.674 1.00 72.11 C ATOM 580 CG LEU A 38 0.876 -4.793 15.412 1.00 3.32 C ATOM 581 CD1 LEU A 38 1.427 -3.751 14.447 1.00 21.55 C ATOM 582 CD2 LEU A 38 0.063 -4.127 16.521 1.00 32.24 C ATOM 0 H LEU A 38 -0.022 -5.165 12.306 1.00 42.55 H new ATOM 0 HA LEU A 38 1.828 -6.669 13.795 1.00 4.41 H new ATOM 0 HB2 LEU A 38 -0.827 -5.339 14.220 1.00 72.11 H new ATOM 0 HB3 LEU A 38 -0.371 -6.544 15.408 1.00 72.11 H new ATOM 0 HG LEU A 38 1.724 -5.307 15.866 1.00 3.32 H new ATOM 0 HD11 LEU A 38 2.023 -3.024 14.998 1.00 21.55 H new ATOM 0 HD12 LEU A 38 2.052 -4.241 13.701 1.00 21.55 H new ATOM 0 HD13 LEU A 38 0.601 -3.242 13.951 1.00 21.55 H new ATOM 0 HD21 LEU A 38 0.681 -3.388 17.031 1.00 32.24 H new ATOM 0 HD22 LEU A 38 -0.808 -3.635 16.088 1.00 32.24 H new ATOM 0 HD23 LEU A 38 -0.264 -4.882 17.236 1.00 32.24 H new ATOM 594 N GLU A 39 -0.856 -8.355 12.891 1.00 52.34 N ATOM 595 CA GLU A 39 -1.411 -9.712 12.776 1.00 22.32 C ATOM 596 C GLU A 39 -0.466 -10.654 12.001 1.00 52.30 C ATOM 597 O GLU A 39 -0.482 -11.872 12.206 1.00 64.41 O ATOM 598 CB GLU A 39 -2.799 -9.673 12.107 1.00 22.12 C ATOM 599 CG GLU A 39 -3.880 -9.002 12.961 1.00 65.21 C ATOM 600 CD GLU A 39 -5.255 -8.992 12.297 1.00 73.02 C ATOM 601 OE1 GLU A 39 -5.700 -7.915 11.834 1.00 14.43 O ATOM 602 OE2 GLU A 39 -5.905 -10.062 12.239 1.00 31.11 O1- ATOM 0 H GLU A 39 -1.403 -7.637 12.417 1.00 52.34 H new ATOM 0 HA GLU A 39 -1.516 -10.109 13.786 1.00 22.32 H new ATOM 0 HB2 GLU A 39 -2.719 -9.144 11.157 1.00 22.12 H new ATOM 0 HB3 GLU A 39 -3.111 -10.692 11.879 1.00 22.12 H new ATOM 0 HG2 GLU A 39 -3.950 -9.519 13.918 1.00 65.21 H new ATOM 0 HG3 GLU A 39 -3.580 -7.976 13.174 1.00 65.21 H new ATOM 609 N LYS A 40 0.338 -10.092 11.096 1.00 64.51 N ATOM 610 CA LYS A 40 1.329 -10.879 10.340 1.00 1.34 C ATOM 611 C LYS A 40 2.748 -10.773 10.939 1.00 52.14 C ATOM 612 O LYS A 40 3.595 -11.639 10.698 1.00 1.42 O ATOM 613 CB LYS A 40 1.372 -10.410 8.880 1.00 13.24 C ATOM 614 CG LYS A 40 0.107 -10.709 8.082 1.00 43.51 C ATOM 615 CD LYS A 40 0.218 -10.177 6.655 1.00 10.23 C ATOM 616 CE LYS A 40 -0.961 -10.603 5.790 1.00 21.44 C ATOM 617 NZ LYS A 40 -0.888 -10.005 4.431 1.00 75.52 N1+ ATOM 0 H LYS A 40 0.327 -9.098 10.865 1.00 64.51 H new ATOM 0 HA LYS A 40 1.014 -11.921 10.398 1.00 1.34 H new ATOM 0 HB2 LYS A 40 1.552 -9.335 8.862 1.00 13.24 H new ATOM 0 HB3 LYS A 40 2.219 -10.883 8.384 1.00 13.24 H new ATOM 0 HG2 LYS A 40 -0.067 -11.785 8.060 1.00 43.51 H new ATOM 0 HG3 LYS A 40 -0.753 -10.257 8.576 1.00 43.51 H new ATOM 0 HD2 LYS A 40 0.275 -9.089 6.678 1.00 10.23 H new ATOM 0 HD3 LYS A 40 1.144 -10.536 6.206 1.00 10.23 H new ATOM 0 HE2 LYS A 40 -0.980 -11.690 5.709 1.00 21.44 H new ATOM 0 HE3 LYS A 40 -1.892 -10.303 6.270 1.00 21.44 H new ATOM 0 HZ1 LYS A 40 -1.706 -10.317 3.870 1.00 75.52 H new ATOM 0 HZ2 LYS A 40 -0.895 -8.968 4.507 1.00 75.52 H new ATOM 0 HZ3 LYS A 40 -0.011 -10.312 3.964 1.00 75.52 H new ATOM 631 N TYR A 41 3.006 -9.714 11.708 1.00 40.34 N ATOM 632 CA TYR A 41 4.348 -9.454 12.258 1.00 40.21 C ATOM 633 C TYR A 41 4.295 -8.973 13.718 1.00 21.11 C ATOM 634 O TYR A 41 4.090 -7.787 13.983 1.00 3.41 O ATOM 635 CB TYR A 41 5.092 -8.409 11.405 1.00 42.30 C ATOM 636 CG TYR A 41 5.389 -8.863 9.988 1.00 3.22 C ATOM 637 CD1 TYR A 41 4.530 -8.553 8.938 1.00 73.35 C ATOM 638 CD2 TYR A 41 6.527 -9.611 9.703 1.00 13.53 C ATOM 639 CE1 TYR A 41 4.797 -8.974 7.650 1.00 32.31 C ATOM 640 CE2 TYR A 41 6.800 -10.032 8.417 1.00 25.23 C ATOM 641 CZ TYR A 41 5.932 -9.713 7.395 1.00 35.10 C ATOM 642 OH TYR A 41 6.199 -10.139 6.112 1.00 54.25 O ATOM 0 H TYR A 41 2.306 -9.019 11.967 1.00 40.34 H new ATOM 0 HA TYR A 41 4.886 -10.402 12.232 1.00 40.21 H new ATOM 0 HB2 TYR A 41 4.496 -7.497 11.365 1.00 42.30 H new ATOM 0 HB3 TYR A 41 6.030 -8.155 11.898 1.00 42.30 H new ATOM 0 HD1 TYR A 41 3.640 -7.974 9.134 1.00 73.35 H new ATOM 0 HD2 TYR A 41 7.208 -9.867 10.501 1.00 13.53 H new ATOM 0 HE1 TYR A 41 4.120 -8.725 6.846 1.00 32.31 H new ATOM 0 HE2 TYR A 41 7.690 -10.609 8.213 1.00 25.23 H new ATOM 0 HH TYR A 41 6.608 -9.408 5.603 1.00 54.25 H new ATOM 652 N PRO A 42 4.468 -9.887 14.691 1.00 11.12 N ATOM 653 CA PRO A 42 4.602 -9.514 16.105 1.00 30.24 C ATOM 654 C PRO A 42 5.961 -8.846 16.392 1.00 5.35 C ATOM 655 O PRO A 42 7.005 -9.323 15.943 1.00 64.30 O ATOM 656 CB PRO A 42 4.473 -10.857 16.858 1.00 24.31 C ATOM 657 CG PRO A 42 4.021 -11.851 15.832 1.00 61.21 C ATOM 658 CD PRO A 42 4.528 -11.342 14.509 1.00 2.20 C ATOM 0 HA PRO A 42 3.853 -8.784 16.411 1.00 30.24 H new ATOM 0 HB2 PRO A 42 5.425 -11.153 17.298 1.00 24.31 H new ATOM 0 HB3 PRO A 42 3.755 -10.782 17.674 1.00 24.31 H new ATOM 0 HG2 PRO A 42 4.420 -12.842 16.047 1.00 61.21 H new ATOM 0 HG3 PRO A 42 2.935 -11.939 15.826 1.00 61.21 H new ATOM 0 HD2 PRO A 42 5.542 -11.685 14.303 1.00 2.20 H new ATOM 0 HD3 PRO A 42 3.904 -11.674 13.679 1.00 2.20 H new ATOM 666 N ILE A 43 5.938 -7.744 17.140 1.00 40.03 N ATOM 667 CA ILE A 43 7.152 -6.972 17.440 1.00 34.45 C ATOM 668 C ILE A 43 8.199 -7.798 18.215 1.00 34.10 C ATOM 669 O ILE A 43 7.898 -8.396 19.250 1.00 4.11 O ATOM 670 CB ILE A 43 6.802 -5.692 18.242 1.00 2.43 C ATOM 671 CG1 ILE A 43 5.852 -4.795 17.426 1.00 52.22 C ATOM 672 CG2 ILE A 43 8.070 -4.933 18.631 1.00 64.40 C ATOM 673 CD1 ILE A 43 5.403 -3.545 18.158 1.00 14.24 C ATOM 0 H ILE A 43 5.088 -7.360 17.554 1.00 40.03 H new ATOM 0 HA ILE A 43 7.591 -6.695 16.481 1.00 34.45 H new ATOM 0 HB ILE A 43 6.294 -5.986 19.160 1.00 2.43 H new ATOM 0 HG12 ILE A 43 6.350 -4.503 16.501 1.00 52.22 H new ATOM 0 HG13 ILE A 43 4.973 -5.375 17.146 1.00 52.22 H new ATOM 0 HG21 ILE A 43 7.801 -4.039 19.193 1.00 64.40 H new ATOM 0 HG22 ILE A 43 8.702 -5.572 19.247 1.00 64.40 H new ATOM 0 HG23 ILE A 43 8.613 -4.646 17.730 1.00 64.40 H new ATOM 0 HD11 ILE A 43 4.737 -2.967 17.517 1.00 14.24 H new ATOM 0 HD12 ILE A 43 4.875 -3.827 19.069 1.00 14.24 H new ATOM 0 HD13 ILE A 43 6.273 -2.941 18.415 1.00 14.24 H new ATOM 685 N THR A 44 9.429 -7.819 17.698 1.00 51.45 N ATOM 686 CA THR A 44 10.538 -8.540 18.343 1.00 62.31 C ATOM 687 C THR A 44 11.164 -7.693 19.475 1.00 64.24 C ATOM 688 O THR A 44 11.017 -6.469 19.501 1.00 41.02 O ATOM 689 CB THR A 44 11.629 -8.929 17.308 1.00 31.34 C ATOM 690 OG1 THR A 44 11.019 -9.502 16.139 1.00 1.31 O ATOM 691 CG2 THR A 44 12.621 -9.937 17.889 1.00 52.33 C ATOM 0 H THR A 44 9.687 -7.345 16.832 1.00 51.45 H new ATOM 0 HA THR A 44 10.128 -9.453 18.775 1.00 62.31 H new ATOM 0 HB THR A 44 12.168 -8.019 17.045 1.00 31.34 H new ATOM 0 HG1 THR A 44 11.714 -9.742 15.492 1.00 1.31 H new ATOM 0 HG21 THR A 44 13.370 -10.186 17.137 1.00 52.33 H new ATOM 0 HG22 THR A 44 13.112 -9.503 18.760 1.00 52.33 H new ATOM 0 HG23 THR A 44 12.089 -10.841 18.185 1.00 52.33 H new ATOM 699 N LYS A 45 11.878 -8.349 20.395 1.00 22.31 N ATOM 700 CA LYS A 45 12.339 -7.705 21.640 1.00 71.31 C ATOM 701 C LYS A 45 13.236 -6.456 21.431 1.00 75.21 C ATOM 702 O LYS A 45 13.012 -5.428 22.073 1.00 63.32 O ATOM 703 CB LYS A 45 13.029 -8.743 22.562 1.00 40.33 C ATOM 704 CG LYS A 45 13.888 -9.798 21.849 1.00 51.21 C ATOM 705 CD LYS A 45 15.180 -9.226 21.270 1.00 62.51 C ATOM 706 CE LYS A 45 16.025 -10.297 20.586 1.00 60.14 C ATOM 707 NZ LYS A 45 17.212 -9.712 19.905 1.00 2.44 N1+ ATOM 0 H LYS A 45 12.152 -9.327 20.305 1.00 22.31 H new ATOM 0 HA LYS A 45 11.440 -7.324 22.125 1.00 71.31 H new ATOM 0 HB2 LYS A 45 13.659 -8.208 23.273 1.00 40.33 H new ATOM 0 HB3 LYS A 45 12.260 -9.256 23.140 1.00 40.33 H new ATOM 0 HG2 LYS A 45 14.133 -10.594 22.552 1.00 51.21 H new ATOM 0 HG3 LYS A 45 13.306 -10.250 21.046 1.00 51.21 H new ATOM 0 HD2 LYS A 45 14.939 -8.442 20.553 1.00 62.51 H new ATOM 0 HD3 LYS A 45 15.760 -8.762 22.068 1.00 62.51 H new ATOM 0 HE2 LYS A 45 16.353 -11.028 21.325 1.00 60.14 H new ATOM 0 HE3 LYS A 45 15.415 -10.832 19.858 1.00 60.14 H new ATOM 0 HZ1 LYS A 45 17.832 -10.477 19.569 1.00 2.44 H new ATOM 0 HZ2 LYS A 45 16.900 -9.138 19.095 1.00 2.44 H new ATOM 0 HZ3 LYS A 45 17.735 -9.111 20.574 1.00 2.44 H new ATOM 721 N GLU A 46 14.227 -6.520 20.535 1.00 75.25 N ATOM 722 CA GLU A 46 15.150 -5.384 20.345 1.00 51.14 C ATOM 723 C GLU A 46 14.431 -4.189 19.705 1.00 72.43 C ATOM 724 O GLU A 46 14.728 -3.034 20.010 1.00 25.31 O ATOM 725 CB GLU A 46 16.399 -5.775 19.524 1.00 34.33 C ATOM 726 CG GLU A 46 16.148 -6.062 18.047 1.00 65.34 C ATOM 727 CD GLU A 46 15.222 -7.239 17.835 1.00 42.41 C ATOM 728 OE1 GLU A 46 15.685 -8.390 17.967 1.00 2.15 O ATOM 729 OE2 GLU A 46 14.029 -7.014 17.566 1.00 2.52 O1- ATOM 0 H GLU A 46 14.413 -7.326 19.939 1.00 75.25 H new ATOM 0 HA GLU A 46 15.495 -5.089 21.336 1.00 51.14 H new ATOM 0 HB2 GLU A 46 17.130 -4.970 19.601 1.00 34.33 H new ATOM 0 HB3 GLU A 46 16.849 -6.659 19.977 1.00 34.33 H new ATOM 0 HG2 GLU A 46 15.720 -5.177 17.576 1.00 65.34 H new ATOM 0 HG3 GLU A 46 17.099 -6.258 17.552 1.00 65.34 H new ATOM 736 N ALA A 47 13.484 -4.476 18.818 1.00 4.12 N ATOM 737 CA ALA A 47 12.655 -3.437 18.212 1.00 64.54 C ATOM 738 C ALA A 47 11.778 -2.748 19.265 1.00 43.40 C ATOM 739 O ALA A 47 11.667 -1.520 19.300 1.00 53.31 O ATOM 740 CB ALA A 47 11.787 -4.039 17.114 1.00 45.14 C ATOM 0 H ALA A 47 13.270 -5.422 18.501 1.00 4.12 H new ATOM 0 HA ALA A 47 13.312 -2.685 17.776 1.00 64.54 H new ATOM 0 HB1 ALA A 47 11.172 -3.258 16.667 1.00 45.14 H new ATOM 0 HB2 ALA A 47 12.424 -4.482 16.348 1.00 45.14 H new ATOM 0 HB3 ALA A 47 11.143 -4.809 17.540 1.00 45.14 H new ATOM 746 N LEU A 48 11.172 -3.554 20.135 1.00 61.03 N ATOM 747 CA LEU A 48 10.269 -3.047 21.169 1.00 75.30 C ATOM 748 C LEU A 48 10.986 -2.068 22.120 1.00 2.11 C ATOM 749 O LEU A 48 10.474 -0.984 22.418 1.00 73.43 O ATOM 750 CB LEU A 48 9.703 -4.231 21.972 1.00 31.41 C ATOM 751 CG LEU A 48 8.565 -3.890 22.948 1.00 1.24 C ATOM 752 CD1 LEU A 48 7.316 -3.459 22.182 1.00 44.15 C ATOM 753 CD2 LEU A 48 8.259 -5.076 23.864 1.00 74.41 C ATOM 0 H LEU A 48 11.291 -4.567 20.145 1.00 61.03 H new ATOM 0 HA LEU A 48 9.461 -2.503 20.680 1.00 75.30 H new ATOM 0 HB2 LEU A 48 9.342 -4.983 21.270 1.00 31.41 H new ATOM 0 HB3 LEU A 48 10.517 -4.686 22.536 1.00 31.41 H new ATOM 0 HG LEU A 48 8.888 -3.058 23.573 1.00 1.24 H new ATOM 0 HD11 LEU A 48 6.520 -3.221 22.888 1.00 44.15 H new ATOM 0 HD12 LEU A 48 7.543 -2.578 21.581 1.00 44.15 H new ATOM 0 HD13 LEU A 48 6.992 -4.269 21.529 1.00 44.15 H new ATOM 0 HD21 LEU A 48 7.451 -4.810 24.545 1.00 74.41 H new ATOM 0 HD22 LEU A 48 7.959 -5.933 23.261 1.00 74.41 H new ATOM 0 HD23 LEU A 48 9.149 -5.331 24.439 1.00 74.41 H new ATOM 765 N GLU A 49 12.176 -2.455 22.582 1.00 24.01 N ATOM 766 CA GLU A 49 12.964 -1.626 23.505 1.00 40.30 C ATOM 767 C GLU A 49 13.594 -0.395 22.816 1.00 23.00 C ATOM 768 O GLU A 49 13.525 0.721 23.340 1.00 3.32 O ATOM 769 CB GLU A 49 14.055 -2.467 24.191 1.00 54.42 C ATOM 770 CG GLU A 49 15.071 -3.080 23.233 1.00 15.04 C ATOM 771 CD GLU A 49 16.129 -3.909 23.944 1.00 53.23 C ATOM 772 OE1 GLU A 49 17.141 -3.334 24.392 1.00 63.44 O ATOM 773 OE2 GLU A 49 15.957 -5.140 24.059 1.00 42.11 O1- ATOM 0 H GLU A 49 12.619 -3.339 22.333 1.00 24.01 H new ATOM 0 HA GLU A 49 12.269 -1.251 24.257 1.00 40.30 H new ATOM 0 HB2 GLU A 49 14.583 -1.840 24.909 1.00 54.42 H new ATOM 0 HB3 GLU A 49 13.578 -3.267 24.757 1.00 54.42 H new ATOM 0 HG2 GLU A 49 14.549 -3.708 22.511 1.00 15.04 H new ATOM 0 HG3 GLU A 49 15.558 -2.284 22.670 1.00 15.04 H new ATOM 780 N GLU A 50 14.186 -0.598 21.635 1.00 11.34 N ATOM 781 CA GLU A 50 15.003 0.440 20.982 1.00 30.55 C ATOM 782 C GLU A 50 14.173 1.598 20.400 1.00 55.41 C ATOM 783 O GLU A 50 14.395 2.761 20.745 1.00 63.20 O ATOM 784 CB GLU A 50 15.844 -0.194 19.863 1.00 12.33 C ATOM 785 CG GLU A 50 16.724 0.796 19.103 1.00 44.40 C ATOM 786 CD GLU A 50 17.467 0.144 17.948 1.00 15.30 C ATOM 787 OE1 GLU A 50 18.517 -0.488 18.189 1.00 70.14 O ATOM 788 OE2 GLU A 50 16.993 0.241 16.796 1.00 14.14 O1- ATOM 0 H GLU A 50 14.117 -1.469 21.109 1.00 11.34 H new ATOM 0 HA GLU A 50 15.641 0.866 21.756 1.00 30.55 H new ATOM 0 HB2 GLU A 50 16.478 -0.969 20.295 1.00 12.33 H new ATOM 0 HB3 GLU A 50 15.176 -0.686 19.156 1.00 12.33 H new ATOM 0 HG2 GLU A 50 16.106 1.608 18.721 1.00 44.40 H new ATOM 0 HG3 GLU A 50 17.444 1.240 19.790 1.00 44.40 H new ATOM 795 N THR A 51 13.206 1.285 19.538 1.00 23.41 N ATOM 796 CA THR A 51 12.451 2.324 18.812 1.00 42.24 C ATOM 797 C THR A 51 11.177 2.750 19.551 1.00 3.13 C ATOM 798 O THR A 51 10.346 3.478 19.001 1.00 72.33 O ATOM 799 CB THR A 51 12.085 1.873 17.378 1.00 1.10 C ATOM 800 OG1 THR A 51 11.408 0.610 17.410 1.00 24.12 O ATOM 801 CG2 THR A 51 13.332 1.771 16.505 1.00 34.33 C ATOM 0 H THR A 51 12.923 0.329 19.321 1.00 23.41 H new ATOM 0 HA THR A 51 13.117 3.185 18.755 1.00 42.24 H new ATOM 0 HB THR A 51 11.421 2.623 16.948 1.00 1.10 H new ATOM 0 HG1 THR A 51 11.181 0.337 16.496 1.00 24.12 H new ATOM 0 HG21 THR A 51 13.049 1.452 15.502 1.00 34.33 H new ATOM 0 HG22 THR A 51 13.820 2.744 16.452 1.00 34.33 H new ATOM 0 HG23 THR A 51 14.020 1.043 16.936 1.00 34.33 H new ATOM 809 N ARG A 52 11.036 2.292 20.798 1.00 52.25 N ATOM 810 CA ARG A 52 9.903 2.666 21.662 1.00 13.44 C ATOM 811 C ARG A 52 8.568 2.105 21.152 1.00 40.22 C ATOM 812 O ARG A 52 7.505 2.688 21.382 1.00 41.41 O ATOM 813 CB ARG A 52 9.822 4.195 21.819 1.00 35.23 C ATOM 814 CG ARG A 52 11.004 4.786 22.576 1.00 64.42 C ATOM 815 CD ARG A 52 10.886 6.296 22.749 1.00 71.43 C ATOM 816 NE ARG A 52 11.958 6.820 23.594 1.00 21.43 N ATOM 817 CZ ARG A 52 12.191 8.087 23.786 1.00 54.31 C ATOM 818 NH1 ARG A 52 11.463 8.989 23.213 1.00 71.21 N1+ ATOM 819 NH2 ARG A 52 13.156 8.455 24.560 1.00 4.31 N ATOM 0 H ARG A 52 11.698 1.654 21.239 1.00 52.25 H new ATOM 0 HA ARG A 52 10.086 2.219 22.639 1.00 13.44 H new ATOM 0 HB2 ARG A 52 9.767 4.652 20.831 1.00 35.23 H new ATOM 0 HB3 ARG A 52 8.900 4.451 22.341 1.00 35.23 H new ATOM 0 HG2 ARG A 52 11.076 4.315 23.556 1.00 64.42 H new ATOM 0 HG3 ARG A 52 11.926 4.555 22.043 1.00 64.42 H new ATOM 0 HD2 ARG A 52 10.920 6.780 21.773 1.00 71.43 H new ATOM 0 HD3 ARG A 52 9.920 6.539 23.191 1.00 71.43 H new ATOM 0 HE ARG A 52 12.564 6.148 24.065 1.00 21.43 H new ATOM 0 HH11 ARG A 52 10.695 8.712 22.602 1.00 71.21 H new ATOM 0 HH12 ARG A 52 11.657 9.978 23.372 1.00 71.21 H new ATOM 0 HH21 ARG A 52 13.736 7.754 25.021 1.00 4.31 H new ATOM 0 HH22 ARG A 52 13.339 9.447 24.711 1.00 4.31 H new ATOM 833 N LEU A 53 8.624 0.945 20.500 1.00 31.34 N ATOM 834 CA LEU A 53 7.411 0.252 20.051 1.00 75.52 C ATOM 835 C LEU A 53 6.524 -0.165 21.240 1.00 64.23 C ATOM 836 O LEU A 53 5.382 -0.586 21.061 1.00 31.02 O ATOM 837 CB LEU A 53 7.781 -0.963 19.189 1.00 10.40 C ATOM 838 CG LEU A 53 8.359 -0.619 17.805 1.00 60.34 C ATOM 839 CD1 LEU A 53 8.786 -1.881 17.061 1.00 51.11 C ATOM 840 CD2 LEU A 53 7.343 0.171 16.984 1.00 1.22 C ATOM 0 H LEU A 53 9.493 0.463 20.270 1.00 31.34 H new ATOM 0 HA LEU A 53 6.831 0.947 19.443 1.00 75.52 H new ATOM 0 HB2 LEU A 53 8.508 -1.568 19.731 1.00 10.40 H new ATOM 0 HB3 LEU A 53 6.892 -1.579 19.053 1.00 10.40 H new ATOM 0 HG LEU A 53 9.244 0.001 17.951 1.00 60.34 H new ATOM 0 HD11 LEU A 53 9.191 -1.609 16.086 1.00 51.11 H new ATOM 0 HD12 LEU A 53 9.549 -2.403 17.638 1.00 51.11 H new ATOM 0 HD13 LEU A 53 7.923 -2.534 16.927 1.00 51.11 H new ATOM 0 HD21 LEU A 53 7.768 0.406 16.008 1.00 1.22 H new ATOM 0 HD22 LEU A 53 6.440 -0.424 16.853 1.00 1.22 H new ATOM 0 HD23 LEU A 53 7.095 1.096 17.504 1.00 1.22 H new ATOM 852 N GLY A 54 7.063 -0.054 22.454 1.00 52.24 N ATOM 853 CA GLY A 54 6.252 -0.223 23.654 1.00 54.15 C ATOM 854 C GLY A 54 5.122 0.805 23.742 1.00 31.10 C ATOM 855 O GLY A 54 4.053 0.525 24.286 1.00 10.44 O ATOM 0 H GLY A 54 8.047 0.150 22.629 1.00 52.24 H new ATOM 0 HA2 GLY A 54 5.828 -1.227 23.665 1.00 54.15 H new ATOM 0 HA3 GLY A 54 6.888 -0.136 24.535 1.00 54.15 H new ATOM 859 N LYS A 55 5.362 2.012 23.219 1.00 35.23 N ATOM 860 CA LYS A 55 4.302 3.025 23.113 1.00 40.12 C ATOM 861 C LYS A 55 3.164 2.512 22.215 1.00 44.24 C ATOM 862 O LYS A 55 1.985 2.761 22.474 1.00 4.04 O ATOM 863 CB LYS A 55 4.862 4.347 22.559 1.00 24.50 C ATOM 864 CG LYS A 55 3.815 5.455 22.442 1.00 33.00 C ATOM 865 CD LYS A 55 4.412 6.762 21.924 1.00 50.22 C ATOM 866 CE LYS A 55 3.348 7.849 21.782 1.00 70.11 C ATOM 867 NZ LYS A 55 3.917 9.135 21.295 1.00 11.25 N1+ ATOM 0 H LYS A 55 6.271 2.311 22.865 1.00 35.23 H new ATOM 0 HA LYS A 55 3.907 3.212 24.111 1.00 40.12 H new ATOM 0 HB2 LYS A 55 5.670 4.689 23.206 1.00 24.50 H new ATOM 0 HB3 LYS A 55 5.297 4.164 21.576 1.00 24.50 H new ATOM 0 HG2 LYS A 55 3.019 5.131 21.772 1.00 33.00 H new ATOM 0 HG3 LYS A 55 3.360 5.627 23.418 1.00 33.00 H new ATOM 0 HD2 LYS A 55 5.192 7.102 22.606 1.00 50.22 H new ATOM 0 HD3 LYS A 55 4.887 6.588 20.958 1.00 50.22 H new ATOM 0 HE2 LYS A 55 2.576 7.511 21.091 1.00 70.11 H new ATOM 0 HE3 LYS A 55 2.865 8.010 22.746 1.00 70.11 H new ATOM 0 HZ1 LYS A 55 3.146 9.762 20.989 1.00 11.25 H new ATOM 0 HZ2 LYS A 55 4.451 9.591 22.062 1.00 11.25 H new ATOM 0 HZ3 LYS A 55 4.553 8.952 20.493 1.00 11.25 H new ATOM 881 N LEU A 56 3.540 1.777 21.168 1.00 0.03 N ATOM 882 CA LEU A 56 2.577 1.127 20.270 1.00 53.04 C ATOM 883 C LEU A 56 1.710 0.117 21.048 1.00 74.44 C ATOM 884 O LEU A 56 0.534 -0.059 20.745 1.00 3.32 O ATOM 885 CB LEU A 56 3.331 0.455 19.098 1.00 75.10 C ATOM 886 CG LEU A 56 2.478 -0.159 17.961 1.00 22.33 C ATOM 887 CD1 LEU A 56 1.923 -1.528 18.349 1.00 34.32 C ATOM 888 CD2 LEU A 56 1.347 0.786 17.553 1.00 53.11 C ATOM 0 H LEU A 56 4.515 1.614 20.917 1.00 0.03 H new ATOM 0 HA LEU A 56 1.904 1.877 19.854 1.00 53.04 H new ATOM 0 HB2 LEU A 56 3.997 1.196 18.657 1.00 75.10 H new ATOM 0 HB3 LEU A 56 3.960 -0.334 19.510 1.00 75.10 H new ATOM 0 HG LEU A 56 3.135 -0.300 17.103 1.00 22.33 H new ATOM 0 HD11 LEU A 56 1.330 -1.927 17.526 1.00 34.32 H new ATOM 0 HD12 LEU A 56 2.748 -2.207 18.564 1.00 34.32 H new ATOM 0 HD13 LEU A 56 1.295 -1.428 19.234 1.00 34.32 H new ATOM 0 HD21 LEU A 56 0.763 0.331 16.753 1.00 53.11 H new ATOM 0 HD22 LEU A 56 0.702 0.973 18.411 1.00 53.11 H new ATOM 0 HD23 LEU A 56 1.769 1.728 17.203 1.00 53.11 H new ATOM 900 N ILE A 57 2.291 -0.523 22.067 1.00 23.21 N ATOM 901 CA ILE A 57 1.555 -1.489 22.901 1.00 0.14 C ATOM 902 C ILE A 57 0.317 -0.840 23.541 1.00 64.13 C ATOM 903 O ILE A 57 -0.776 -1.410 23.533 1.00 5.42 O ATOM 904 CB ILE A 57 2.462 -2.049 24.033 1.00 4.14 C ATOM 905 CG1 ILE A 57 3.609 -2.892 23.454 1.00 41.13 C ATOM 906 CG2 ILE A 57 1.652 -2.860 25.041 1.00 71.34 C ATOM 907 CD1 ILE A 57 4.519 -3.492 24.512 1.00 71.21 C ATOM 0 H ILE A 57 3.266 -0.393 22.337 1.00 23.21 H new ATOM 0 HA ILE A 57 1.241 -2.302 22.246 1.00 0.14 H new ATOM 0 HB ILE A 57 2.896 -1.198 24.558 1.00 4.14 H new ATOM 0 HG12 ILE A 57 3.188 -3.696 22.850 1.00 41.13 H new ATOM 0 HG13 ILE A 57 4.204 -2.270 22.786 1.00 41.13 H new ATOM 0 HG21 ILE A 57 2.314 -3.238 25.820 1.00 71.34 H new ATOM 0 HG22 ILE A 57 0.889 -2.224 25.490 1.00 71.34 H new ATOM 0 HG23 ILE A 57 1.174 -3.698 24.534 1.00 71.34 H new ATOM 0 HD11 ILE A 57 5.305 -4.073 24.029 1.00 71.21 H new ATOM 0 HD12 ILE A 57 4.969 -2.693 25.101 1.00 71.21 H new ATOM 0 HD13 ILE A 57 3.937 -4.141 25.166 1.00 71.21 H new ATOM 919 N ASN A 58 0.499 0.357 24.087 1.00 42.33 N ATOM 920 CA ASN A 58 -0.609 1.120 24.667 1.00 32.51 C ATOM 921 C ASN A 58 -1.541 1.649 23.567 1.00 71.20 C ATOM 922 O ASN A 58 -2.768 1.564 23.668 1.00 35.13 O ATOM 923 CB ASN A 58 -0.059 2.291 25.492 1.00 71.22 C ATOM 924 CG ASN A 58 -1.147 3.086 26.192 1.00 60.34 C ATOM 925 OD1 ASN A 58 -2.170 2.548 26.596 1.00 35.24 O ATOM 926 ND2 ASN A 58 -0.930 4.375 26.351 1.00 32.31 N ATOM 0 H ASN A 58 1.404 0.824 24.142 1.00 42.33 H new ATOM 0 HA ASN A 58 -1.182 0.458 25.316 1.00 32.51 H new ATOM 0 HB2 ASN A 58 0.639 1.908 26.236 1.00 71.22 H new ATOM 0 HB3 ASN A 58 0.505 2.956 24.838 1.00 71.22 H new ATOM 0 HD21 ASN A 58 -1.624 4.955 26.822 1.00 32.31 H new ATOM 0 HD22 ASN A 58 -0.067 4.794 26.003 1.00 32.31 H new ATOM 933 N ASP A 59 -0.937 2.175 22.507 1.00 24.42 N ATOM 934 CA ASP A 59 -1.676 2.851 21.444 1.00 62.21 C ATOM 935 C ASP A 59 -2.618 1.897 20.678 1.00 63.31 C ATOM 936 O ASP A 59 -3.785 2.221 20.456 1.00 11.34 O ATOM 937 CB ASP A 59 -0.678 3.504 20.484 1.00 70.11 C ATOM 938 CG ASP A 59 -1.350 4.452 19.519 1.00 63.23 C ATOM 939 OD1 ASP A 59 -1.694 4.023 18.403 1.00 21.12 O ATOM 940 OD2 ASP A 59 -1.547 5.632 19.891 1.00 14.34 O1- ATOM 0 H ASP A 59 0.072 2.146 22.360 1.00 24.42 H new ATOM 0 HA ASP A 59 -2.311 3.609 21.902 1.00 62.21 H new ATOM 0 HB2 ASP A 59 0.074 4.045 21.058 1.00 70.11 H new ATOM 0 HB3 ASP A 59 -0.155 2.729 19.924 1.00 70.11 H new ATOM 945 N VAL A 60 -2.130 0.707 20.323 1.00 64.01 N ATOM 946 CA VAL A 60 -2.945 -0.275 19.588 1.00 73.44 C ATOM 947 C VAL A 60 -4.083 -0.818 20.467 1.00 1.12 C ATOM 948 O VAL A 60 -5.188 -1.076 19.991 1.00 41.53 O ATOM 949 CB VAL A 60 -2.089 -1.456 19.051 1.00 22.43 C ATOM 950 CG1 VAL A 60 -1.506 -2.288 20.195 1.00 73.04 C ATOM 951 CG2 VAL A 60 -2.906 -2.333 18.101 1.00 41.53 C ATOM 0 H VAL A 60 -1.180 0.397 20.529 1.00 64.01 H new ATOM 0 HA VAL A 60 -3.373 0.250 18.734 1.00 73.44 H new ATOM 0 HB VAL A 60 -1.255 -1.032 18.492 1.00 22.43 H new ATOM 0 HG11 VAL A 60 -0.913 -3.105 19.785 1.00 73.04 H new ATOM 0 HG12 VAL A 60 -0.872 -1.657 20.818 1.00 73.04 H new ATOM 0 HG13 VAL A 60 -2.317 -2.695 20.799 1.00 73.04 H new ATOM 0 HG21 VAL A 60 -2.286 -3.153 17.738 1.00 41.53 H new ATOM 0 HG22 VAL A 60 -3.769 -2.738 18.631 1.00 41.53 H new ATOM 0 HG23 VAL A 60 -3.247 -1.735 17.256 1.00 41.53 H new ATOM 961 N ARG A 61 -3.801 -0.979 21.756 1.00 71.44 N ATOM 962 CA ARG A 61 -4.817 -1.360 22.744 1.00 3.05 C ATOM 963 C ARG A 61 -5.974 -0.343 22.770 1.00 50.31 C ATOM 964 O ARG A 61 -7.142 -0.704 22.922 1.00 60.31 O ATOM 965 CB ARG A 61 -4.150 -1.455 24.131 1.00 63.41 C ATOM 966 CG ARG A 61 -5.093 -1.234 25.311 1.00 74.42 C ATOM 967 CD ARG A 61 -4.336 -1.184 26.636 1.00 25.24 C ATOM 968 NE ARG A 61 -5.119 -0.542 27.688 1.00 61.32 N ATOM 969 CZ ARG A 61 -4.684 -0.330 28.898 1.00 61.24 C ATOM 970 NH1 ARG A 61 -3.520 -0.759 29.269 1.00 52.33 N1+ ATOM 971 NH2 ARG A 61 -5.423 0.312 29.741 1.00 11.34 N ATOM 0 H ARG A 61 -2.868 -0.851 22.148 1.00 71.44 H new ATOM 0 HA ARG A 61 -5.238 -2.327 22.470 1.00 3.05 H new ATOM 0 HB2 ARG A 61 -3.690 -2.438 24.231 1.00 63.41 H new ATOM 0 HB3 ARG A 61 -3.347 -0.720 24.183 1.00 63.41 H new ATOM 0 HG2 ARG A 61 -5.641 -0.303 25.169 1.00 74.42 H new ATOM 0 HG3 ARG A 61 -5.830 -2.036 25.343 1.00 74.42 H new ATOM 0 HD2 ARG A 61 -4.076 -2.197 26.944 1.00 25.24 H new ATOM 0 HD3 ARG A 61 -3.400 -0.643 26.499 1.00 25.24 H new ATOM 0 HE ARG A 61 -6.067 -0.240 27.461 1.00 61.32 H new ATOM 0 HH11 ARG A 61 -2.931 -1.270 28.611 1.00 52.33 H new ATOM 0 HH12 ARG A 61 -3.192 -0.586 30.219 1.00 52.33 H new ATOM 0 HH21 ARG A 61 -6.343 0.651 29.458 1.00 11.34 H new ATOM 0 HH22 ARG A 61 -5.087 0.480 30.689 1.00 11.34 H new ATOM 985 N LYS A 62 -5.622 0.931 22.630 1.00 23.14 N ATOM 986 CA LYS A 62 -6.589 2.032 22.693 1.00 61.44 C ATOM 987 C LYS A 62 -7.206 2.351 21.306 1.00 73.00 C ATOM 988 O LYS A 62 -8.325 2.859 21.214 1.00 51.51 O ATOM 989 CB LYS A 62 -5.879 3.263 23.275 1.00 55.11 C ATOM 990 CG LYS A 62 -6.808 4.365 23.776 1.00 3.34 C ATOM 991 CD LYS A 62 -6.011 5.504 24.405 1.00 24.02 C ATOM 992 CE LYS A 62 -6.909 6.552 25.050 1.00 72.14 C ATOM 993 NZ LYS A 62 -6.115 7.645 25.671 1.00 21.21 N1+ ATOM 0 H LYS A 62 -4.661 1.234 22.470 1.00 23.14 H new ATOM 0 HA LYS A 62 -7.420 1.737 23.334 1.00 61.44 H new ATOM 0 HB2 LYS A 62 -5.243 2.941 24.100 1.00 55.11 H new ATOM 0 HB3 LYS A 62 -5.223 3.681 22.511 1.00 55.11 H new ATOM 0 HG2 LYS A 62 -7.405 4.747 22.948 1.00 3.34 H new ATOM 0 HG3 LYS A 62 -7.504 3.955 24.508 1.00 3.34 H new ATOM 0 HD2 LYS A 62 -5.333 5.098 25.156 1.00 24.02 H new ATOM 0 HD3 LYS A 62 -5.394 5.978 23.641 1.00 24.02 H new ATOM 0 HE2 LYS A 62 -7.579 6.970 24.299 1.00 72.14 H new ATOM 0 HE3 LYS A 62 -7.534 6.080 25.808 1.00 72.14 H new ATOM 0 HZ1 LYS A 62 -6.758 8.340 26.100 1.00 21.21 H new ATOM 0 HZ2 LYS A 62 -5.493 7.249 26.405 1.00 21.21 H new ATOM 0 HZ3 LYS A 62 -5.537 8.111 24.943 1.00 21.21 H new ATOM 1007 N LYS A 63 -6.463 2.060 20.234 1.00 51.11 N ATOM 1008 CA LYS A 63 -6.918 2.321 18.850 1.00 52.12 C ATOM 1009 C LYS A 63 -7.367 1.034 18.123 1.00 23.43 C ATOM 1010 O LYS A 63 -7.537 1.033 16.903 1.00 13.02 O ATOM 1011 CB LYS A 63 -5.796 2.999 18.030 1.00 53.10 C ATOM 1012 CG LYS A 63 -5.843 4.534 17.997 1.00 0.21 C ATOM 1013 CD LYS A 63 -4.810 5.190 18.915 1.00 23.02 C ATOM 1014 CE LYS A 63 -5.231 5.171 20.375 1.00 72.11 C ATOM 1015 NZ LYS A 63 -6.446 5.998 20.608 1.00 61.14 N1+ ATOM 0 H LYS A 63 -5.535 1.640 20.291 1.00 51.11 H new ATOM 0 HA LYS A 63 -7.780 2.984 18.926 1.00 52.12 H new ATOM 0 HB2 LYS A 63 -4.833 2.690 18.438 1.00 53.10 H new ATOM 0 HB3 LYS A 63 -5.842 2.628 17.006 1.00 53.10 H new ATOM 0 HG2 LYS A 63 -5.678 4.874 16.975 1.00 0.21 H new ATOM 0 HG3 LYS A 63 -6.840 4.867 18.287 1.00 0.21 H new ATOM 0 HD2 LYS A 63 -3.856 4.674 18.809 1.00 23.02 H new ATOM 0 HD3 LYS A 63 -4.652 6.221 18.600 1.00 23.02 H new ATOM 0 HE2 LYS A 63 -5.425 4.144 20.685 1.00 72.11 H new ATOM 0 HE3 LYS A 63 -4.414 5.542 20.994 1.00 72.11 H new ATOM 0 HZ1 LYS A 63 -6.567 6.157 21.629 1.00 61.14 H new ATOM 0 HZ2 LYS A 63 -6.341 6.913 20.125 1.00 61.14 H new ATOM 0 HZ3 LYS A 63 -7.280 5.503 20.233 1.00 61.14 H new ATOM 1029 N THR A 64 -7.584 -0.047 18.872 1.00 23.11 N ATOM 1030 CA THR A 64 -7.869 -1.366 18.271 1.00 33.02 C ATOM 1031 C THR A 64 -9.173 -1.392 17.457 1.00 13.04 C ATOM 1032 O THR A 64 -10.097 -0.613 17.701 1.00 53.53 O ATOM 1033 CB THR A 64 -7.960 -2.475 19.347 1.00 52.04 C ATOM 1034 OG1 THR A 64 -8.295 -3.734 18.734 1.00 24.21 O ATOM 1035 CG2 THR A 64 -9.005 -2.125 20.403 1.00 74.01 C ATOM 0 H THR A 64 -7.570 -0.044 19.892 1.00 23.11 H new ATOM 0 HA THR A 64 -7.031 -1.553 17.599 1.00 33.02 H new ATOM 0 HB THR A 64 -6.988 -2.556 19.833 1.00 52.04 H new ATOM 0 HG1 THR A 64 -9.147 -4.057 19.095 1.00 24.21 H new ATOM 0 HG21 THR A 64 -9.050 -2.920 21.148 1.00 74.01 H new ATOM 0 HG22 THR A 64 -8.732 -1.188 20.888 1.00 74.01 H new ATOM 0 HG23 THR A 64 -9.980 -2.017 19.928 1.00 74.01 H new ATOM 1043 N LYS A 65 -9.234 -2.311 16.488 1.00 52.14 N ATOM 1044 CA LYS A 65 -10.418 -2.481 15.633 1.00 21.55 C ATOM 1045 C LYS A 65 -11.655 -2.888 16.455 1.00 1.43 C ATOM 1046 O LYS A 65 -12.749 -2.353 16.263 1.00 30.44 O ATOM 1047 CB LYS A 65 -10.136 -3.529 14.538 1.00 64.50 C ATOM 1048 CG LYS A 65 -9.612 -4.862 15.077 1.00 42.23 C ATOM 1049 CD LYS A 65 -9.373 -5.888 13.968 1.00 5.41 C ATOM 1050 CE LYS A 65 -8.415 -5.366 12.902 1.00 10.04 C ATOM 1051 NZ LYS A 65 -8.071 -6.409 11.900 1.00 42.21 N1+ ATOM 0 H LYS A 65 -8.472 -2.954 16.274 1.00 52.14 H new ATOM 0 HA LYS A 65 -10.632 -1.521 15.164 1.00 21.55 H new ATOM 0 HB2 LYS A 65 -11.053 -3.710 13.977 1.00 64.50 H new ATOM 0 HB3 LYS A 65 -9.409 -3.121 13.836 1.00 64.50 H new ATOM 0 HG2 LYS A 65 -8.680 -4.691 15.617 1.00 42.23 H new ATOM 0 HG3 LYS A 65 -10.326 -5.266 15.794 1.00 42.23 H new ATOM 0 HD2 LYS A 65 -8.969 -6.803 14.402 1.00 5.41 H new ATOM 0 HD3 LYS A 65 -10.324 -6.148 13.504 1.00 5.41 H new ATOM 0 HE2 LYS A 65 -8.867 -4.513 12.396 1.00 10.04 H new ATOM 0 HE3 LYS A 65 -7.503 -5.007 13.379 1.00 10.04 H new ATOM 0 HZ1 LYS A 65 -8.076 -5.991 10.948 1.00 42.21 H new ATOM 0 HZ2 LYS A 65 -7.126 -6.790 12.106 1.00 42.21 H new ATOM 0 HZ3 LYS A 65 -8.771 -7.177 11.944 1.00 42.21 H new ATOM 1065 N ASN A 66 -11.473 -3.852 17.353 1.00 42.44 N ATOM 1066 CA ASN A 66 -12.536 -4.294 18.258 1.00 51.50 C ATOM 1067 C ASN A 66 -12.064 -4.240 19.719 1.00 32.10 C ATOM 1068 O ASN A 66 -11.047 -4.840 20.075 1.00 71.43 O ATOM 1069 CB ASN A 66 -12.994 -5.711 17.887 1.00 71.10 C ATOM 1070 CG ASN A 66 -14.002 -6.283 18.871 1.00 13.11 C ATOM 1071 OD1 ASN A 66 -14.740 -5.553 19.525 1.00 20.21 O ATOM 1072 ND2 ASN A 66 -14.034 -7.595 18.988 1.00 33.54 N ATOM 0 H ASN A 66 -10.590 -4.348 17.476 1.00 42.44 H new ATOM 0 HA ASN A 66 -13.384 -3.617 18.153 1.00 51.50 H new ATOM 0 HB2 ASN A 66 -13.435 -5.696 16.890 1.00 71.10 H new ATOM 0 HB3 ASN A 66 -12.125 -6.368 17.841 1.00 71.10 H new ATOM 0 HD21 ASN A 66 -14.687 -8.033 19.638 1.00 33.54 H new ATOM 0 HD22 ASN A 66 -13.406 -8.172 18.429 1.00 33.54 H new ATOM 1079 N GLU A 67 -12.812 -3.531 20.560 1.00 23.02 N ATOM 1080 CA GLU A 67 -12.476 -3.389 21.981 1.00 73.21 C ATOM 1081 C GLU A 67 -12.416 -4.756 22.685 1.00 61.21 C ATOM 1082 O GLU A 67 -11.552 -4.999 23.529 1.00 41.33 O ATOM 1083 CB GLU A 67 -13.489 -2.470 22.693 1.00 73.22 C ATOM 1084 CG GLU A 67 -13.526 -1.030 22.164 1.00 32.11 C ATOM 1085 CD GLU A 67 -14.382 -0.858 20.910 1.00 25.41 C ATOM 1086 OE1 GLU A 67 -15.534 -0.390 21.033 1.00 4.33 O ATOM 1087 OE2 GLU A 67 -13.911 -1.187 19.799 1.00 40.12 O1- ATOM 0 H GLU A 67 -13.662 -3.041 20.283 1.00 23.02 H new ATOM 0 HA GLU A 67 -11.487 -2.935 22.039 1.00 73.21 H new ATOM 0 HB2 GLU A 67 -14.484 -2.904 22.597 1.00 73.22 H new ATOM 0 HB3 GLU A 67 -13.253 -2.446 23.757 1.00 73.22 H new ATOM 0 HG2 GLU A 67 -13.908 -0.375 22.947 1.00 32.11 H new ATOM 0 HG3 GLU A 67 -12.508 -0.706 21.946 1.00 32.11 H new ATOM 1094 N GLU A 68 -13.328 -5.654 22.329 1.00 71.53 N ATOM 1095 CA GLU A 68 -13.328 -7.013 22.886 1.00 12.32 C ATOM 1096 C GLU A 68 -12.127 -7.823 22.378 1.00 31.30 C ATOM 1097 O GLU A 68 -11.569 -8.653 23.099 1.00 74.45 O ATOM 1098 CB GLU A 68 -14.645 -7.720 22.549 1.00 45.41 C ATOM 1099 CG GLU A 68 -15.859 -7.063 23.197 1.00 71.31 C ATOM 1100 CD GLU A 68 -15.785 -7.089 24.718 1.00 71.22 C ATOM 1101 OE1 GLU A 68 -15.152 -6.180 25.310 1.00 13.33 O ATOM 1102 OE2 GLU A 68 -16.349 -8.022 25.325 1.00 23.44 O1- ATOM 0 H GLU A 68 -14.076 -5.472 21.660 1.00 71.53 H new ATOM 0 HA GLU A 68 -13.238 -6.939 23.970 1.00 12.32 H new ATOM 0 HB2 GLU A 68 -14.779 -7.730 21.467 1.00 45.41 H new ATOM 0 HB3 GLU A 68 -14.586 -8.759 22.872 1.00 45.41 H new ATOM 0 HG2 GLU A 68 -15.936 -6.030 22.856 1.00 71.31 H new ATOM 0 HG3 GLU A 68 -16.764 -7.575 22.870 1.00 71.31 H new ATOM 1109 N LEU A 69 -11.731 -7.559 21.137 1.00 2.44 N ATOM 1110 CA LEU A 69 -10.539 -8.173 20.542 1.00 32.13 C ATOM 1111 C LEU A 69 -9.271 -7.767 21.312 1.00 21.24 C ATOM 1112 O LEU A 69 -8.344 -8.559 21.444 1.00 44.23 O ATOM 1113 CB LEU A 69 -10.438 -7.783 19.052 1.00 41.41 C ATOM 1114 CG LEU A 69 -9.325 -8.472 18.225 1.00 32.22 C ATOM 1115 CD1 LEU A 69 -9.698 -8.496 16.743 1.00 4.51 C ATOM 1116 CD2 LEU A 69 -7.976 -7.771 18.406 1.00 1.52 C ATOM 0 H LEU A 69 -12.222 -6.917 20.514 1.00 2.44 H new ATOM 0 HA LEU A 69 -10.629 -9.257 20.611 1.00 32.13 H new ATOM 0 HB2 LEU A 69 -11.396 -7.998 18.579 1.00 41.41 H new ATOM 0 HB3 LEU A 69 -10.288 -6.705 18.992 1.00 41.41 H new ATOM 0 HG LEU A 69 -9.231 -9.494 18.591 1.00 32.22 H new ATOM 0 HD11 LEU A 69 -8.905 -8.984 16.176 1.00 4.51 H new ATOM 0 HD12 LEU A 69 -10.630 -9.046 16.611 1.00 4.51 H new ATOM 0 HD13 LEU A 69 -9.826 -7.475 16.383 1.00 4.51 H new ATOM 0 HD21 LEU A 69 -7.218 -8.281 17.811 1.00 1.52 H new ATOM 0 HD22 LEU A 69 -8.058 -6.735 18.078 1.00 1.52 H new ATOM 0 HD23 LEU A 69 -7.690 -7.797 19.458 1.00 1.52 H new ATOM 1128 N ALA A 70 -9.249 -6.536 21.830 1.00 64.34 N ATOM 1129 CA ALA A 70 -8.066 -5.991 22.519 1.00 11.34 C ATOM 1130 C ALA A 70 -7.580 -6.894 23.669 1.00 33.13 C ATOM 1131 O ALA A 70 -6.376 -6.994 23.922 1.00 24.52 O ATOM 1132 CB ALA A 70 -8.367 -4.593 23.048 1.00 24.32 C ATOM 0 H ALA A 70 -10.039 -5.892 21.787 1.00 64.34 H new ATOM 0 HA ALA A 70 -7.262 -5.945 21.784 1.00 11.34 H new ATOM 0 HB1 ALA A 70 -7.487 -4.199 23.556 1.00 24.32 H new ATOM 0 HB2 ALA A 70 -8.630 -3.938 22.217 1.00 24.32 H new ATOM 0 HB3 ALA A 70 -9.199 -4.641 23.750 1.00 24.32 H new ATOM 1138 N LYS A 71 -8.513 -7.549 24.363 1.00 63.44 N ATOM 1139 CA LYS A 71 -8.154 -8.504 25.425 1.00 32.22 C ATOM 1140 C LYS A 71 -7.406 -9.711 24.830 1.00 64.42 C ATOM 1141 O LYS A 71 -6.446 -10.220 25.410 1.00 24.12 O ATOM 1142 CB LYS A 71 -9.403 -8.988 26.192 1.00 64.42 C ATOM 1143 CG LYS A 71 -10.142 -7.898 26.977 1.00 63.24 C ATOM 1144 CD LYS A 71 -10.979 -6.988 26.077 1.00 23.31 C ATOM 1145 CE LYS A 71 -11.764 -5.959 26.887 1.00 14.43 C ATOM 1146 NZ LYS A 71 -12.622 -5.100 26.027 1.00 62.20 N1+ ATOM 0 H LYS A 71 -9.516 -7.440 24.214 1.00 63.44 H new ATOM 0 HA LYS A 71 -7.501 -7.987 26.128 1.00 32.22 H new ATOM 0 HB2 LYS A 71 -10.097 -9.437 25.481 1.00 64.42 H new ATOM 0 HB3 LYS A 71 -9.104 -9.774 26.885 1.00 64.42 H new ATOM 0 HG2 LYS A 71 -10.791 -8.366 27.718 1.00 63.24 H new ATOM 0 HG3 LYS A 71 -9.417 -7.295 27.524 1.00 63.24 H new ATOM 0 HD2 LYS A 71 -10.326 -6.474 25.371 1.00 23.31 H new ATOM 0 HD3 LYS A 71 -11.670 -7.593 25.490 1.00 23.31 H new ATOM 0 HE2 LYS A 71 -12.387 -6.474 27.619 1.00 14.43 H new ATOM 0 HE3 LYS A 71 -11.069 -5.332 27.445 1.00 14.43 H new ATOM 0 HZ1 LYS A 71 -12.948 -4.277 26.573 1.00 62.20 H new ATOM 0 HZ2 LYS A 71 -12.074 -4.775 25.205 1.00 62.20 H new ATOM 0 HZ3 LYS A 71 -13.445 -5.647 25.701 1.00 62.20 H new ATOM 1160 N ARG A 72 -7.863 -10.154 23.664 1.00 11.23 N ATOM 1161 CA ARG A 72 -7.233 -11.260 22.933 1.00 21.34 C ATOM 1162 C ARG A 72 -5.892 -10.820 22.308 1.00 13.20 C ATOM 1163 O ARG A 72 -4.932 -11.588 22.253 1.00 43.41 O ATOM 1164 CB ARG A 72 -8.206 -11.760 21.859 1.00 54.32 C ATOM 1165 CG ARG A 72 -7.831 -13.098 21.227 1.00 25.25 C ATOM 1166 CD ARG A 72 -9.016 -13.688 20.468 1.00 65.32 C ATOM 1167 NE ARG A 72 -10.201 -13.775 21.325 1.00 3.51 N ATOM 1168 CZ ARG A 72 -11.423 -13.963 20.899 1.00 31.25 C ATOM 1169 NH1 ARG A 72 -11.674 -14.129 19.639 1.00 71.43 N1+ ATOM 1170 NH2 ARG A 72 -12.397 -13.979 21.747 1.00 3.33 N ATOM 0 H ARG A 72 -8.679 -9.761 23.195 1.00 11.23 H new ATOM 0 HA ARG A 72 -7.011 -12.072 23.625 1.00 21.34 H new ATOM 0 HB2 ARG A 72 -9.198 -11.849 22.301 1.00 54.32 H new ATOM 0 HB3 ARG A 72 -8.273 -11.009 21.072 1.00 54.32 H new ATOM 0 HG2 ARG A 72 -6.989 -12.962 20.548 1.00 25.25 H new ATOM 0 HG3 ARG A 72 -7.506 -13.793 22.001 1.00 25.25 H new ATOM 0 HD2 ARG A 72 -9.238 -13.071 19.597 1.00 65.32 H new ATOM 0 HD3 ARG A 72 -8.757 -14.680 20.098 1.00 65.32 H new ATOM 0 HE ARG A 72 -10.062 -13.682 22.331 1.00 3.51 H new ATOM 0 HH11 ARG A 72 -10.912 -14.114 18.961 1.00 71.43 H new ATOM 0 HH12 ARG A 72 -12.633 -14.274 19.325 1.00 71.43 H new ATOM 0 HH21 ARG A 72 -12.210 -13.846 22.741 1.00 3.33 H new ATOM 0 HH22 ARG A 72 -13.353 -14.125 21.423 1.00 3.33 H new ATOM 1184 N ALA A 73 -5.845 -9.567 21.846 1.00 23.24 N ATOM 1185 CA ALA A 73 -4.622 -8.959 21.300 1.00 32.21 C ATOM 1186 C ALA A 73 -3.514 -8.918 22.360 1.00 1.41 C ATOM 1187 O ALA A 73 -2.325 -8.993 22.045 1.00 34.22 O ATOM 1188 CB ALA A 73 -4.915 -7.555 20.775 1.00 73.33 C ATOM 0 H ALA A 73 -6.652 -8.943 21.839 1.00 23.24 H new ATOM 0 HA ALA A 73 -4.274 -9.574 20.470 1.00 32.21 H new ATOM 0 HB1 ALA A 73 -4.000 -7.118 20.374 1.00 73.33 H new ATOM 0 HB2 ALA A 73 -5.666 -7.611 19.987 1.00 73.33 H new ATOM 0 HB3 ALA A 73 -5.288 -6.933 21.589 1.00 73.33 H new ATOM 1194 N LYS A 74 -3.932 -8.812 23.621 1.00 41.41 N ATOM 1195 CA LYS A 74 -3.017 -8.811 24.766 1.00 74.31 C ATOM 1196 C LYS A 74 -2.052 -10.010 24.709 1.00 52.45 C ATOM 1197 O LYS A 74 -0.916 -9.912 25.158 1.00 53.22 O ATOM 1198 CB LYS A 74 -3.808 -8.810 26.082 1.00 5.44 C ATOM 1199 CG LYS A 74 -2.936 -8.779 27.336 1.00 40.14 C ATOM 1200 CD LYS A 74 -3.775 -8.708 28.612 1.00 54.44 C ATOM 1201 CE LYS A 74 -4.539 -7.390 28.724 1.00 33.20 C ATOM 1202 NZ LYS A 74 -3.627 -6.225 28.881 1.00 30.32 N1+ ATOM 0 H LYS A 74 -4.915 -8.724 23.879 1.00 41.41 H new ATOM 0 HA LYS A 74 -2.418 -7.902 24.721 1.00 74.31 H new ATOM 0 HB2 LYS A 74 -4.472 -7.946 26.093 1.00 5.44 H new ATOM 0 HB3 LYS A 74 -4.440 -9.698 26.114 1.00 5.44 H new ATOM 0 HG2 LYS A 74 -2.308 -9.669 27.364 1.00 40.14 H new ATOM 0 HG3 LYS A 74 -2.268 -7.919 27.292 1.00 40.14 H new ATOM 0 HD2 LYS A 74 -4.481 -9.538 28.628 1.00 54.44 H new ATOM 0 HD3 LYS A 74 -3.126 -8.825 29.480 1.00 54.44 H new ATOM 0 HE2 LYS A 74 -5.154 -7.251 27.835 1.00 33.20 H new ATOM 0 HE3 LYS A 74 -5.217 -7.436 29.576 1.00 33.20 H new ATOM 0 HZ1 LYS A 74 -4.181 -5.383 29.138 1.00 30.32 H new ATOM 0 HZ2 LYS A 74 -2.933 -6.426 29.629 1.00 30.32 H new ATOM 0 HZ3 LYS A 74 -3.129 -6.051 27.985 1.00 30.32 H new ATOM 1216 N LYS A 75 -2.514 -11.137 24.162 1.00 3.43 N ATOM 1217 CA LYS A 75 -1.669 -12.332 24.000 1.00 31.51 C ATOM 1218 C LYS A 75 -0.351 -11.996 23.277 1.00 42.54 C ATOM 1219 O LYS A 75 0.725 -12.406 23.716 1.00 71.35 O ATOM 1220 CB LYS A 75 -2.430 -13.403 23.199 1.00 44.33 C ATOM 1221 CG LYS A 75 -3.526 -14.118 23.985 1.00 1.14 C ATOM 1222 CD LYS A 75 -2.954 -15.126 24.983 1.00 25.20 C ATOM 1223 CE LYS A 75 -2.502 -16.426 24.310 1.00 71.12 C ATOM 1224 NZ LYS A 75 -1.408 -16.224 23.319 1.00 21.20 N1+ ATOM 0 H LYS A 75 -3.469 -11.251 23.822 1.00 3.43 H new ATOM 0 HA LYS A 75 -1.429 -12.709 24.994 1.00 31.51 H new ATOM 0 HB2 LYS A 75 -2.876 -12.935 22.321 1.00 44.33 H new ATOM 0 HB3 LYS A 75 -1.717 -14.144 22.837 1.00 44.33 H new ATOM 0 HG2 LYS A 75 -4.128 -13.382 24.518 1.00 1.14 H new ATOM 0 HG3 LYS A 75 -4.192 -14.632 23.292 1.00 1.14 H new ATOM 0 HD2 LYS A 75 -2.108 -14.677 25.504 1.00 25.20 H new ATOM 0 HD3 LYS A 75 -3.708 -15.354 25.737 1.00 25.20 H new ATOM 0 HE2 LYS A 75 -2.166 -17.126 25.075 1.00 71.12 H new ATOM 0 HE3 LYS A 75 -3.355 -16.885 23.811 1.00 71.12 H new ATOM 0 HZ1 LYS A 75 -0.898 -17.119 23.178 1.00 21.20 H new ATOM 0 HZ2 LYS A 75 -1.813 -15.910 22.414 1.00 21.20 H new ATOM 0 HZ3 LYS A 75 -0.748 -15.502 23.673 1.00 21.20 H new ATOM 1238 N LEU A 76 -0.433 -11.240 22.181 1.00 0.31 N ATOM 1239 CA LEU A 76 0.770 -10.788 21.470 1.00 61.54 C ATOM 1240 C LEU A 76 1.667 -9.961 22.404 1.00 75.11 C ATOM 1241 O LEU A 76 2.876 -10.175 22.479 1.00 30.42 O ATOM 1242 CB LEU A 76 0.385 -9.954 20.239 1.00 32.23 C ATOM 1243 CG LEU A 76 -0.391 -10.708 19.145 1.00 62.54 C ATOM 1244 CD1 LEU A 76 -0.788 -9.761 18.016 1.00 53.13 C ATOM 1245 CD2 LEU A 76 0.432 -11.877 18.604 1.00 71.50 C ATOM 0 H LEU A 76 -1.311 -10.928 21.767 1.00 0.31 H new ATOM 0 HA LEU A 76 1.323 -11.668 21.140 1.00 61.54 H new ATOM 0 HB2 LEU A 76 -0.217 -9.107 20.569 1.00 32.23 H new ATOM 0 HB3 LEU A 76 1.295 -9.546 19.799 1.00 32.23 H new ATOM 0 HG LEU A 76 -1.301 -11.110 19.590 1.00 62.54 H new ATOM 0 HD11 LEU A 76 -1.336 -10.314 17.253 1.00 53.13 H new ATOM 0 HD12 LEU A 76 -1.421 -8.967 18.413 1.00 53.13 H new ATOM 0 HD13 LEU A 76 0.108 -9.325 17.575 1.00 53.13 H new ATOM 0 HD21 LEU A 76 -0.136 -12.396 17.832 1.00 71.50 H new ATOM 0 HD22 LEU A 76 1.362 -11.501 18.179 1.00 71.50 H new ATOM 0 HD23 LEU A 76 0.658 -12.569 19.415 1.00 71.50 H new ATOM 1257 N LEU A 77 1.048 -9.035 23.133 1.00 63.23 N ATOM 1258 CA LEU A 77 1.760 -8.189 24.100 1.00 42.31 C ATOM 1259 C LEU A 77 2.482 -9.048 25.152 1.00 21.22 C ATOM 1260 O LEU A 77 3.645 -8.805 25.480 1.00 1.34 O ATOM 1261 CB LEU A 77 0.772 -7.233 24.796 1.00 52.42 C ATOM 1262 CG LEU A 77 0.232 -6.060 23.946 1.00 21.23 C ATOM 1263 CD1 LEU A 77 -0.356 -6.534 22.619 1.00 22.22 C ATOM 1264 CD2 LEU A 77 -0.815 -5.275 24.735 1.00 54.25 C ATOM 0 H LEU A 77 0.047 -8.847 23.074 1.00 63.23 H new ATOM 0 HA LEU A 77 2.505 -7.606 23.558 1.00 42.31 H new ATOM 0 HB2 LEU A 77 -0.077 -7.818 25.149 1.00 52.42 H new ATOM 0 HB3 LEU A 77 1.262 -6.819 25.677 1.00 52.42 H new ATOM 0 HG LEU A 77 1.076 -5.410 23.715 1.00 21.23 H new ATOM 0 HD11 LEU A 77 -0.723 -5.676 22.056 1.00 22.22 H new ATOM 0 HD12 LEU A 77 0.415 -7.044 22.041 1.00 22.22 H new ATOM 0 HD13 LEU A 77 -1.180 -7.221 22.811 1.00 22.22 H new ATOM 0 HD21 LEU A 77 -1.188 -4.452 24.126 1.00 54.25 H new ATOM 0 HD22 LEU A 77 -1.642 -5.935 24.999 1.00 54.25 H new ATOM 0 HD23 LEU A 77 -0.363 -4.878 25.644 1.00 54.25 H new ATOM 1276 N ARG A 78 1.784 -10.070 25.651 1.00 64.33 N ATOM 1277 CA ARG A 78 2.341 -11.008 26.634 1.00 11.05 C ATOM 1278 C ARG A 78 3.555 -11.745 26.059 1.00 44.23 C ATOM 1279 O ARG A 78 4.558 -11.951 26.745 1.00 40.34 O ATOM 1280 CB ARG A 78 1.262 -12.015 27.065 1.00 23.44 C ATOM 1281 CG ARG A 78 0.115 -11.380 27.853 1.00 24.02 C ATOM 1282 CD ARG A 78 -1.124 -12.273 27.897 1.00 65.02 C ATOM 1283 NE ARG A 78 -0.877 -13.570 28.529 1.00 13.41 N ATOM 1284 CZ ARG A 78 -1.769 -14.527 28.601 1.00 74.53 C ATOM 1285 NH1 ARG A 78 -2.953 -14.368 28.090 1.00 31.32 N1+ ATOM 1286 NH2 ARG A 78 -1.476 -15.635 29.196 1.00 12.12 N ATOM 0 H ARG A 78 0.820 -10.272 25.388 1.00 64.33 H new ATOM 0 HA ARG A 78 2.670 -10.441 27.505 1.00 11.05 H new ATOM 0 HB2 ARG A 78 0.857 -12.503 26.179 1.00 23.44 H new ATOM 0 HB3 ARG A 78 1.724 -12.792 27.674 1.00 23.44 H new ATOM 0 HG2 ARG A 78 0.447 -11.173 28.870 1.00 24.02 H new ATOM 0 HG3 ARG A 78 -0.146 -10.423 27.402 1.00 24.02 H new ATOM 0 HD2 ARG A 78 -1.917 -11.757 28.439 1.00 65.02 H new ATOM 0 HD3 ARG A 78 -1.484 -12.434 26.881 1.00 65.02 H new ATOM 0 HE ARG A 78 0.043 -13.738 28.937 1.00 13.41 H new ATOM 0 HH11 ARG A 78 -3.195 -13.492 27.627 1.00 31.32 H new ATOM 0 HH12 ARG A 78 -3.640 -15.119 28.151 1.00 31.32 H new ATOM 0 HH21 ARG A 78 -0.552 -15.764 29.609 1.00 12.12 H new ATOM 0 HH22 ARG A 78 -2.169 -16.382 29.254 1.00 12.12 H new ATOM 1300 N SER A 79 3.456 -12.132 24.790 1.00 4.55 N ATOM 1301 CA SER A 79 4.566 -12.784 24.087 1.00 74.44 C ATOM 1302 C SER A 79 5.781 -11.849 23.961 1.00 71.30 C ATOM 1303 O SER A 79 6.926 -12.299 23.994 1.00 10.43 O ATOM 1304 CB SER A 79 4.122 -13.253 22.693 1.00 2.44 C ATOM 1305 OG SER A 79 3.100 -14.241 22.778 1.00 15.15 O ATOM 0 H SER A 79 2.617 -12.007 24.223 1.00 4.55 H new ATOM 0 HA SER A 79 4.863 -13.650 24.678 1.00 74.44 H new ATOM 0 HB2 SER A 79 3.759 -12.400 22.119 1.00 2.44 H new ATOM 0 HB3 SER A 79 4.978 -13.659 22.154 1.00 2.44 H new ATOM 0 HG SER A 79 2.267 -13.825 23.085 1.00 15.15 H new ATOM 1311 N TRP A 80 5.532 -10.545 23.817 1.00 61.05 N ATOM 1312 CA TRP A 80 6.616 -9.547 23.751 1.00 65.34 C ATOM 1313 C TRP A 80 7.234 -9.312 25.142 1.00 21.54 C ATOM 1314 O TRP A 80 8.436 -9.070 25.276 1.00 31.31 O ATOM 1315 CB TRP A 80 6.099 -8.208 23.197 1.00 34.45 C ATOM 1316 CG TRP A 80 5.364 -8.308 21.890 1.00 52.15 C ATOM 1317 CD1 TRP A 80 5.346 -9.362 21.018 1.00 31.13 C ATOM 1318 CD2 TRP A 80 4.547 -7.291 21.305 1.00 61.01 C ATOM 1319 NE1 TRP A 80 4.547 -9.066 19.940 1.00 3.34 N ATOM 1320 CE2 TRP A 80 4.050 -7.797 20.091 1.00 50.51 C ATOM 1321 CE3 TRP A 80 4.184 -6.003 21.698 1.00 25.13 C ATOM 1322 CZ2 TRP A 80 3.206 -7.058 19.267 1.00 71.21 C ATOM 1323 CZ3 TRP A 80 3.351 -5.265 20.882 1.00 22.24 C ATOM 1324 CH2 TRP A 80 2.867 -5.794 19.677 1.00 4.22 C ATOM 0 H TRP A 80 4.594 -10.151 23.744 1.00 61.05 H new ATOM 0 HA TRP A 80 7.380 -9.942 23.081 1.00 65.34 H new ATOM 0 HB2 TRP A 80 5.437 -7.756 23.936 1.00 34.45 H new ATOM 0 HB3 TRP A 80 6.945 -7.532 23.071 1.00 34.45 H new ATOM 0 HD1 TRP A 80 5.881 -10.290 21.156 1.00 31.13 H new ATOM 0 HE1 TRP A 80 4.355 -9.689 19.155 1.00 3.34 H new ATOM 0 HE3 TRP A 80 4.549 -5.590 22.627 1.00 25.13 H new ATOM 0 HZ2 TRP A 80 2.832 -7.465 18.339 1.00 71.21 H new ATOM 0 HZ3 TRP A 80 3.068 -4.265 21.176 1.00 22.24 H new ATOM 0 HH2 TRP A 80 2.215 -5.194 19.060 1.00 4.22 H new ATOM 1335 N GLN A 81 6.397 -9.406 26.178 1.00 24.33 N ATOM 1336 CA GLN A 81 6.821 -9.162 27.567 1.00 60.00 C ATOM 1337 C GLN A 81 8.003 -10.045 27.999 1.00 51.22 C ATOM 1338 O GLN A 81 8.665 -9.740 28.986 1.00 13.01 O ATOM 1339 CB GLN A 81 5.648 -9.354 28.540 1.00 10.43 C ATOM 1340 CG GLN A 81 4.516 -8.346 28.358 1.00 21.51 C ATOM 1341 CD GLN A 81 4.975 -6.898 28.479 1.00 4.31 C ATOM 1342 OE1 GLN A 81 4.989 -6.326 29.564 1.00 50.02 O ATOM 1343 NE2 GLN A 81 5.342 -6.288 27.367 1.00 74.00 N ATOM 0 H GLN A 81 5.412 -9.652 26.083 1.00 24.33 H new ATOM 0 HA GLN A 81 7.159 -8.126 27.601 1.00 60.00 H new ATOM 0 HB2 GLN A 81 5.248 -10.360 28.416 1.00 10.43 H new ATOM 0 HB3 GLN A 81 6.022 -9.284 29.561 1.00 10.43 H new ATOM 0 HG2 GLN A 81 4.060 -8.495 27.379 1.00 21.51 H new ATOM 0 HG3 GLN A 81 3.744 -8.539 29.103 1.00 21.51 H new ATOM 0 HE21 GLN A 81 5.320 -6.789 26.479 1.00 74.00 H new ATOM 0 HE22 GLN A 81 5.648 -5.315 27.396 1.00 74.00 H new ATOM 1352 N LYS A 82 8.268 -11.131 27.266 1.00 43.24 N ATOM 1353 CA LYS A 82 9.335 -12.081 27.636 1.00 24.04 C ATOM 1354 C LYS A 82 10.726 -11.410 27.697 1.00 60.41 C ATOM 1355 O LYS A 82 11.692 -12.015 28.164 1.00 43.13 O ATOM 1356 CB LYS A 82 9.350 -13.275 26.659 1.00 73.31 C ATOM 1357 CG LYS A 82 9.640 -12.914 25.195 1.00 22.14 C ATOM 1358 CD LYS A 82 11.138 -12.868 24.875 1.00 41.21 C ATOM 1359 CE LYS A 82 11.800 -14.235 25.043 1.00 54.21 C ATOM 1360 NZ LYS A 82 13.239 -14.215 24.663 1.00 73.11 N1+ ATOM 0 H LYS A 82 7.763 -11.378 26.415 1.00 43.24 H new ATOM 0 HA LYS A 82 9.113 -12.442 28.640 1.00 24.04 H new ATOM 0 HB2 LYS A 82 10.100 -13.991 26.996 1.00 73.31 H new ATOM 0 HB3 LYS A 82 8.384 -13.778 26.709 1.00 73.31 H new ATOM 0 HG2 LYS A 82 9.157 -13.643 24.544 1.00 22.14 H new ATOM 0 HG3 LYS A 82 9.196 -11.944 24.971 1.00 22.14 H new ATOM 0 HD2 LYS A 82 11.280 -12.519 23.852 1.00 41.21 H new ATOM 0 HD3 LYS A 82 11.627 -12.145 25.529 1.00 41.21 H new ATOM 0 HE2 LYS A 82 11.705 -14.558 26.080 1.00 54.21 H new ATOM 0 HE3 LYS A 82 11.275 -14.968 24.431 1.00 54.21 H new ATOM 0 HZ1 LYS A 82 13.646 -15.163 24.793 1.00 73.11 H new ATOM 0 HZ2 LYS A 82 13.331 -13.933 23.666 1.00 73.11 H new ATOM 0 HZ3 LYS A 82 13.747 -13.535 25.264 1.00 73.11 H new ATOM 1374 N LEU A 83 10.825 -10.175 27.207 1.00 4.12 N ATOM 1375 CA LEU A 83 12.052 -9.379 27.337 1.00 70.55 C ATOM 1376 C LEU A 83 12.178 -8.777 28.752 1.00 71.52 C ATOM 1377 O LEU A 83 13.268 -8.708 29.320 1.00 74.32 O ATOM 1378 CB LEU A 83 12.057 -8.258 26.288 1.00 3.32 C ATOM 1379 CG LEU A 83 13.279 -7.323 26.318 1.00 24.04 C ATOM 1380 CD1 LEU A 83 14.561 -8.089 25.989 1.00 23.30 C ATOM 1381 CD2 LEU A 83 13.081 -6.153 25.358 1.00 30.23 C ATOM 0 H LEU A 83 10.069 -9.700 26.714 1.00 4.12 H new ATOM 0 HA LEU A 83 12.906 -10.036 27.172 1.00 70.55 H new ATOM 0 HB2 LEU A 83 11.993 -8.711 25.299 1.00 3.32 H new ATOM 0 HB3 LEU A 83 11.158 -7.656 26.422 1.00 3.32 H new ATOM 0 HG LEU A 83 13.379 -6.923 27.327 1.00 24.04 H new ATOM 0 HD11 LEU A 83 15.410 -7.406 26.017 1.00 23.30 H new ATOM 0 HD12 LEU A 83 14.709 -8.882 26.722 1.00 23.30 H new ATOM 0 HD13 LEU A 83 14.479 -8.525 24.994 1.00 23.30 H new ATOM 0 HD21 LEU A 83 13.955 -5.502 25.392 1.00 30.23 H new ATOM 0 HD22 LEU A 83 12.951 -6.532 24.344 1.00 30.23 H new ATOM 0 HD23 LEU A 83 12.196 -5.588 25.651 1.00 30.23 H new ATOM 1393 N ILE A 84 11.050 -8.341 29.313 1.00 52.34 N ATOM 1394 CA ILE A 84 11.026 -7.729 30.649 1.00 43.45 C ATOM 1395 C ILE A 84 10.685 -8.774 31.730 1.00 43.52 C ATOM 1396 O ILE A 84 11.008 -8.608 32.910 1.00 1.31 O ATOM 1397 CB ILE A 84 9.992 -6.563 30.723 1.00 70.41 C ATOM 1398 CG1 ILE A 84 10.281 -5.477 29.661 1.00 23.03 C ATOM 1399 CG2 ILE A 84 9.969 -5.940 32.121 1.00 31.23 C ATOM 1400 CD1 ILE A 84 9.896 -5.863 28.245 1.00 75.24 C ATOM 0 H ILE A 84 10.136 -8.399 28.864 1.00 52.34 H new ATOM 0 HA ILE A 84 12.024 -7.330 30.833 1.00 43.45 H new ATOM 0 HB ILE A 84 9.011 -6.989 30.513 1.00 70.41 H new ATOM 0 HG12 ILE A 84 9.746 -4.568 29.934 1.00 23.03 H new ATOM 0 HG13 ILE A 84 11.345 -5.239 29.683 1.00 23.03 H new ATOM 0 HG21 ILE A 84 9.240 -5.130 32.146 1.00 31.23 H new ATOM 0 HG22 ILE A 84 9.693 -6.699 32.853 1.00 31.23 H new ATOM 0 HG23 ILE A 84 10.957 -5.547 32.360 1.00 31.23 H new ATOM 0 HD11 ILE A 84 10.134 -5.043 27.567 1.00 75.24 H new ATOM 0 HD12 ILE A 84 10.451 -6.753 27.947 1.00 75.24 H new ATOM 0 HD13 ILE A 84 8.827 -6.071 28.202 1.00 75.24 H new ATOM 1412 N GLU A 85 10.048 -9.862 31.310 1.00 21.21 N ATOM 1413 CA GLU A 85 9.609 -10.923 32.222 1.00 53.12 C ATOM 1414 C GLU A 85 10.203 -12.281 31.814 1.00 21.15 C ATOM 1415 O GLU A 85 10.345 -12.570 30.625 1.00 75.42 O ATOM 1416 CB GLU A 85 8.075 -11.000 32.236 1.00 54.53 C ATOM 1417 CG GLU A 85 7.391 -9.713 32.700 1.00 74.20 C ATOM 1418 CD GLU A 85 5.877 -9.843 32.821 1.00 10.21 C ATOM 1419 OE1 GLU A 85 5.364 -10.985 32.772 1.00 44.10 O ATOM 1420 OE2 GLU A 85 5.198 -8.807 32.986 1.00 4.02 O1- ATOM 0 H GLU A 85 9.820 -10.037 30.331 1.00 21.21 H new ATOM 0 HA GLU A 85 9.966 -10.684 33.224 1.00 53.12 H new ATOM 0 HB2 GLU A 85 7.725 -11.244 31.233 1.00 54.53 H new ATOM 0 HB3 GLU A 85 7.769 -11.818 32.888 1.00 54.53 H new ATOM 0 HG2 GLU A 85 7.802 -9.420 33.666 1.00 74.20 H new ATOM 0 HG3 GLU A 85 7.625 -8.912 31.998 1.00 74.20 H new ATOM 1427 N PRO A 86 10.551 -13.138 32.794 1.00 64.34 N ATOM 1428 CA PRO A 86 11.215 -14.427 32.519 1.00 65.11 C ATOM 1429 C PRO A 86 10.347 -15.408 31.705 1.00 31.05 C ATOM 1430 O PRO A 86 9.557 -16.171 32.266 1.00 73.42 O ATOM 1431 CB PRO A 86 11.514 -14.984 33.922 1.00 61.41 C ATOM 1432 CG PRO A 86 10.540 -14.300 34.824 1.00 12.23 C ATOM 1433 CD PRO A 86 10.330 -12.929 34.240 1.00 30.42 C ATOM 0 HA PRO A 86 12.102 -14.292 31.901 1.00 65.11 H new ATOM 0 HB2 PRO A 86 11.388 -16.066 33.952 1.00 61.41 H new ATOM 0 HB3 PRO A 86 12.542 -14.775 34.219 1.00 61.41 H new ATOM 0 HG2 PRO A 86 9.601 -14.851 34.875 1.00 12.23 H new ATOM 0 HG3 PRO A 86 10.927 -14.236 35.841 1.00 12.23 H new ATOM 0 HD2 PRO A 86 9.327 -12.554 34.444 1.00 30.42 H new ATOM 0 HD3 PRO A 86 11.031 -12.204 34.653 1.00 30.42 H new ATOM 1441 N ALA A 87 10.489 -15.350 30.376 1.00 40.33 N ATOM 1442 CA ALA A 87 9.837 -16.298 29.450 1.00 14.24 C ATOM 1443 C ALA A 87 8.298 -16.167 29.412 1.00 21.11 C ATOM 1444 O ALA A 87 7.645 -15.929 30.428 1.00 3.41 O ATOM 1445 CB ALA A 87 10.239 -17.733 29.783 1.00 34.32 C ATOM 0 H ALA A 87 11.059 -14.646 29.907 1.00 40.33 H new ATOM 0 HA ALA A 87 10.191 -16.039 28.452 1.00 14.24 H new ATOM 0 HB1 ALA A 87 9.749 -18.418 29.091 1.00 34.32 H new ATOM 0 HB2 ALA A 87 11.320 -17.838 29.694 1.00 34.32 H new ATOM 0 HB3 ALA A 87 9.935 -17.969 30.803 1.00 34.32 H new ATOM 1451 N HIS A 88 7.728 -16.318 28.215 1.00 54.13 N ATOM 1452 CA HIS A 88 6.268 -16.298 28.022 1.00 51.03 C ATOM 1453 C HIS A 88 5.815 -17.323 26.965 1.00 65.31 C ATOM 1454 O HIS A 88 4.660 -17.312 26.536 1.00 73.25 O ATOM 1455 CB HIS A 88 5.793 -14.892 27.617 1.00 75.23 C ATOM 1456 CG HIS A 88 5.521 -13.982 28.778 1.00 2.13 C ATOM 1457 ND1 HIS A 88 4.255 -13.772 29.279 1.00 13.22 N ATOM 1458 CD2 HIS A 88 6.348 -13.217 29.531 1.00 51.04 C ATOM 1459 CE1 HIS A 88 4.313 -12.925 30.282 1.00 14.33 C ATOM 1460 NE2 HIS A 88 5.567 -12.571 30.459 1.00 75.22 N ATOM 0 H HIS A 88 8.257 -16.457 27.354 1.00 54.13 H new ATOM 0 HA HIS A 88 5.816 -16.572 28.975 1.00 51.03 H new ATOM 0 HB2 HIS A 88 6.549 -14.434 26.979 1.00 75.23 H new ATOM 0 HB3 HIS A 88 4.885 -14.984 27.020 1.00 75.23 H new ATOM 0 HD1 HIS A 88 3.403 -14.207 28.925 1.00 13.22 H new ATOM 0 HD2 HIS A 88 7.419 -13.131 29.422 1.00 51.04 H new ATOM 0 HE1 HIS A 88 3.472 -12.578 30.864 1.00 14.33 H new ATOM 0 HE2 HIS A 88 5.905 -11.922 31.170 1.00 75.22 H new ATOM 1469 N GLN A 89 6.715 -18.228 26.585 1.00 54.31 N ATOM 1470 CA GLN A 89 6.448 -19.197 25.511 1.00 44.04 C ATOM 1471 C GLN A 89 5.547 -20.347 25.994 1.00 51.04 C ATOM 1472 O GLN A 89 4.934 -21.051 25.189 1.00 21.21 O ATOM 1473 CB GLN A 89 7.765 -19.765 24.955 1.00 61.44 C ATOM 1474 CG GLN A 89 8.686 -18.726 24.311 1.00 22.11 C ATOM 1475 CD GLN A 89 9.301 -17.754 25.310 1.00 14.00 C ATOM 1476 OE1 GLN A 89 8.755 -16.692 25.590 1.00 61.43 O ATOM 1477 NE2 GLN A 89 10.437 -18.119 25.866 1.00 71.22 N ATOM 0 H GLN A 89 7.641 -18.315 27.004 1.00 54.31 H new ATOM 0 HA GLN A 89 5.923 -18.665 24.718 1.00 44.04 H new ATOM 0 HB2 GLN A 89 8.304 -20.256 25.765 1.00 61.44 H new ATOM 0 HB3 GLN A 89 7.531 -20.532 24.216 1.00 61.44 H new ATOM 0 HG2 GLN A 89 9.486 -19.242 23.779 1.00 22.11 H new ATOM 0 HG3 GLN A 89 8.121 -18.162 23.569 1.00 22.11 H new ATOM 0 HE21 GLN A 89 10.866 -19.009 25.612 1.00 71.22 H new ATOM 0 HE22 GLN A 89 10.888 -17.512 26.551 1.00 71.22 H new ATOM 1486 N HIS A 90 5.494 -20.543 27.311 1.00 61.05 N ATOM 1487 CA HIS A 90 4.608 -21.543 27.922 1.00 12.42 C ATOM 1488 C HIS A 90 3.759 -20.901 29.037 1.00 63.03 C ATOM 1489 O HIS A 90 3.108 -21.592 29.822 1.00 12.25 O ATOM 1490 CB HIS A 90 5.445 -22.708 28.480 1.00 62.23 C ATOM 1491 CG HIS A 90 4.637 -23.911 28.867 1.00 42.44 C ATOM 1492 ND1 HIS A 90 4.117 -24.789 27.944 1.00 61.11 N ATOM 1493 CD2 HIS A 90 4.257 -24.380 30.081 1.00 33.33 C ATOM 1494 CE1 HIS A 90 3.453 -25.740 28.566 1.00 15.21 C ATOM 1495 NE2 HIS A 90 3.523 -25.518 29.861 1.00 42.32 N ATOM 0 H HIS A 90 6.057 -20.020 27.982 1.00 61.05 H new ATOM 0 HA HIS A 90 3.931 -21.930 27.161 1.00 12.42 H new ATOM 0 HB2 HIS A 90 6.181 -23.003 27.732 1.00 62.23 H new ATOM 0 HB3 HIS A 90 5.998 -22.359 29.352 1.00 62.23 H new ATOM 0 HD2 HIS A 90 4.488 -23.941 31.040 1.00 33.33 H new ATOM 0 HE1 HIS A 90 2.938 -26.563 28.093 1.00 15.21 H new ATOM 0 HE2 HIS A 90 3.100 -26.099 30.585 1.00 42.32 H new ATOM 1504 N GLU A 91 3.765 -19.570 29.081 1.00 23.12 N ATOM 1505 CA GLU A 91 3.037 -18.804 30.103 1.00 53.34 C ATOM 1506 C GLU A 91 1.518 -18.876 29.879 1.00 61.22 C ATOM 1507 O GLU A 91 0.739 -18.993 30.831 1.00 24.02 O ATOM 1508 CB GLU A 91 3.545 -17.348 30.090 1.00 44.11 C ATOM 1509 CG GLU A 91 2.821 -16.383 31.033 1.00 53.45 C ATOM 1510 CD GLU A 91 1.625 -15.693 30.387 1.00 32.42 C ATOM 1511 OE1 GLU A 91 1.774 -15.169 29.260 1.00 34.30 O ATOM 1512 OE2 GLU A 91 0.544 -15.651 31.006 1.00 54.33 O1- ATOM 0 H GLU A 91 4.272 -18.989 28.413 1.00 23.12 H new ATOM 0 HA GLU A 91 3.226 -19.239 31.084 1.00 53.34 H new ATOM 0 HB2 GLU A 91 4.605 -17.350 30.346 1.00 44.11 H new ATOM 0 HB3 GLU A 91 3.463 -16.963 29.073 1.00 44.11 H new ATOM 0 HG2 GLU A 91 2.484 -16.930 31.913 1.00 53.45 H new ATOM 0 HG3 GLU A 91 3.525 -15.626 31.378 1.00 53.45 H new ATOM 1519 N ALA A 92 1.109 -18.827 28.615 1.00 41.34 N ATOM 1520 CA ALA A 92 -0.309 -18.924 28.243 1.00 52.34 C ATOM 1521 C ALA A 92 -0.686 -20.361 27.827 1.00 60.33 C ATOM 1522 O ALA A 92 -0.317 -20.777 26.705 1.00 38.13 O ATOM 1523 CB ALA A 92 -0.619 -17.941 27.115 1.00 21.35 C ATOM 1524 OXT ALA A 92 -1.359 -21.066 28.615 1.00 38.13 O ATOM 0 H ALA A 92 1.741 -18.720 27.821 1.00 41.34 H new ATOM 0 HA ALA A 92 -0.908 -18.667 29.116 1.00 52.34 H new ATOM 0 HB1 ALA A 92 -1.672 -18.018 26.844 1.00 21.35 H new ATOM 0 HB2 ALA A 92 -0.403 -16.926 27.448 1.00 21.35 H new ATOM 0 HB3 ALA A 92 -0.003 -18.177 26.247 1.00 21.35 H new TER 1530 ALA A 92