USER MOD reduce.3.24.130724 H: found=0, std=0, add=815, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 816 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 Single : A 2 SER OG : rot 30:sc= 0.274 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 156:sc=-0.00862 (180deg=-0.246) USER MOD Single : A 30 GLN : amide:sc= -4.06 K(o=-4.1,f=-8.4!) USER MOD Single : A 32 ASN : amide:sc= -2.25 K(o=-2.3,f=-7.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.115 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.843 K(o=-0.84,f=-1.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.213 X(o=-0.21,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 149:sc= -0.18 (180deg=-0.787) USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 58 SER OG : rot 180:sc=-0.00998 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.655 USER MOD Single : A 64 THR OG1 : rot -160:sc= -0.729 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 130:sc= -1.67! USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 161:sc= -0.0258 (180deg=-0.214) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 66:sc= 0.562 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 3.041 -1.841 -0.280 1.00 23.13 N ATOM 19 CA SER A 2 4.009 -2.930 -0.232 1.00 70.22 C ATOM 20 C SER A 2 3.629 -4.039 -1.208 1.00 60.42 C ATOM 21 O SER A 2 2.739 -3.870 -2.041 1.00 33.03 O ATOM 22 CB SER A 2 4.104 -3.495 1.187 1.00 14.01 C ATOM 23 OG SER A 2 4.211 -2.455 2.144 1.00 44.23 O ATOM 0 HA SER A 2 4.981 -2.531 -0.523 1.00 70.22 H new ATOM 0 HB2 SER A 2 3.223 -4.101 1.400 1.00 14.01 H new ATOM 0 HB3 SER A 2 4.969 -4.153 1.262 1.00 14.01 H new ATOM 0 HG SER A 2 3.748 -1.657 1.813 1.00 44.23 H new ATOM 29 N VAL A 3 4.311 -5.174 -1.099 1.00 5.10 N ATOM 30 CA VAL A 3 4.046 -6.313 -1.971 1.00 74.43 C ATOM 31 C VAL A 3 2.552 -6.610 -2.048 1.00 53.33 C ATOM 32 O VAL A 3 2.018 -6.881 -3.122 1.00 14.34 O ATOM 33 CB VAL A 3 4.784 -7.575 -1.487 1.00 11.31 C ATOM 34 CG1 VAL A 3 4.339 -8.793 -2.283 1.00 62.02 C ATOM 35 CG2 VAL A 3 6.290 -7.382 -1.590 1.00 71.40 C ATOM 0 H VAL A 3 5.052 -5.330 -0.415 1.00 5.10 H new ATOM 0 HA VAL A 3 4.412 -6.045 -2.962 1.00 74.43 H new ATOM 0 HB VAL A 3 4.532 -7.744 -0.440 1.00 11.31 H new ATOM 0 HG11 VAL A 3 4.871 -9.675 -1.927 1.00 62.02 H new ATOM 0 HG12 VAL A 3 3.267 -8.940 -2.154 1.00 62.02 H new ATOM 0 HG13 VAL A 3 4.560 -8.638 -3.339 1.00 62.02 H new ATOM 0 HG21 VAL A 3 6.797 -8.283 -1.244 1.00 71.40 H new ATOM 0 HG22 VAL A 3 6.562 -7.188 -2.628 1.00 71.40 H new ATOM 0 HG23 VAL A 3 6.592 -6.536 -0.972 1.00 71.40 H new ATOM 45 N GLU A 4 1.884 -6.556 -0.899 1.00 43.03 N ATOM 46 CA GLU A 4 0.451 -6.820 -0.836 1.00 11.43 C ATOM 47 C GLU A 4 -0.298 -6.006 -1.888 1.00 22.33 C ATOM 48 O GLU A 4 -1.289 -6.466 -2.455 1.00 35.51 O ATOM 49 CB GLU A 4 -0.089 -6.493 0.557 1.00 73.40 C ATOM 50 CG GLU A 4 -1.607 -6.474 0.632 1.00 34.13 C ATOM 51 CD GLU A 4 -2.119 -6.148 2.021 1.00 73.21 C ATOM 52 OE1 GLU A 4 -1.312 -6.190 2.975 1.00 60.22 O ATOM 53 OE2 GLU A 4 -3.324 -5.852 2.156 1.00 42.52 O1- ATOM 0 H GLU A 4 2.312 -6.332 -0.001 1.00 43.03 H new ATOM 0 HA GLU A 4 0.293 -7.879 -1.040 1.00 11.43 H new ATOM 0 HB2 GLU A 4 0.292 -7.227 1.267 1.00 73.40 H new ATOM 0 HB3 GLU A 4 0.294 -5.521 0.867 1.00 73.40 H new ATOM 0 HG2 GLU A 4 -1.993 -5.739 -0.075 1.00 34.13 H new ATOM 0 HG3 GLU A 4 -1.994 -7.446 0.325 1.00 34.13 H new ATOM 60 N THR A 5 0.183 -4.794 -2.144 1.00 74.04 N ATOM 61 CA THR A 5 -0.441 -3.915 -3.125 1.00 61.14 C ATOM 62 C THR A 5 0.001 -4.269 -4.540 1.00 11.11 C ATOM 63 O THR A 5 -0.763 -4.123 -5.493 1.00 53.10 O ATOM 64 CB THR A 5 -0.104 -2.437 -2.849 1.00 23.45 C ATOM 65 OG1 THR A 5 -0.460 -2.096 -1.505 1.00 72.15 O ATOM 66 CG2 THR A 5 -0.839 -1.525 -3.820 1.00 71.31 C ATOM 0 H THR A 5 1.004 -4.398 -1.685 1.00 74.04 H new ATOM 0 HA THR A 5 -1.518 -4.057 -3.037 1.00 61.14 H new ATOM 0 HB THR A 5 0.969 -2.300 -2.986 1.00 23.45 H new ATOM 0 HG1 THR A 5 -0.241 -1.156 -1.337 1.00 72.15 H new ATOM 0 HG21 THR A 5 -0.586 -0.487 -3.606 1.00 71.31 H new ATOM 0 HG22 THR A 5 -0.544 -1.768 -4.841 1.00 71.31 H new ATOM 0 HG23 THR A 5 -1.914 -1.667 -3.709 1.00 71.31 H new ATOM 74 N ILE A 6 1.238 -4.737 -4.669 1.00 14.44 N ATOM 75 CA ILE A 6 1.780 -5.114 -5.968 1.00 13.03 C ATOM 76 C ILE A 6 1.136 -6.397 -6.481 1.00 73.35 C ATOM 77 O ILE A 6 0.562 -6.423 -7.570 1.00 33.51 O ATOM 78 CB ILE A 6 3.307 -5.307 -5.907 1.00 41.41 C ATOM 79 CG1 ILE A 6 3.951 -4.195 -5.077 1.00 24.24 C ATOM 80 CG2 ILE A 6 3.894 -5.337 -7.311 1.00 42.51 C ATOM 81 CD1 ILE A 6 3.617 -2.804 -5.568 1.00 64.21 C ATOM 0 H ILE A 6 1.884 -4.864 -3.890 1.00 14.44 H new ATOM 0 HA ILE A 6 1.553 -4.298 -6.653 1.00 13.03 H new ATOM 0 HB ILE A 6 3.519 -6.262 -5.426 1.00 41.41 H new ATOM 0 HG12 ILE A 6 3.628 -4.293 -4.041 1.00 24.24 H new ATOM 0 HG13 ILE A 6 5.033 -4.325 -5.087 1.00 24.24 H new ATOM 0 HG21 ILE A 6 4.974 -5.474 -7.251 1.00 42.51 H new ATOM 0 HG22 ILE A 6 3.454 -6.162 -7.872 1.00 42.51 H new ATOM 0 HG23 ILE A 6 3.675 -4.397 -7.817 1.00 42.51 H new ATOM 0 HD11 ILE A 6 4.107 -2.066 -4.933 1.00 64.21 H new ATOM 0 HD12 ILE A 6 3.965 -2.687 -6.594 1.00 64.21 H new ATOM 0 HD13 ILE A 6 2.538 -2.655 -5.531 1.00 64.21 H new ATOM 93 N ILE A 7 1.235 -7.459 -5.688 1.00 51.41 N ATOM 94 CA ILE A 7 0.659 -8.746 -6.061 1.00 0.02 C ATOM 95 C ILE A 7 -0.852 -8.642 -6.234 1.00 53.31 C ATOM 96 O ILE A 7 -1.443 -9.342 -7.056 1.00 54.10 O ATOM 97 CB ILE A 7 0.971 -9.827 -5.010 1.00 13.24 C ATOM 98 CG1 ILE A 7 2.465 -10.156 -5.013 1.00 70.25 C ATOM 99 CG2 ILE A 7 0.147 -11.078 -5.277 1.00 54.25 C ATOM 100 CD1 ILE A 7 2.955 -10.734 -6.322 1.00 52.51 C ATOM 0 H ILE A 7 1.708 -7.454 -4.784 1.00 51.41 H new ATOM 0 HA ILE A 7 1.112 -9.032 -7.010 1.00 0.02 H new ATOM 0 HB ILE A 7 0.705 -9.443 -4.025 1.00 13.24 H new ATOM 0 HG12 ILE A 7 3.029 -9.250 -4.792 1.00 70.25 H new ATOM 0 HG13 ILE A 7 2.674 -10.865 -4.212 1.00 70.25 H new ATOM 0 HG21 ILE A 7 0.378 -11.833 -4.526 1.00 54.25 H new ATOM 0 HG22 ILE A 7 -0.914 -10.832 -5.229 1.00 54.25 H new ATOM 0 HG23 ILE A 7 0.385 -11.466 -6.267 1.00 54.25 H new ATOM 0 HD11 ILE A 7 4.022 -10.943 -6.251 1.00 52.51 H new ATOM 0 HD12 ILE A 7 2.418 -11.658 -6.535 1.00 52.51 H new ATOM 0 HD13 ILE A 7 2.778 -10.018 -7.125 1.00 52.51 H new ATOM 112 N GLU A 8 -1.474 -7.761 -5.455 1.00 35.43 N ATOM 113 CA GLU A 8 -2.917 -7.566 -5.523 1.00 71.25 C ATOM 114 C GLU A 8 -3.364 -7.313 -6.961 1.00 71.52 C ATOM 115 O GLU A 8 -4.413 -7.793 -7.389 1.00 32.54 O ATOM 116 CB GLU A 8 -3.338 -6.394 -4.633 1.00 71.25 C ATOM 117 CG GLU A 8 -4.020 -6.824 -3.345 1.00 15.12 C ATOM 118 CD GLU A 8 -5.522 -6.969 -3.501 1.00 1.01 C ATOM 119 OE1 GLU A 8 -5.969 -8.042 -3.956 1.00 75.25 O ATOM 120 OE2 GLU A 8 -6.249 -6.011 -3.167 1.00 14.41 O1- ATOM 0 H GLU A 8 -1.001 -7.172 -4.770 1.00 35.43 H new ATOM 0 HA GLU A 8 -3.399 -8.476 -5.165 1.00 71.25 H new ATOM 0 HB2 GLU A 8 -2.458 -5.800 -4.388 1.00 71.25 H new ATOM 0 HB3 GLU A 8 -4.013 -5.747 -5.193 1.00 71.25 H new ATOM 0 HG2 GLU A 8 -3.599 -7.774 -3.015 1.00 15.12 H new ATOM 0 HG3 GLU A 8 -3.808 -6.093 -2.564 1.00 15.12 H new ATOM 127 N ARG A 9 -2.560 -6.555 -7.699 1.00 14.15 N ATOM 128 CA ARG A 9 -2.872 -6.236 -9.087 1.00 33.34 C ATOM 129 C ARG A 9 -2.582 -7.425 -9.997 1.00 22.34 C ATOM 130 O ARG A 9 -3.262 -7.631 -11.002 1.00 52.23 O ATOM 131 CB ARG A 9 -2.068 -5.019 -9.547 1.00 41.22 C ATOM 132 CG ARG A 9 -2.931 -3.869 -10.041 1.00 63.41 C ATOM 133 CD ARG A 9 -2.775 -2.638 -9.161 1.00 44.44 C ATOM 134 NE ARG A 9 -4.031 -1.908 -9.015 1.00 1.20 N ATOM 135 CZ ARG A 9 -4.192 -0.882 -8.187 1.00 43.43 C ATOM 136 NH1 ARG A 9 -3.182 -0.467 -7.436 1.00 23.04 N1+ ATOM 137 NH2 ARG A 9 -5.366 -0.269 -8.109 1.00 51.24 N ATOM 0 H ARG A 9 -1.688 -6.150 -7.359 1.00 14.15 H new ATOM 0 HA ARG A 9 -3.935 -6.004 -9.149 1.00 33.34 H new ATOM 0 HB2 ARG A 9 -1.450 -4.669 -8.720 1.00 41.22 H new ATOM 0 HB3 ARG A 9 -1.391 -5.322 -10.345 1.00 41.22 H new ATOM 0 HG2 ARG A 9 -2.657 -3.622 -11.067 1.00 63.41 H new ATOM 0 HG3 ARG A 9 -3.976 -4.177 -10.056 1.00 63.41 H new ATOM 0 HD2 ARG A 9 -2.414 -2.939 -8.177 1.00 44.44 H new ATOM 0 HD3 ARG A 9 -2.020 -1.979 -9.590 1.00 44.44 H new ATOM 0 HE ARG A 9 -4.828 -2.202 -9.580 1.00 1.20 H new ATOM 0 HH11 ARG A 9 -2.278 -0.936 -7.493 1.00 23.04 H new ATOM 0 HH12 ARG A 9 -3.309 0.321 -6.801 1.00 23.04 H new ATOM 0 HH21 ARG A 9 -6.146 -0.586 -8.685 1.00 51.24 H new ATOM 0 HH22 ARG A 9 -5.489 0.519 -7.473 1.00 51.24 H new ATOM 151 N ILE A 10 -1.567 -8.204 -9.637 1.00 40.41 N ATOM 152 CA ILE A 10 -1.187 -9.372 -10.421 1.00 14.34 C ATOM 153 C ILE A 10 -2.263 -10.450 -10.359 1.00 62.03 C ATOM 154 O ILE A 10 -2.803 -10.865 -11.385 1.00 74.00 O ATOM 155 CB ILE A 10 0.149 -9.967 -9.935 1.00 5.51 C ATOM 156 CG1 ILE A 10 1.251 -8.907 -9.981 1.00 24.51 C ATOM 157 CG2 ILE A 10 0.530 -11.174 -10.779 1.00 55.12 C ATOM 158 CD1 ILE A 10 2.478 -9.277 -9.178 1.00 13.02 C ATOM 0 H ILE A 10 -0.994 -8.047 -8.808 1.00 40.41 H new ATOM 0 HA ILE A 10 -1.072 -9.036 -11.451 1.00 14.34 H new ATOM 0 HB ILE A 10 0.030 -10.295 -8.902 1.00 5.51 H new ATOM 0 HG12 ILE A 10 1.542 -8.741 -11.018 1.00 24.51 H new ATOM 0 HG13 ILE A 10 0.853 -7.964 -9.607 1.00 24.51 H new ATOM 0 HG21 ILE A 10 1.476 -11.583 -10.423 1.00 55.12 H new ATOM 0 HG22 ILE A 10 -0.247 -11.934 -10.699 1.00 55.12 H new ATOM 0 HG23 ILE A 10 0.635 -10.871 -11.821 1.00 55.12 H new ATOM 0 HD11 ILE A 10 3.218 -8.480 -9.256 1.00 13.02 H new ATOM 0 HD12 ILE A 10 2.201 -9.414 -8.133 1.00 13.02 H new ATOM 0 HD13 ILE A 10 2.901 -10.204 -9.566 1.00 13.02 H new ATOM 170 N LYS A 11 -2.573 -10.901 -9.147 1.00 61.13 N ATOM 171 CA LYS A 11 -3.588 -11.928 -8.949 1.00 50.23 C ATOM 172 C LYS A 11 -4.890 -11.548 -9.644 1.00 62.52 C ATOM 173 O LYS A 11 -5.575 -12.401 -10.209 1.00 43.22 O ATOM 174 CB LYS A 11 -3.839 -12.143 -7.455 1.00 4.34 C ATOM 175 CG LYS A 11 -3.913 -10.852 -6.658 1.00 75.22 C ATOM 176 CD LYS A 11 -5.086 -10.860 -5.692 1.00 21.30 C ATOM 177 CE LYS A 11 -6.315 -10.203 -6.302 1.00 45.52 C ATOM 178 NZ LYS A 11 -7.547 -10.497 -5.520 1.00 13.21 N1+ ATOM 0 H LYS A 11 -2.135 -10.570 -8.287 1.00 61.13 H new ATOM 0 HA LYS A 11 -3.221 -12.856 -9.388 1.00 50.23 H new ATOM 0 HB2 LYS A 11 -4.772 -12.693 -7.327 1.00 4.34 H new ATOM 0 HB3 LYS A 11 -3.043 -12.766 -7.048 1.00 4.34 H new ATOM 0 HG2 LYS A 11 -2.985 -10.712 -6.104 1.00 75.22 H new ATOM 0 HG3 LYS A 11 -4.008 -10.007 -7.340 1.00 75.22 H new ATOM 0 HD2 LYS A 11 -5.322 -11.887 -5.413 1.00 21.30 H new ATOM 0 HD3 LYS A 11 -4.809 -10.337 -4.777 1.00 21.30 H new ATOM 0 HE2 LYS A 11 -6.164 -9.125 -6.350 1.00 45.52 H new ATOM 0 HE3 LYS A 11 -6.443 -10.553 -7.326 1.00 45.52 H new ATOM 0 HZ1 LYS A 11 -8.362 -10.032 -5.968 1.00 13.21 H new ATOM 0 HZ2 LYS A 11 -7.706 -11.525 -5.495 1.00 13.21 H new ATOM 0 HZ3 LYS A 11 -7.435 -10.141 -4.549 1.00 13.21 H new ATOM 192 N ALA A 12 -5.226 -10.263 -9.600 1.00 55.14 N ATOM 193 CA ALA A 12 -6.446 -9.770 -10.230 1.00 34.34 C ATOM 194 C ALA A 12 -6.364 -9.883 -11.748 1.00 55.24 C ATOM 195 O ALA A 12 -7.369 -10.124 -12.417 1.00 10.40 O ATOM 196 CB ALA A 12 -6.705 -8.329 -9.819 1.00 45.33 C ATOM 0 H ALA A 12 -4.671 -9.544 -9.135 1.00 55.14 H new ATOM 0 HA ALA A 12 -7.277 -10.388 -9.891 1.00 34.34 H new ATOM 0 HB1 ALA A 12 -7.618 -7.973 -10.296 1.00 45.33 H new ATOM 0 HB2 ALA A 12 -6.816 -8.274 -8.736 1.00 45.33 H new ATOM 0 HB3 ALA A 12 -5.867 -7.706 -10.130 1.00 45.33 H new ATOM 202 N ARG A 13 -5.161 -9.707 -12.286 1.00 1.42 N ATOM 203 CA ARG A 13 -4.950 -9.787 -13.727 1.00 42.34 C ATOM 204 C ARG A 13 -4.874 -11.241 -14.184 1.00 75.41 C ATOM 205 O ARG A 13 -5.412 -11.603 -15.231 1.00 71.34 O ATOM 206 CB ARG A 13 -3.667 -9.051 -14.117 1.00 55.21 C ATOM 207 CG ARG A 13 -3.438 -8.980 -15.618 1.00 12.20 C ATOM 208 CD ARG A 13 -4.333 -7.937 -16.268 1.00 25.52 C ATOM 209 NE ARG A 13 -3.875 -7.583 -17.610 1.00 14.11 N ATOM 210 CZ ARG A 13 -4.553 -6.790 -18.433 1.00 35.11 C ATOM 211 NH1 ARG A 13 -5.712 -6.270 -18.053 1.00 42.00 N1+ ATOM 212 NH2 ARG A 13 -4.071 -6.514 -19.638 1.00 54.31 N ATOM 0 H ARG A 13 -4.319 -9.508 -11.746 1.00 1.42 H new ATOM 0 HA ARG A 13 -5.798 -9.312 -14.221 1.00 42.34 H new ATOM 0 HB2 ARG A 13 -3.703 -8.038 -13.715 1.00 55.21 H new ATOM 0 HB3 ARG A 13 -2.817 -9.549 -13.651 1.00 55.21 H new ATOM 0 HG2 ARG A 13 -2.394 -8.740 -15.817 1.00 12.20 H new ATOM 0 HG3 ARG A 13 -3.631 -9.956 -16.063 1.00 12.20 H new ATOM 0 HD2 ARG A 13 -5.353 -8.317 -16.322 1.00 25.52 H new ATOM 0 HD3 ARG A 13 -4.358 -7.042 -15.646 1.00 25.52 H new ATOM 0 HE ARG A 13 -2.986 -7.966 -17.933 1.00 14.11 H new ATOM 0 HH11 ARG A 13 -6.085 -6.478 -17.127 1.00 42.00 H new ATOM 0 HH12 ARG A 13 -6.230 -5.662 -18.687 1.00 42.00 H new ATOM 0 HH21 ARG A 13 -3.179 -6.911 -19.934 1.00 54.31 H new ATOM 0 HH22 ARG A 13 -4.592 -5.905 -20.269 1.00 54.31 H new ATOM 226 N VAL A 14 -4.200 -12.071 -13.393 1.00 22.42 N ATOM 227 CA VAL A 14 -4.054 -13.485 -13.716 1.00 65.13 C ATOM 228 C VAL A 14 -5.402 -14.117 -14.041 1.00 11.41 C ATOM 229 O VAL A 14 -5.556 -14.789 -15.060 1.00 11.41 O ATOM 230 CB VAL A 14 -3.401 -14.261 -12.557 1.00 21.10 C ATOM 231 CG1 VAL A 14 -3.115 -15.697 -12.970 1.00 11.02 C ATOM 232 CG2 VAL A 14 -2.127 -13.564 -12.101 1.00 61.14 C ATOM 0 H VAL A 14 -3.747 -11.788 -12.524 1.00 22.42 H new ATOM 0 HA VAL A 14 -3.408 -13.544 -14.592 1.00 65.13 H new ATOM 0 HB VAL A 14 -4.097 -14.282 -11.718 1.00 21.10 H new ATOM 0 HG11 VAL A 14 -2.654 -16.230 -12.138 1.00 11.02 H new ATOM 0 HG12 VAL A 14 -4.048 -16.190 -13.244 1.00 11.02 H new ATOM 0 HG13 VAL A 14 -2.438 -15.702 -13.824 1.00 11.02 H new ATOM 0 HG21 VAL A 14 -1.678 -14.126 -11.282 1.00 61.14 H new ATOM 0 HG22 VAL A 14 -1.424 -13.511 -12.932 1.00 61.14 H new ATOM 0 HG23 VAL A 14 -2.365 -12.556 -11.762 1.00 61.14 H new ATOM 242 N GLY A 15 -6.379 -13.897 -13.166 1.00 21.44 N ATOM 243 CA GLY A 15 -7.703 -14.453 -13.377 1.00 52.30 C ATOM 244 C GLY A 15 -8.577 -13.556 -14.231 1.00 73.25 C ATOM 245 O GLY A 15 -9.788 -13.762 -14.321 1.00 42.21 O ATOM 0 H GLY A 15 -6.277 -13.344 -12.315 1.00 21.44 H new ATOM 0 HA2 GLY A 15 -7.613 -15.429 -13.854 1.00 52.30 H new ATOM 0 HA3 GLY A 15 -8.185 -14.613 -12.412 1.00 52.30 H new ATOM 249 N ALA A 16 -7.965 -12.558 -14.859 1.00 11.20 N ATOM 250 CA ALA A 16 -8.696 -11.627 -15.711 1.00 51.25 C ATOM 251 C ALA A 16 -8.124 -11.612 -17.124 1.00 3.23 C ATOM 252 O ALA A 16 -8.566 -10.840 -17.975 1.00 4.14 O ATOM 253 CB ALA A 16 -8.665 -10.230 -15.112 1.00 14.21 C ATOM 0 H ALA A 16 -6.964 -12.373 -14.794 1.00 11.20 H new ATOM 0 HA ALA A 16 -9.731 -11.962 -15.770 1.00 51.25 H new ATOM 0 HB1 ALA A 16 -9.214 -9.545 -15.758 1.00 14.21 H new ATOM 0 HB2 ALA A 16 -9.127 -10.247 -14.125 1.00 14.21 H new ATOM 0 HB3 ALA A 16 -7.632 -9.895 -15.023 1.00 14.21 H new ATOM 259 N VAL A 17 -7.139 -12.470 -17.368 1.00 61.40 N ATOM 260 CA VAL A 17 -6.507 -12.555 -18.680 1.00 25.41 C ATOM 261 C VAL A 17 -7.548 -12.706 -19.783 1.00 62.03 C ATOM 262 O VAL A 17 -8.532 -13.430 -19.627 1.00 65.32 O ATOM 263 CB VAL A 17 -5.522 -13.738 -18.752 1.00 5.11 C ATOM 264 CG1 VAL A 17 -5.139 -14.025 -20.196 1.00 42.13 C ATOM 265 CG2 VAL A 17 -4.288 -13.455 -17.911 1.00 53.34 C ATOM 0 H VAL A 17 -6.761 -13.116 -16.675 1.00 61.40 H new ATOM 0 HA VAL A 17 -5.958 -11.625 -18.828 1.00 25.41 H new ATOM 0 HB VAL A 17 -6.013 -14.623 -18.348 1.00 5.11 H new ATOM 0 HG11 VAL A 17 -4.443 -14.863 -20.228 1.00 42.13 H new ATOM 0 HG12 VAL A 17 -6.033 -14.274 -20.767 1.00 42.13 H new ATOM 0 HG13 VAL A 17 -4.666 -13.144 -20.629 1.00 42.13 H new ATOM 0 HG21 VAL A 17 -3.603 -14.301 -17.973 1.00 53.34 H new ATOM 0 HG22 VAL A 17 -3.792 -12.558 -18.283 1.00 53.34 H new ATOM 0 HG23 VAL A 17 -4.582 -13.302 -16.873 1.00 53.34 H new ATOM 275 N ASP A 18 -7.325 -12.019 -20.897 1.00 53.03 N ATOM 276 CA ASP A 18 -8.244 -12.077 -22.029 1.00 53.12 C ATOM 277 C ASP A 18 -7.684 -12.964 -23.137 1.00 33.02 C ATOM 278 O ASP A 18 -6.478 -13.011 -23.379 1.00 11.13 O ATOM 279 CB ASP A 18 -8.511 -10.672 -22.569 1.00 41.05 C ATOM 280 CG ASP A 18 -9.552 -9.927 -21.757 1.00 3.44 C ATOM 281 OD1 ASP A 18 -9.390 -8.704 -21.561 1.00 41.35 O ATOM 282 OD2 ASP A 18 -10.530 -10.568 -21.318 1.00 43.50 O1- ATOM 0 H ASP A 18 -6.516 -11.415 -21.041 1.00 53.03 H new ATOM 0 HA ASP A 18 -9.183 -12.508 -21.682 1.00 53.12 H new ATOM 0 HB2 ASP A 18 -7.581 -10.104 -22.570 1.00 41.05 H new ATOM 0 HB3 ASP A 18 -8.844 -10.741 -23.605 1.00 41.05 H new ATOM 287 N PRO A 19 -8.581 -13.686 -23.826 1.00 61.33 N ATOM 288 CA PRO A 19 -8.200 -14.585 -24.919 1.00 24.45 C ATOM 289 C PRO A 19 -7.717 -13.827 -26.151 1.00 52.45 C ATOM 290 O PRO A 19 -7.197 -14.423 -27.094 1.00 60.01 O ATOM 291 CB PRO A 19 -9.498 -15.337 -25.228 1.00 44.51 C ATOM 292 CG PRO A 19 -10.583 -14.419 -24.779 1.00 61.04 C ATOM 293 CD PRO A 19 -10.034 -13.680 -23.591 1.00 65.12 C ATOM 0 HA PRO A 19 -7.370 -15.235 -24.642 1.00 24.45 H new ATOM 0 HB2 PRO A 19 -9.583 -15.560 -26.292 1.00 44.51 H new ATOM 0 HB3 PRO A 19 -9.540 -16.289 -24.698 1.00 44.51 H new ATOM 0 HG2 PRO A 19 -10.863 -13.727 -25.574 1.00 61.04 H new ATOM 0 HG3 PRO A 19 -11.480 -14.977 -24.511 1.00 61.04 H new ATOM 0 HD2 PRO A 19 -10.427 -12.665 -23.533 1.00 65.12 H new ATOM 0 HD3 PRO A 19 -10.292 -14.176 -22.655 1.00 65.12 H new ATOM 301 N ASN A 20 -7.893 -12.510 -26.137 1.00 14.21 N ATOM 302 CA ASN A 20 -7.474 -11.671 -27.254 1.00 51.20 C ATOM 303 C ASN A 20 -5.967 -11.435 -27.222 1.00 32.21 C ATOM 304 O ASN A 20 -5.322 -11.329 -28.265 1.00 25.02 O ATOM 305 CB ASN A 20 -8.212 -10.332 -27.217 1.00 64.43 C ATOM 306 CG ASN A 20 -9.281 -10.230 -28.288 1.00 2.35 C ATOM 307 OD1 ASN A 20 -9.196 -9.396 -29.189 1.00 4.13 O ATOM 308 ND2 ASN A 20 -10.295 -11.083 -28.196 1.00 52.44 N ATOM 0 H ASN A 20 -8.323 -12.001 -25.365 1.00 14.21 H new ATOM 0 HA ASN A 20 -7.723 -12.190 -28.180 1.00 51.20 H new ATOM 0 HB2 ASN A 20 -8.670 -10.200 -26.237 1.00 64.43 H new ATOM 0 HB3 ASN A 20 -7.495 -9.521 -27.345 1.00 64.43 H new ATOM 0 HD21 ASN A 20 -11.043 -11.063 -28.889 1.00 52.44 H new ATOM 0 HD22 ASN A 20 -10.326 -11.758 -27.432 1.00 52.44 H new ATOM 315 N GLY A 21 -5.411 -11.355 -26.017 1.00 50.52 N ATOM 316 CA GLY A 21 -3.984 -11.132 -25.872 1.00 62.51 C ATOM 317 C GLY A 21 -3.184 -12.415 -25.983 1.00 11.23 C ATOM 318 O GLY A 21 -2.786 -12.831 -27.072 1.00 25.24 O ATOM 0 H GLY A 21 -5.923 -11.441 -25.139 1.00 50.52 H new ATOM 0 HA2 GLY A 21 -3.649 -10.431 -26.637 1.00 62.51 H new ATOM 0 HA3 GLY A 21 -3.788 -10.667 -24.906 1.00 62.51 H new ATOM 322 N PRO A 22 -2.934 -13.062 -24.836 1.00 62.45 N ATOM 323 CA PRO A 22 -2.172 -14.313 -24.783 1.00 23.24 C ATOM 324 C PRO A 22 -2.936 -15.484 -25.392 1.00 51.52 C ATOM 325 O PRO A 22 -3.960 -15.295 -26.049 1.00 44.23 O ATOM 326 CB PRO A 22 -1.960 -14.536 -23.283 1.00 44.15 C ATOM 327 CG PRO A 22 -3.086 -13.814 -22.630 1.00 54.42 C ATOM 328 CD PRO A 22 -3.378 -12.624 -23.502 1.00 52.42 C ATOM 0 HA PRO A 22 -1.246 -14.250 -25.354 1.00 23.24 H new ATOM 0 HB2 PRO A 22 -1.973 -15.597 -23.035 1.00 44.15 H new ATOM 0 HB3 PRO A 22 -0.996 -14.144 -22.957 1.00 44.15 H new ATOM 0 HG2 PRO A 22 -3.962 -14.457 -22.541 1.00 54.42 H new ATOM 0 HG3 PRO A 22 -2.816 -13.501 -21.621 1.00 54.42 H new ATOM 0 HD2 PRO A 22 -4.438 -12.371 -23.494 1.00 52.42 H new ATOM 0 HD3 PRO A 22 -2.836 -11.739 -23.169 1.00 52.42 H new ATOM 336 N ARG A 23 -2.433 -16.693 -25.169 1.00 3.14 N ATOM 337 CA ARG A 23 -3.069 -17.895 -25.696 1.00 53.14 C ATOM 338 C ARG A 23 -2.845 -19.082 -24.765 1.00 53.31 C ATOM 339 O ARG A 23 -2.023 -19.022 -23.851 1.00 11.32 O ATOM 340 CB ARG A 23 -2.523 -18.216 -27.089 1.00 65.52 C ATOM 341 CG ARG A 23 -2.971 -17.236 -28.160 1.00 43.32 C ATOM 342 CD ARG A 23 -4.487 -17.182 -28.266 1.00 4.23 C ATOM 343 NE ARG A 23 -4.951 -17.460 -29.624 1.00 13.13 N ATOM 344 CZ ARG A 23 -5.078 -18.686 -30.119 1.00 63.53 C ATOM 345 NH1 ARG A 23 -4.779 -19.741 -29.374 1.00 60.23 N1+ ATOM 346 NH2 ARG A 23 -5.507 -18.858 -31.363 1.00 32.33 N ATOM 0 H ARG A 23 -1.587 -16.867 -24.627 1.00 3.14 H new ATOM 0 HA ARG A 23 -4.141 -17.708 -25.766 1.00 53.14 H new ATOM 0 HB2 ARG A 23 -1.434 -18.225 -27.050 1.00 65.52 H new ATOM 0 HB3 ARG A 23 -2.840 -19.220 -27.372 1.00 65.52 H new ATOM 0 HG2 ARG A 23 -2.586 -16.243 -27.930 1.00 43.32 H new ATOM 0 HG3 ARG A 23 -2.548 -17.527 -29.121 1.00 43.32 H new ATOM 0 HD2 ARG A 23 -4.925 -17.906 -27.578 1.00 4.23 H new ATOM 0 HD3 ARG A 23 -4.837 -16.197 -27.958 1.00 4.23 H new ATOM 0 HE ARG A 23 -5.190 -16.670 -30.224 1.00 13.13 H new ATOM 0 HH11 ARG A 23 -4.450 -19.613 -28.417 1.00 60.23 H new ATOM 0 HH12 ARG A 23 -4.878 -20.681 -29.758 1.00 60.23 H new ATOM 0 HH21 ARG A 23 -5.739 -18.049 -31.939 1.00 32.33 H new ATOM 0 HH22 ARG A 23 -5.605 -19.799 -31.743 1.00 32.33 H new ATOM 360 N LYS A 24 -3.583 -20.162 -25.002 1.00 71.13 N ATOM 361 CA LYS A 24 -3.466 -21.364 -24.186 1.00 41.04 C ATOM 362 C LYS A 24 -2.002 -21.729 -23.962 1.00 22.22 C ATOM 363 O LYS A 24 -1.304 -22.132 -24.892 1.00 21.24 O ATOM 364 CB LYS A 24 -4.198 -22.530 -24.852 1.00 44.53 C ATOM 365 CG LYS A 24 -3.539 -23.011 -26.133 1.00 62.53 C ATOM 366 CD LYS A 24 -4.567 -23.481 -27.149 1.00 63.55 C ATOM 367 CE LYS A 24 -4.372 -24.947 -27.501 1.00 34.31 C ATOM 368 NZ LYS A 24 -4.500 -25.827 -26.307 1.00 63.14 N1+ ATOM 0 H LYS A 24 -4.269 -20.229 -25.754 1.00 71.13 H new ATOM 0 HA LYS A 24 -3.924 -21.162 -23.218 1.00 41.04 H new ATOM 0 HB2 LYS A 24 -4.255 -23.361 -24.149 1.00 44.53 H new ATOM 0 HB3 LYS A 24 -5.222 -22.227 -25.072 1.00 44.53 H new ATOM 0 HG2 LYS A 24 -2.945 -22.204 -26.562 1.00 62.53 H new ATOM 0 HG3 LYS A 24 -2.852 -23.826 -25.906 1.00 62.53 H new ATOM 0 HD2 LYS A 24 -5.570 -23.332 -26.749 1.00 63.55 H new ATOM 0 HD3 LYS A 24 -4.491 -22.876 -28.052 1.00 63.55 H new ATOM 0 HE2 LYS A 24 -5.108 -25.241 -28.249 1.00 34.31 H new ATOM 0 HE3 LYS A 24 -3.388 -25.085 -27.950 1.00 34.31 H new ATOM 0 HZ1 LYS A 24 -4.766 -26.786 -26.609 1.00 63.14 H new ATOM 0 HZ2 LYS A 24 -3.591 -25.863 -25.803 1.00 63.14 H new ATOM 0 HZ3 LYS A 24 -5.232 -25.448 -25.673 1.00 63.14 H new ATOM 382 N VAL A 25 -1.544 -21.588 -22.723 1.00 32.25 N ATOM 383 CA VAL A 25 -0.164 -21.906 -22.377 1.00 72.11 C ATOM 384 C VAL A 25 -0.102 -22.979 -21.295 1.00 51.12 C ATOM 385 O VAL A 25 -1.128 -23.379 -20.743 1.00 43.45 O ATOM 386 CB VAL A 25 0.594 -20.657 -21.889 1.00 34.14 C ATOM 387 CG1 VAL A 25 0.833 -19.694 -23.042 1.00 11.11 C ATOM 388 CG2 VAL A 25 -0.169 -19.976 -20.765 1.00 3.14 C ATOM 0 H VAL A 25 -2.109 -21.255 -21.941 1.00 32.25 H new ATOM 0 HA VAL A 25 0.312 -22.280 -23.284 1.00 72.11 H new ATOM 0 HB VAL A 25 1.563 -20.970 -21.501 1.00 34.14 H new ATOM 0 HG11 VAL A 25 1.370 -18.818 -22.679 1.00 11.11 H new ATOM 0 HG12 VAL A 25 1.425 -20.188 -23.812 1.00 11.11 H new ATOM 0 HG13 VAL A 25 -0.124 -19.385 -23.462 1.00 11.11 H new ATOM 0 HG21 VAL A 25 0.381 -19.096 -20.433 1.00 3.14 H new ATOM 0 HG22 VAL A 25 -1.153 -19.675 -21.124 1.00 3.14 H new ATOM 0 HG23 VAL A 25 -0.283 -20.669 -19.931 1.00 3.14 H new ATOM 398 N LEU A 26 1.107 -23.441 -20.996 1.00 52.13 N ATOM 399 CA LEU A 26 1.305 -24.467 -19.979 1.00 53.31 C ATOM 400 C LEU A 26 2.607 -24.239 -19.221 1.00 41.52 C ATOM 401 O LEU A 26 3.656 -24.012 -19.822 1.00 23.31 O ATOM 402 CB LEU A 26 1.312 -25.855 -20.622 1.00 34.22 C ATOM 403 CG LEU A 26 0.007 -26.291 -21.291 1.00 5.53 C ATOM 404 CD1 LEU A 26 0.053 -26.007 -22.785 1.00 50.53 C ATOM 405 CD2 LEU A 26 -0.254 -27.768 -21.037 1.00 1.25 C ATOM 0 H LEU A 26 1.966 -23.121 -21.444 1.00 52.13 H new ATOM 0 HA LEU A 26 0.479 -24.405 -19.271 1.00 53.31 H new ATOM 0 HB2 LEU A 26 2.107 -25.884 -21.367 1.00 34.22 H new ATOM 0 HB3 LEU A 26 1.567 -26.587 -19.856 1.00 34.22 H new ATOM 0 HG LEU A 26 -0.811 -25.717 -20.857 1.00 5.53 H new ATOM 0 HD11 LEU A 26 -0.883 -26.323 -23.245 1.00 50.53 H new ATOM 0 HD12 LEU A 26 0.194 -24.939 -22.948 1.00 50.53 H new ATOM 0 HD13 LEU A 26 0.881 -26.555 -23.234 1.00 50.53 H new ATOM 0 HD21 LEU A 26 -1.186 -28.061 -21.520 1.00 1.25 H new ATOM 0 HD22 LEU A 26 0.567 -28.358 -21.445 1.00 1.25 H new ATOM 0 HD23 LEU A 26 -0.330 -27.945 -19.964 1.00 1.25 H new ATOM 417 N GLY A 27 2.534 -24.303 -17.895 1.00 11.13 N ATOM 418 CA GLY A 27 3.715 -24.103 -17.075 1.00 74.50 C ATOM 419 C GLY A 27 3.412 -23.347 -15.796 1.00 72.22 C ATOM 420 O GLY A 27 2.250 -23.165 -15.434 1.00 33.15 O ATOM 0 H GLY A 27 1.677 -24.490 -17.374 1.00 11.13 H new ATOM 0 HA2 GLY A 27 4.149 -25.071 -16.827 1.00 74.50 H new ATOM 0 HA3 GLY A 27 4.463 -23.556 -17.648 1.00 74.50 H new ATOM 424 N VAL A 28 4.462 -22.908 -15.109 1.00 0.31 N ATOM 425 CA VAL A 28 4.302 -22.168 -13.862 1.00 11.43 C ATOM 426 C VAL A 28 5.362 -21.080 -13.731 1.00 12.21 C ATOM 427 O VAL A 28 6.446 -21.180 -14.306 1.00 72.43 O ATOM 428 CB VAL A 28 4.387 -23.102 -12.641 1.00 51.42 C ATOM 429 CG1 VAL A 28 3.653 -22.496 -11.454 1.00 54.12 C ATOM 430 CG2 VAL A 28 3.827 -24.475 -12.980 1.00 65.50 C ATOM 0 H VAL A 28 5.431 -23.051 -15.394 1.00 0.31 H new ATOM 0 HA VAL A 28 3.314 -21.708 -13.890 1.00 11.43 H new ATOM 0 HB VAL A 28 5.436 -23.220 -12.368 1.00 51.42 H new ATOM 0 HG11 VAL A 28 3.723 -23.170 -10.600 1.00 54.12 H new ATOM 0 HG12 VAL A 28 4.104 -21.537 -11.198 1.00 54.12 H new ATOM 0 HG13 VAL A 28 2.605 -22.346 -11.712 1.00 54.12 H new ATOM 0 HG21 VAL A 28 3.895 -25.122 -12.105 1.00 65.50 H new ATOM 0 HG22 VAL A 28 2.783 -24.378 -13.279 1.00 65.50 H new ATOM 0 HG23 VAL A 28 4.401 -24.910 -13.799 1.00 65.50 H new ATOM 440 N PHE A 29 5.043 -20.040 -12.967 1.00 21.24 N ATOM 441 CA PHE A 29 5.968 -18.932 -12.758 1.00 24.31 C ATOM 442 C PHE A 29 6.274 -18.749 -11.275 1.00 74.32 C ATOM 443 O PHE A 29 5.395 -18.903 -10.427 1.00 14.41 O ATOM 444 CB PHE A 29 5.385 -17.639 -13.334 1.00 62.43 C ATOM 445 CG PHE A 29 5.214 -17.670 -14.825 1.00 74.23 C ATOM 446 CD1 PHE A 29 4.031 -17.246 -15.409 1.00 73.12 C ATOM 447 CD2 PHE A 29 6.234 -18.125 -15.644 1.00 0.33 C ATOM 448 CE1 PHE A 29 3.869 -17.273 -16.781 1.00 43.11 C ATOM 449 CE2 PHE A 29 6.079 -18.154 -17.017 1.00 64.12 C ATOM 450 CZ PHE A 29 4.894 -17.728 -17.586 1.00 52.54 C ATOM 0 H PHE A 29 4.151 -19.942 -12.482 1.00 21.24 H new ATOM 0 HA PHE A 29 6.898 -19.166 -13.275 1.00 24.31 H new ATOM 0 HB2 PHE A 29 4.418 -17.448 -12.869 1.00 62.43 H new ATOM 0 HB3 PHE A 29 6.036 -16.806 -13.068 1.00 62.43 H new ATOM 0 HD1 PHE A 29 3.225 -16.890 -14.784 1.00 73.12 H new ATOM 0 HD2 PHE A 29 7.162 -18.461 -15.204 1.00 0.33 H new ATOM 0 HE1 PHE A 29 2.942 -16.939 -17.223 1.00 43.11 H new ATOM 0 HE2 PHE A 29 6.883 -18.509 -17.644 1.00 64.12 H new ATOM 0 HZ PHE A 29 4.770 -17.751 -18.659 1.00 52.54 H new ATOM 460 N GLN A 30 7.525 -18.422 -10.970 1.00 73.10 N ATOM 461 CA GLN A 30 7.948 -18.220 -9.589 1.00 2.03 C ATOM 462 C GLN A 30 8.466 -16.802 -9.381 1.00 32.14 C ATOM 463 O GLN A 30 9.641 -16.517 -9.620 1.00 10.04 O ATOM 464 CB GLN A 30 9.030 -19.233 -9.212 1.00 11.10 C ATOM 465 CG GLN A 30 9.411 -19.196 -7.741 1.00 21.52 C ATOM 466 CD GLN A 30 8.215 -19.360 -6.823 1.00 3.11 C ATOM 467 OE1 GLN A 30 7.317 -20.159 -7.092 1.00 64.02 O ATOM 468 NE2 GLN A 30 8.196 -18.603 -5.734 1.00 1.20 N ATOM 0 H GLN A 30 8.264 -18.291 -11.661 1.00 73.10 H new ATOM 0 HA GLN A 30 7.082 -18.368 -8.944 1.00 2.03 H new ATOM 0 HB2 GLN A 30 8.682 -20.235 -9.464 1.00 11.10 H new ATOM 0 HB3 GLN A 30 9.919 -19.044 -9.814 1.00 11.10 H new ATOM 0 HG2 GLN A 30 10.132 -19.987 -7.537 1.00 21.52 H new ATOM 0 HG3 GLN A 30 9.905 -18.250 -7.522 1.00 21.52 H new ATOM 0 HE21 GLN A 30 8.961 -17.954 -5.550 1.00 1.20 H new ATOM 0 HE22 GLN A 30 7.416 -18.670 -5.080 1.00 1.20 H new ATOM 477 N LEU A 31 7.585 -15.914 -8.934 1.00 65.02 N ATOM 478 CA LEU A 31 7.954 -14.523 -8.693 1.00 54.50 C ATOM 479 C LEU A 31 8.620 -14.365 -7.330 1.00 53.24 C ATOM 480 O LEU A 31 8.095 -14.820 -6.314 1.00 13.04 O ATOM 481 CB LEU A 31 6.718 -13.626 -8.777 1.00 52.25 C ATOM 482 CG LEU A 31 6.813 -12.283 -8.050 1.00 62.25 C ATOM 483 CD1 LEU A 31 7.934 -11.439 -8.635 1.00 62.41 C ATOM 484 CD2 LEU A 31 5.488 -11.541 -8.126 1.00 64.43 C ATOM 0 H LEU A 31 6.610 -16.132 -8.731 1.00 65.02 H new ATOM 0 HA LEU A 31 8.666 -14.223 -9.461 1.00 54.50 H new ATOM 0 HB2 LEU A 31 6.504 -13.433 -9.828 1.00 52.25 H new ATOM 0 HB3 LEU A 31 5.867 -14.175 -8.374 1.00 52.25 H new ATOM 0 HG LEU A 31 7.039 -12.474 -7.001 1.00 62.25 H new ATOM 0 HD11 LEU A 31 7.987 -10.487 -8.106 1.00 62.41 H new ATOM 0 HD12 LEU A 31 8.881 -11.967 -8.527 1.00 62.41 H new ATOM 0 HD13 LEU A 31 7.738 -11.256 -9.692 1.00 62.41 H new ATOM 0 HD21 LEU A 31 5.574 -10.588 -7.604 1.00 64.43 H new ATOM 0 HD22 LEU A 31 5.231 -11.361 -9.170 1.00 64.43 H new ATOM 0 HD23 LEU A 31 4.707 -12.142 -7.659 1.00 64.43 H new ATOM 496 N ASN A 32 9.780 -13.716 -7.315 1.00 55.44 N ATOM 497 CA ASN A 32 10.518 -13.496 -6.077 1.00 63.23 C ATOM 498 C ASN A 32 10.803 -12.012 -5.871 1.00 53.21 C ATOM 499 O ASN A 32 11.238 -11.319 -6.791 1.00 30.12 O ATOM 500 CB ASN A 32 11.830 -14.281 -6.095 1.00 15.22 C ATOM 501 CG ASN A 32 11.651 -15.697 -6.610 1.00 74.20 C ATOM 502 OD1 ASN A 32 10.563 -16.266 -6.525 1.00 54.54 O ATOM 503 ND2 ASN A 32 12.721 -16.271 -7.147 1.00 41.33 N ATOM 0 H ASN A 32 10.229 -13.333 -8.147 1.00 55.44 H new ATOM 0 HA ASN A 32 9.903 -13.848 -5.249 1.00 63.23 H new ATOM 0 HB2 ASN A 32 12.554 -13.759 -6.721 1.00 15.22 H new ATOM 0 HB3 ASN A 32 12.244 -14.314 -5.087 1.00 15.22 H new ATOM 0 HD21 ASN A 32 12.661 -17.222 -7.510 1.00 41.33 H new ATOM 0 HD22 ASN A 32 13.603 -15.761 -7.196 1.00 41.33 H new ATOM 510 N ILE A 33 10.555 -11.531 -4.656 1.00 31.21 N ATOM 511 CA ILE A 33 10.788 -10.130 -4.329 1.00 31.14 C ATOM 512 C ILE A 33 11.669 -9.993 -3.092 1.00 52.44 C ATOM 513 O ILE A 33 11.429 -10.638 -2.071 1.00 11.10 O ATOM 514 CB ILE A 33 9.464 -9.381 -4.087 1.00 13.11 C ATOM 515 CG1 ILE A 33 8.523 -9.567 -5.279 1.00 12.13 C ATOM 516 CG2 ILE A 33 9.728 -7.904 -3.838 1.00 60.34 C ATOM 517 CD1 ILE A 33 7.587 -10.747 -5.133 1.00 72.22 C ATOM 0 H ILE A 33 10.193 -12.091 -3.884 1.00 31.21 H new ATOM 0 HA ILE A 33 11.296 -9.687 -5.185 1.00 31.14 H new ATOM 0 HB ILE A 33 8.985 -9.798 -3.201 1.00 13.11 H new ATOM 0 HG12 ILE A 33 7.933 -8.660 -5.411 1.00 12.13 H new ATOM 0 HG13 ILE A 33 9.117 -9.695 -6.184 1.00 12.13 H new ATOM 0 HG21 ILE A 33 8.782 -7.389 -3.669 1.00 60.34 H new ATOM 0 HG22 ILE A 33 10.365 -7.791 -2.961 1.00 60.34 H new ATOM 0 HG23 ILE A 33 10.226 -7.472 -4.706 1.00 60.34 H new ATOM 0 HD11 ILE A 33 6.950 -10.817 -6.015 1.00 72.22 H new ATOM 0 HD12 ILE A 33 8.169 -11.663 -5.032 1.00 72.22 H new ATOM 0 HD13 ILE A 33 6.967 -10.612 -4.247 1.00 72.22 H new ATOM 529 N LYS A 34 12.690 -9.148 -3.190 1.00 22.24 N ATOM 530 CA LYS A 34 13.606 -8.923 -2.078 1.00 23.21 C ATOM 531 C LYS A 34 12.900 -8.216 -0.925 1.00 44.34 C ATOM 532 O LYS A 34 11.935 -7.480 -1.131 1.00 15.11 O ATOM 533 CB LYS A 34 14.806 -8.094 -2.540 1.00 53.34 C ATOM 534 CG LYS A 34 15.921 -8.925 -3.151 1.00 41.43 C ATOM 535 CD LYS A 34 16.268 -8.451 -4.552 1.00 33.21 C ATOM 536 CE LYS A 34 17.733 -8.697 -4.878 1.00 40.23 C ATOM 537 NZ LYS A 34 18.154 -7.979 -6.113 1.00 30.42 N1+ ATOM 0 H LYS A 34 12.904 -8.608 -4.028 1.00 22.24 H new ATOM 0 HA LYS A 34 13.956 -9.893 -1.726 1.00 23.21 H new ATOM 0 HB2 LYS A 34 14.469 -7.359 -3.271 1.00 53.34 H new ATOM 0 HB3 LYS A 34 15.202 -7.539 -1.690 1.00 53.34 H new ATOM 0 HG2 LYS A 34 16.806 -8.869 -2.518 1.00 41.43 H new ATOM 0 HG3 LYS A 34 15.619 -9.972 -3.185 1.00 41.43 H new ATOM 0 HD2 LYS A 34 15.641 -8.969 -5.278 1.00 33.21 H new ATOM 0 HD3 LYS A 34 16.048 -7.387 -4.642 1.00 33.21 H new ATOM 0 HE2 LYS A 34 18.351 -8.373 -4.041 1.00 40.23 H new ATOM 0 HE3 LYS A 34 17.903 -9.766 -5.004 1.00 40.23 H new ATOM 0 HZ1 LYS A 34 19.158 -8.172 -6.301 1.00 30.42 H new ATOM 0 HZ2 LYS A 34 17.582 -8.307 -6.917 1.00 30.42 H new ATOM 0 HZ3 LYS A 34 18.016 -6.956 -5.984 1.00 30.42 H new ATOM 551 N THR A 35 13.389 -8.443 0.290 1.00 41.14 N ATOM 552 CA THR A 35 12.806 -7.828 1.476 1.00 62.04 C ATOM 553 C THR A 35 13.876 -7.507 2.513 1.00 21.21 C ATOM 554 O THR A 35 15.052 -7.816 2.321 1.00 42.41 O ATOM 555 CB THR A 35 11.743 -8.740 2.118 1.00 73.14 C ATOM 556 OG1 THR A 35 12.380 -9.757 2.901 1.00 74.33 O ATOM 557 CG2 THR A 35 10.870 -9.386 1.052 1.00 21.11 C ATOM 0 H THR A 35 14.188 -9.049 0.479 1.00 41.14 H new ATOM 0 HA THR A 35 12.331 -6.903 1.150 1.00 62.04 H new ATOM 0 HB THR A 35 11.111 -8.128 2.762 1.00 73.14 H new ATOM 0 HG1 THR A 35 11.698 -10.332 3.307 1.00 74.33 H new ATOM 0 HG21 THR A 35 10.127 -10.025 1.529 1.00 21.11 H new ATOM 0 HG22 THR A 35 10.365 -8.610 0.476 1.00 21.11 H new ATOM 0 HG23 THR A 35 11.492 -9.986 0.387 1.00 21.11 H new ATOM 565 N ALA A 36 13.462 -6.885 3.611 1.00 32.44 N ATOM 566 CA ALA A 36 14.386 -6.524 4.680 1.00 70.24 C ATOM 567 C ALA A 36 14.721 -7.733 5.547 1.00 54.21 C ATOM 568 O ALA A 36 15.697 -7.720 6.296 1.00 10.51 O ATOM 569 CB ALA A 36 13.799 -5.407 5.530 1.00 11.33 C ATOM 0 H ALA A 36 12.492 -6.620 3.784 1.00 32.44 H new ATOM 0 HA ALA A 36 15.311 -6.170 4.224 1.00 70.24 H new ATOM 0 HB1 ALA A 36 14.499 -5.148 6.324 1.00 11.33 H new ATOM 0 HB2 ALA A 36 13.618 -4.532 4.906 1.00 11.33 H new ATOM 0 HB3 ALA A 36 12.859 -5.740 5.970 1.00 11.33 H new ATOM 575 N SER A 37 13.902 -8.775 5.443 1.00 12.43 N ATOM 576 CA SER A 37 14.108 -9.990 6.222 1.00 24.12 C ATOM 577 C SER A 37 14.398 -11.177 5.308 1.00 71.45 C ATOM 578 O SER A 37 14.313 -12.332 5.727 1.00 35.33 O ATOM 579 CB SER A 37 12.880 -10.283 7.085 1.00 74.34 C ATOM 580 OG SER A 37 13.228 -10.360 8.457 1.00 31.32 O ATOM 0 H SER A 37 13.090 -8.802 4.827 1.00 12.43 H new ATOM 0 HA SER A 37 14.969 -9.835 6.872 1.00 24.12 H new ATOM 0 HB2 SER A 37 12.134 -9.502 6.939 1.00 74.34 H new ATOM 0 HB3 SER A 37 12.425 -11.222 6.769 1.00 74.34 H new ATOM 0 HG SER A 37 12.426 -10.546 8.988 1.00 31.32 H new ATOM 586 N GLY A 38 14.741 -10.886 4.058 1.00 20.32 N ATOM 587 CA GLY A 38 15.038 -11.939 3.104 1.00 11.02 C ATOM 588 C GLY A 38 14.369 -11.712 1.763 1.00 44.13 C ATOM 589 O GLY A 38 14.507 -10.644 1.166 1.00 2.10 O ATOM 0 H GLY A 38 14.819 -9.939 3.688 1.00 20.32 H new ATOM 0 HA2 GLY A 38 16.117 -12.003 2.962 1.00 11.02 H new ATOM 0 HA3 GLY A 38 14.713 -12.896 3.511 1.00 11.02 H new ATOM 593 N VAL A 39 13.644 -12.719 1.288 1.00 25.01 N ATOM 594 CA VAL A 39 12.952 -12.625 0.008 1.00 53.13 C ATOM 595 C VAL A 39 11.606 -13.339 0.058 1.00 4.40 C ATOM 596 O VAL A 39 11.482 -14.412 0.649 1.00 12.03 O ATOM 597 CB VAL A 39 13.796 -13.223 -1.132 1.00 31.52 C ATOM 598 CG1 VAL A 39 13.745 -14.743 -1.094 1.00 45.01 C ATOM 599 CG2 VAL A 39 13.319 -12.700 -2.479 1.00 44.20 C ATOM 0 H VAL A 39 13.520 -13.609 1.770 1.00 25.01 H new ATOM 0 HA VAL A 39 12.791 -11.565 -0.188 1.00 53.13 H new ATOM 0 HB VAL A 39 14.832 -12.914 -0.994 1.00 31.52 H new ATOM 0 HG11 VAL A 39 14.347 -15.148 -1.907 1.00 45.01 H new ATOM 0 HG12 VAL A 39 14.138 -15.097 -0.141 1.00 45.01 H new ATOM 0 HG13 VAL A 39 12.713 -15.075 -1.207 1.00 45.01 H new ATOM 0 HG21 VAL A 39 13.927 -13.133 -3.273 1.00 44.20 H new ATOM 0 HG22 VAL A 39 12.276 -12.977 -2.628 1.00 44.20 H new ATOM 0 HG23 VAL A 39 13.413 -11.614 -2.502 1.00 44.20 H new ATOM 609 N GLU A 40 10.599 -12.738 -0.568 1.00 32.42 N ATOM 610 CA GLU A 40 9.261 -13.317 -0.594 1.00 60.10 C ATOM 611 C GLU A 40 9.048 -14.136 -1.864 1.00 42.53 C ATOM 612 O GLU A 40 9.276 -13.652 -2.971 1.00 20.13 O ATOM 613 CB GLU A 40 8.202 -12.216 -0.500 1.00 24.13 C ATOM 614 CG GLU A 40 8.178 -11.508 0.843 1.00 11.04 C ATOM 615 CD GLU A 40 7.006 -11.935 1.707 1.00 24.31 C ATOM 616 OE1 GLU A 40 7.165 -12.897 2.488 1.00 60.43 O ATOM 617 OE2 GLU A 40 5.931 -11.309 1.601 1.00 55.13 O1- ATOM 0 H GLU A 40 10.684 -11.851 -1.064 1.00 32.42 H new ATOM 0 HA GLU A 40 9.163 -13.979 0.266 1.00 60.10 H new ATOM 0 HB2 GLU A 40 8.383 -11.482 -1.285 1.00 24.13 H new ATOM 0 HB3 GLU A 40 7.221 -12.650 -0.690 1.00 24.13 H new ATOM 0 HG2 GLU A 40 9.108 -11.711 1.373 1.00 11.04 H new ATOM 0 HG3 GLU A 40 8.132 -10.431 0.681 1.00 11.04 H new ATOM 624 N GLN A 41 8.609 -15.379 -1.693 1.00 42.11 N ATOM 625 CA GLN A 41 8.367 -16.266 -2.824 1.00 75.52 C ATOM 626 C GLN A 41 6.883 -16.303 -3.178 1.00 53.35 C ATOM 627 O GLN A 41 6.024 -16.231 -2.300 1.00 61.42 O ATOM 628 CB GLN A 41 8.864 -17.677 -2.509 1.00 53.24 C ATOM 629 CG GLN A 41 10.266 -17.712 -1.924 1.00 24.20 C ATOM 630 CD GLN A 41 11.208 -18.595 -2.719 1.00 1.24 C ATOM 631 OE1 GLN A 41 11.223 -19.814 -2.553 1.00 52.30 O ATOM 632 NE2 GLN A 41 12.001 -17.981 -3.589 1.00 4.21 N ATOM 0 H GLN A 41 8.414 -15.794 -0.782 1.00 42.11 H new ATOM 0 HA GLN A 41 8.917 -15.879 -3.682 1.00 75.52 H new ATOM 0 HB2 GLN A 41 8.175 -18.148 -1.808 1.00 53.24 H new ATOM 0 HB3 GLN A 41 8.845 -18.272 -3.422 1.00 53.24 H new ATOM 0 HG2 GLN A 41 10.666 -16.699 -1.889 1.00 24.20 H new ATOM 0 HG3 GLN A 41 10.218 -18.071 -0.896 1.00 24.20 H new ATOM 0 HE21 GLN A 41 11.955 -16.967 -3.694 1.00 4.21 H new ATOM 0 HE22 GLN A 41 12.656 -18.523 -4.152 1.00 4.21 H new ATOM 641 N TRP A 42 6.591 -16.416 -4.469 1.00 43.02 N ATOM 642 CA TRP A 42 5.211 -16.462 -4.938 1.00 5.44 C ATOM 643 C TRP A 42 5.069 -17.422 -6.115 1.00 60.44 C ATOM 644 O TRP A 42 5.975 -17.545 -6.940 1.00 11.52 O ATOM 645 CB TRP A 42 4.742 -15.064 -5.345 1.00 34.30 C ATOM 646 CG TRP A 42 4.719 -14.090 -4.205 1.00 73.05 C ATOM 647 CD1 TRP A 42 5.730 -13.258 -3.819 1.00 55.51 C ATOM 648 CD2 TRP A 42 3.633 -13.851 -3.305 1.00 63.13 C ATOM 649 NE1 TRP A 42 5.337 -12.514 -2.731 1.00 41.21 N ATOM 650 CE2 TRP A 42 4.054 -12.859 -2.397 1.00 71.54 C ATOM 651 CE3 TRP A 42 2.343 -14.375 -3.177 1.00 23.42 C ATOM 652 CZ2 TRP A 42 3.232 -12.385 -1.378 1.00 54.54 C ATOM 653 CZ3 TRP A 42 1.530 -13.904 -2.164 1.00 35.41 C ATOM 654 CH2 TRP A 42 1.976 -12.917 -1.277 1.00 22.13 C ATOM 0 H TRP A 42 7.291 -16.477 -5.209 1.00 43.02 H new ATOM 0 HA TRP A 42 4.587 -16.823 -4.121 1.00 5.44 H new ATOM 0 HB2 TRP A 42 5.398 -14.682 -6.127 1.00 34.30 H new ATOM 0 HB3 TRP A 42 3.742 -15.134 -5.774 1.00 34.30 H new ATOM 0 HD1 TRP A 42 6.696 -13.193 -4.297 1.00 55.51 H new ATOM 0 HE1 TRP A 42 5.908 -11.818 -2.251 1.00 41.21 H new ATOM 0 HE3 TRP A 42 1.988 -15.135 -3.858 1.00 23.42 H new ATOM 0 HZ2 TRP A 42 3.574 -11.624 -0.692 1.00 54.54 H new ATOM 0 HZ3 TRP A 42 0.533 -14.304 -2.055 1.00 35.41 H new ATOM 0 HH2 TRP A 42 1.315 -12.569 -0.497 1.00 22.13 H new ATOM 665 N ILE A 43 3.927 -18.097 -6.187 1.00 22.22 N ATOM 666 CA ILE A 43 3.667 -19.044 -7.264 1.00 14.53 C ATOM 667 C ILE A 43 2.521 -18.567 -8.150 1.00 73.12 C ATOM 668 O ILE A 43 1.393 -18.400 -7.688 1.00 34.33 O ATOM 669 CB ILE A 43 3.328 -20.443 -6.714 1.00 20.41 C ATOM 670 CG1 ILE A 43 4.452 -20.943 -5.805 1.00 31.22 C ATOM 671 CG2 ILE A 43 3.091 -21.418 -7.858 1.00 31.11 C ATOM 672 CD1 ILE A 43 3.988 -21.296 -4.409 1.00 2.14 C ATOM 0 H ILE A 43 3.167 -18.006 -5.513 1.00 22.22 H new ATOM 0 HA ILE A 43 4.580 -19.107 -7.857 1.00 14.53 H new ATOM 0 HB ILE A 43 2.413 -20.375 -6.125 1.00 20.41 H new ATOM 0 HG12 ILE A 43 4.912 -21.821 -6.259 1.00 31.22 H new ATOM 0 HG13 ILE A 43 5.224 -20.176 -5.740 1.00 31.22 H new ATOM 0 HG21 ILE A 43 2.853 -22.402 -7.454 1.00 31.11 H new ATOM 0 HG22 ILE A 43 2.260 -21.066 -8.470 1.00 31.11 H new ATOM 0 HG23 ILE A 43 3.990 -21.485 -8.471 1.00 31.11 H new ATOM 0 HD11 ILE A 43 4.837 -21.643 -3.820 1.00 2.14 H new ATOM 0 HD12 ILE A 43 3.554 -20.415 -3.936 1.00 2.14 H new ATOM 0 HD13 ILE A 43 3.238 -22.085 -4.464 1.00 2.14 H new ATOM 684 N VAL A 44 2.819 -18.352 -9.428 1.00 32.54 N ATOM 685 CA VAL A 44 1.814 -17.898 -10.381 1.00 1.41 C ATOM 686 C VAL A 44 1.731 -18.835 -11.580 1.00 62.00 C ATOM 687 O VAL A 44 2.584 -18.803 -12.467 1.00 64.24 O ATOM 688 CB VAL A 44 2.116 -16.472 -10.878 1.00 75.11 C ATOM 689 CG1 VAL A 44 1.340 -15.446 -10.065 1.00 0.24 C ATOM 690 CG2 VAL A 44 3.610 -16.192 -10.817 1.00 14.24 C ATOM 0 H VAL A 44 3.748 -18.485 -9.827 1.00 32.54 H new ATOM 0 HA VAL A 44 0.858 -17.898 -9.857 1.00 1.41 H new ATOM 0 HB VAL A 44 1.796 -16.394 -11.917 1.00 75.11 H new ATOM 0 HG11 VAL A 44 1.567 -14.445 -10.431 1.00 0.24 H new ATOM 0 HG12 VAL A 44 0.271 -15.636 -10.165 1.00 0.24 H new ATOM 0 HG13 VAL A 44 1.625 -15.522 -9.016 1.00 0.24 H new ATOM 0 HG21 VAL A 44 3.805 -15.180 -11.172 1.00 14.24 H new ATOM 0 HG22 VAL A 44 3.957 -16.289 -9.788 1.00 14.24 H new ATOM 0 HG23 VAL A 44 4.140 -16.906 -11.447 1.00 14.24 H new ATOM 700 N ASP A 45 0.696 -19.669 -11.602 1.00 45.32 N ATOM 701 CA ASP A 45 0.499 -20.615 -12.694 1.00 21.31 C ATOM 702 C ASP A 45 -0.193 -19.943 -13.877 1.00 43.53 C ATOM 703 O ASP A 45 -0.922 -18.965 -13.709 1.00 12.42 O ATOM 704 CB ASP A 45 -0.324 -21.812 -12.218 1.00 64.12 C ATOM 705 CG ASP A 45 -1.337 -22.266 -13.250 1.00 63.33 C ATOM 706 OD1 ASP A 45 -1.075 -23.276 -13.935 1.00 21.05 O ATOM 707 OD2 ASP A 45 -2.393 -21.610 -13.371 1.00 51.12 O1- ATOM 0 H ASP A 45 -0.019 -19.709 -10.876 1.00 45.32 H new ATOM 0 HA ASP A 45 1.478 -20.965 -13.020 1.00 21.31 H new ATOM 0 HB2 ASP A 45 0.346 -22.639 -11.983 1.00 64.12 H new ATOM 0 HB3 ASP A 45 -0.842 -21.549 -11.296 1.00 64.12 H new ATOM 712 N LEU A 46 0.041 -20.474 -15.072 1.00 52.01 N ATOM 713 CA LEU A 46 -0.560 -19.927 -16.283 1.00 33.22 C ATOM 714 C LEU A 46 -1.563 -20.906 -16.884 1.00 13.22 C ATOM 715 O LEU A 46 -2.325 -20.557 -17.786 1.00 72.41 O ATOM 716 CB LEU A 46 0.526 -19.595 -17.309 1.00 61.21 C ATOM 717 CG LEU A 46 1.697 -20.575 -17.386 1.00 13.54 C ATOM 718 CD1 LEU A 46 2.280 -20.602 -18.790 1.00 24.32 C ATOM 719 CD2 LEU A 46 2.768 -20.206 -16.370 1.00 32.43 C ATOM 0 H LEU A 46 0.643 -21.283 -15.228 1.00 52.01 H new ATOM 0 HA LEU A 46 -1.090 -19.013 -16.016 1.00 33.22 H new ATOM 0 HB2 LEU A 46 0.062 -19.536 -18.294 1.00 61.21 H new ATOM 0 HB3 LEU A 46 0.921 -18.605 -17.083 1.00 61.21 H new ATOM 0 HG LEU A 46 1.327 -21.573 -17.149 1.00 13.54 H new ATOM 0 HD11 LEU A 46 3.112 -21.305 -18.825 1.00 24.32 H new ATOM 0 HD12 LEU A 46 1.511 -20.914 -19.497 1.00 24.32 H new ATOM 0 HD13 LEU A 46 2.635 -19.606 -19.056 1.00 24.32 H new ATOM 0 HD21 LEU A 46 3.594 -20.914 -16.439 1.00 32.43 H new ATOM 0 HD22 LEU A 46 3.134 -19.200 -16.576 1.00 32.43 H new ATOM 0 HD23 LEU A 46 2.344 -20.239 -15.366 1.00 32.43 H new ATOM 731 N LYS A 47 -1.559 -22.134 -16.378 1.00 32.14 N ATOM 732 CA LYS A 47 -2.470 -23.165 -16.862 1.00 73.41 C ATOM 733 C LYS A 47 -3.909 -22.852 -16.460 1.00 25.15 C ATOM 734 O LYS A 47 -4.811 -22.861 -17.296 1.00 30.54 O ATOM 735 CB LYS A 47 -2.063 -24.534 -16.312 1.00 12.14 C ATOM 736 CG LYS A 47 -0.572 -24.810 -16.411 1.00 71.22 C ATOM 737 CD LYS A 47 -0.228 -26.198 -15.898 1.00 44.04 C ATOM 738 CE LYS A 47 0.522 -27.008 -16.943 1.00 52.41 C ATOM 739 NZ LYS A 47 0.685 -28.430 -16.531 1.00 64.34 N1+ ATOM 0 H LYS A 47 -0.934 -22.440 -15.632 1.00 32.14 H new ATOM 0 HA LYS A 47 -2.411 -23.185 -17.950 1.00 73.41 H new ATOM 0 HB2 LYS A 47 -2.368 -24.602 -15.268 1.00 12.14 H new ATOM 0 HB3 LYS A 47 -2.604 -25.310 -16.854 1.00 12.14 H new ATOM 0 HG2 LYS A 47 -0.251 -24.714 -17.448 1.00 71.22 H new ATOM 0 HG3 LYS A 47 -0.024 -24.063 -15.838 1.00 71.22 H new ATOM 0 HD2 LYS A 47 0.379 -26.114 -14.997 1.00 44.04 H new ATOM 0 HD3 LYS A 47 -1.143 -26.721 -15.618 1.00 44.04 H new ATOM 0 HE2 LYS A 47 -0.015 -26.964 -17.891 1.00 52.41 H new ATOM 0 HE3 LYS A 47 1.503 -26.564 -17.111 1.00 52.41 H new ATOM 0 HZ1 LYS A 47 1.201 -28.949 -17.270 1.00 64.34 H new ATOM 0 HZ2 LYS A 47 1.219 -28.474 -15.640 1.00 64.34 H new ATOM 0 HZ3 LYS A 47 -0.251 -28.862 -16.395 1.00 64.34 H new ATOM 753 N GLN A 48 -4.112 -22.573 -15.177 1.00 45.21 N ATOM 754 CA GLN A 48 -5.440 -22.255 -14.666 1.00 10.22 C ATOM 755 C GLN A 48 -5.521 -20.798 -14.225 1.00 4.23 C ATOM 756 O GLN A 48 -6.571 -20.329 -13.784 1.00 2.01 O ATOM 757 CB GLN A 48 -5.793 -23.176 -13.495 1.00 63.24 C ATOM 758 CG GLN A 48 -5.801 -24.650 -13.862 1.00 72.31 C ATOM 759 CD GLN A 48 -6.289 -25.531 -12.727 1.00 33.43 C ATOM 760 OE1 GLN A 48 -7.126 -26.412 -12.925 1.00 25.31 O ATOM 761 NE2 GLN A 48 -5.765 -25.297 -11.529 1.00 43.10 N ATOM 0 H GLN A 48 -3.374 -22.561 -14.473 1.00 45.21 H new ATOM 0 HA GLN A 48 -6.158 -22.411 -15.471 1.00 10.22 H new ATOM 0 HB2 GLN A 48 -5.078 -23.015 -12.688 1.00 63.24 H new ATOM 0 HB3 GLN A 48 -6.775 -22.901 -13.110 1.00 63.24 H new ATOM 0 HG2 GLN A 48 -6.438 -24.800 -14.733 1.00 72.31 H new ATOM 0 HG3 GLN A 48 -4.794 -24.955 -14.147 1.00 72.31 H new ATOM 0 HE21 GLN A 48 -5.074 -24.556 -11.410 1.00 43.10 H new ATOM 0 HE22 GLN A 48 -6.054 -25.858 -10.728 1.00 43.10 H new ATOM 770 N LEU A 49 -4.406 -20.086 -14.345 1.00 40.44 N ATOM 771 CA LEU A 49 -4.348 -18.681 -13.959 1.00 12.54 C ATOM 772 C LEU A 49 -4.693 -18.508 -12.483 1.00 71.02 C ATOM 773 O LEU A 49 -5.827 -18.178 -12.133 1.00 2.15 O ATOM 774 CB LEU A 49 -5.309 -17.856 -14.819 1.00 75.10 C ATOM 775 CG LEU A 49 -4.824 -17.516 -16.228 1.00 14.43 C ATOM 776 CD1 LEU A 49 -3.500 -16.769 -16.171 1.00 31.41 C ATOM 777 CD2 LEU A 49 -4.689 -18.779 -17.065 1.00 22.10 C ATOM 0 H LEU A 49 -3.529 -20.460 -14.707 1.00 40.44 H new ATOM 0 HA LEU A 49 -3.330 -18.326 -14.120 1.00 12.54 H new ATOM 0 HB2 LEU A 49 -6.250 -18.400 -14.902 1.00 75.10 H new ATOM 0 HB3 LEU A 49 -5.525 -16.924 -14.296 1.00 75.10 H new ATOM 0 HG LEU A 49 -5.564 -16.869 -16.699 1.00 14.43 H new ATOM 0 HD11 LEU A 49 -3.170 -16.535 -17.183 1.00 31.41 H new ATOM 0 HD12 LEU A 49 -3.628 -15.844 -15.608 1.00 31.41 H new ATOM 0 HD13 LEU A 49 -2.752 -17.392 -15.680 1.00 31.41 H new ATOM 0 HD21 LEU A 49 -4.343 -18.518 -18.065 1.00 22.10 H new ATOM 0 HD22 LEU A 49 -3.970 -19.451 -16.596 1.00 22.10 H new ATOM 0 HD23 LEU A 49 -5.657 -19.275 -17.134 1.00 22.10 H new ATOM 789 N LYS A 50 -3.707 -18.731 -11.621 1.00 54.03 N ATOM 790 CA LYS A 50 -3.903 -18.597 -10.182 1.00 73.12 C ATOM 791 C LYS A 50 -2.668 -17.997 -9.518 1.00 13.13 C ATOM 792 O LYS A 50 -1.683 -17.680 -10.187 1.00 33.05 O ATOM 793 CB LYS A 50 -4.218 -19.959 -9.560 1.00 23.41 C ATOM 794 CG LYS A 50 -3.113 -20.984 -9.747 1.00 12.24 C ATOM 795 CD LYS A 50 -2.249 -21.104 -8.503 1.00 71.24 C ATOM 796 CE LYS A 50 -2.426 -22.456 -7.830 1.00 14.43 C ATOM 797 NZ LYS A 50 -2.110 -23.581 -8.753 1.00 41.23 N1+ ATOM 0 H LYS A 50 -2.763 -19.006 -11.894 1.00 54.03 H new ATOM 0 HA LYS A 50 -4.745 -17.925 -10.017 1.00 73.12 H new ATOM 0 HB2 LYS A 50 -4.404 -19.828 -8.494 1.00 23.41 H new ATOM 0 HB3 LYS A 50 -5.138 -20.345 -9.999 1.00 23.41 H new ATOM 0 HG2 LYS A 50 -3.551 -21.954 -9.982 1.00 12.24 H new ATOM 0 HG3 LYS A 50 -2.492 -20.700 -10.597 1.00 12.24 H new ATOM 0 HD2 LYS A 50 -1.202 -20.964 -8.771 1.00 71.24 H new ATOM 0 HD3 LYS A 50 -2.507 -20.311 -7.802 1.00 71.24 H new ATOM 0 HE2 LYS A 50 -1.780 -22.513 -6.954 1.00 14.43 H new ATOM 0 HE3 LYS A 50 -3.452 -22.554 -7.476 1.00 14.43 H new ATOM 0 HZ1 LYS A 50 -1.732 -24.382 -8.208 1.00 41.23 H new ATOM 0 HZ2 LYS A 50 -2.975 -23.877 -9.248 1.00 41.23 H new ATOM 0 HZ3 LYS A 50 -1.402 -23.271 -9.449 1.00 41.23 H new ATOM 811 N VAL A 51 -2.725 -17.844 -8.199 1.00 11.01 N ATOM 812 CA VAL A 51 -1.610 -17.285 -7.445 1.00 51.13 C ATOM 813 C VAL A 51 -1.519 -17.908 -6.056 1.00 24.24 C ATOM 814 O VAL A 51 -2.533 -18.257 -5.453 1.00 11.33 O ATOM 815 CB VAL A 51 -1.739 -15.756 -7.302 1.00 74.54 C ATOM 816 CG1 VAL A 51 -0.532 -15.183 -6.577 1.00 60.22 C ATOM 817 CG2 VAL A 51 -1.909 -15.107 -8.667 1.00 51.31 C ATOM 0 H VAL A 51 -3.532 -18.100 -7.630 1.00 11.01 H new ATOM 0 HA VAL A 51 -0.703 -17.515 -8.004 1.00 51.13 H new ATOM 0 HB VAL A 51 -2.626 -15.538 -6.707 1.00 74.54 H new ATOM 0 HG11 VAL A 51 -0.642 -14.102 -6.486 1.00 60.22 H new ATOM 0 HG12 VAL A 51 -0.460 -15.626 -5.583 1.00 60.22 H new ATOM 0 HG13 VAL A 51 0.373 -15.410 -7.141 1.00 60.22 H new ATOM 0 HG21 VAL A 51 -1.999 -14.027 -8.548 1.00 51.31 H new ATOM 0 HG22 VAL A 51 -1.042 -15.333 -9.288 1.00 51.31 H new ATOM 0 HG23 VAL A 51 -2.808 -15.495 -9.145 1.00 51.31 H new ATOM 827 N ASP A 52 -0.296 -18.042 -5.554 1.00 34.02 N ATOM 828 CA ASP A 52 -0.071 -18.622 -4.235 1.00 10.05 C ATOM 829 C ASP A 52 1.223 -18.094 -3.623 1.00 41.12 C ATOM 830 O ASP A 52 2.038 -17.477 -4.309 1.00 32.23 O ATOM 831 CB ASP A 52 -0.022 -20.148 -4.327 1.00 62.44 C ATOM 832 CG ASP A 52 -0.770 -20.680 -5.534 1.00 53.22 C ATOM 833 OD1 ASP A 52 -0.114 -20.975 -6.556 1.00 40.15 O ATOM 834 OD2 ASP A 52 -2.009 -20.804 -5.455 1.00 41.01 O1- ATOM 0 H ASP A 52 0.554 -17.757 -6.040 1.00 34.02 H new ATOM 0 HA ASP A 52 -0.901 -18.332 -3.591 1.00 10.05 H new ATOM 0 HB2 ASP A 52 1.017 -20.473 -4.375 1.00 62.44 H new ATOM 0 HB3 ASP A 52 -0.449 -20.578 -3.421 1.00 62.44 H new ATOM 839 N GLN A 53 1.404 -18.341 -2.330 1.00 45.12 N ATOM 840 CA GLN A 53 2.598 -17.889 -1.626 1.00 63.05 C ATOM 841 C GLN A 53 3.647 -18.994 -1.567 1.00 31.52 C ATOM 842 O GLN A 53 3.318 -20.179 -1.617 1.00 43.42 O ATOM 843 CB GLN A 53 2.240 -17.434 -0.210 1.00 21.35 C ATOM 844 CG GLN A 53 2.851 -16.095 0.172 1.00 51.34 C ATOM 845 CD GLN A 53 3.729 -16.185 1.405 1.00 13.11 C ATOM 846 OE1 GLN A 53 4.790 -16.979 1.319 1.00 31.44 O flip ATOM 847 NE2 GLN A 53 3.457 -15.548 2.423 1.00 1.42 N flip ATOM 0 H GLN A 53 0.739 -18.851 -1.749 1.00 45.12 H new ATOM 0 HA GLN A 53 3.015 -17.046 -2.177 1.00 63.05 H new ATOM 0 HB2 GLN A 53 1.156 -17.367 -0.122 1.00 21.35 H new ATOM 0 HB3 GLN A 53 2.571 -18.191 0.501 1.00 21.35 H new ATOM 0 HG2 GLN A 53 3.441 -15.718 -0.663 1.00 51.34 H new ATOM 0 HG3 GLN A 53 2.054 -15.374 0.350 1.00 51.34 H new ATOM 0 HE21 GLN A 53 2.631 -14.950 2.445 1.00 1.42 H new ATOM 0 HE22 GLN A 53 4.057 -15.619 3.244 1.00 1.42 H new ATOM 856 N GLY A 54 4.911 -18.599 -1.462 1.00 60.23 N ATOM 857 CA GLY A 54 5.990 -19.568 -1.399 1.00 32.11 C ATOM 858 C GLY A 54 6.521 -19.934 -2.771 1.00 61.12 C ATOM 859 O GLY A 54 6.422 -19.147 -3.712 1.00 34.53 O ATOM 0 H GLY A 54 5.208 -17.624 -1.419 1.00 60.23 H new ATOM 0 HA2 GLY A 54 6.802 -19.164 -0.794 1.00 32.11 H new ATOM 0 HA3 GLY A 54 5.636 -20.469 -0.897 1.00 32.11 H new ATOM 863 N VAL A 55 7.091 -21.130 -2.883 1.00 63.32 N ATOM 864 CA VAL A 55 7.641 -21.597 -4.150 1.00 0.23 C ATOM 865 C VAL A 55 7.018 -22.926 -4.563 1.00 31.05 C ATOM 866 O VAL A 55 6.669 -23.750 -3.717 1.00 13.53 O ATOM 867 CB VAL A 55 9.171 -21.763 -4.070 1.00 42.13 C ATOM 868 CG1 VAL A 55 9.542 -22.786 -3.007 1.00 35.12 C ATOM 869 CG2 VAL A 55 9.735 -22.161 -5.425 1.00 61.54 C ATOM 0 H VAL A 55 7.184 -21.792 -2.113 1.00 63.32 H new ATOM 0 HA VAL A 55 7.403 -20.840 -4.897 1.00 0.23 H new ATOM 0 HB VAL A 55 9.609 -20.806 -3.787 1.00 42.13 H new ATOM 0 HG11 VAL A 55 10.626 -22.890 -2.965 1.00 35.12 H new ATOM 0 HG12 VAL A 55 9.171 -22.454 -2.037 1.00 35.12 H new ATOM 0 HG13 VAL A 55 9.095 -23.748 -3.256 1.00 35.12 H new ATOM 0 HG21 VAL A 55 10.817 -22.274 -5.350 1.00 61.54 H new ATOM 0 HG22 VAL A 55 9.293 -23.106 -5.740 1.00 61.54 H new ATOM 0 HG23 VAL A 55 9.501 -21.389 -6.158 1.00 61.54 H new ATOM 879 N PHE A 56 6.882 -23.128 -5.869 1.00 21.01 N ATOM 880 CA PHE A 56 6.300 -24.358 -6.396 1.00 21.13 C ATOM 881 C PHE A 56 7.312 -25.498 -6.357 1.00 72.32 C ATOM 882 O PHE A 56 8.519 -25.269 -6.285 1.00 54.15 O ATOM 883 CB PHE A 56 5.812 -24.142 -7.829 1.00 15.22 C ATOM 884 CG PHE A 56 4.992 -25.283 -8.361 1.00 13.30 C ATOM 885 CD1 PHE A 56 5.327 -25.894 -9.560 1.00 53.50 C ATOM 886 CD2 PHE A 56 3.888 -25.745 -7.664 1.00 11.02 C ATOM 887 CE1 PHE A 56 4.576 -26.945 -10.052 1.00 22.55 C ATOM 888 CE2 PHE A 56 3.133 -26.794 -8.152 1.00 40.34 C ATOM 889 CZ PHE A 56 3.476 -27.395 -9.347 1.00 32.22 C ATOM 0 H PHE A 56 7.167 -22.457 -6.582 1.00 21.01 H new ATOM 0 HA PHE A 56 5.451 -24.628 -5.768 1.00 21.13 H new ATOM 0 HB2 PHE A 56 5.218 -23.229 -7.868 1.00 15.22 H new ATOM 0 HB3 PHE A 56 6.674 -23.990 -8.479 1.00 15.22 H new ATOM 0 HD1 PHE A 56 6.185 -25.545 -10.116 1.00 53.50 H new ATOM 0 HD2 PHE A 56 3.614 -25.280 -6.728 1.00 11.02 H new ATOM 0 HE1 PHE A 56 4.849 -27.414 -10.986 1.00 22.55 H new ATOM 0 HE2 PHE A 56 2.274 -27.144 -7.599 1.00 40.34 H new ATOM 0 HZ PHE A 56 2.886 -28.215 -9.730 1.00 32.22 H new ATOM 899 N ALA A 57 6.811 -26.729 -6.404 1.00 32.10 N ATOM 900 CA ALA A 57 7.670 -27.905 -6.376 1.00 4.40 C ATOM 901 C ALA A 57 8.756 -27.818 -7.443 1.00 45.14 C ATOM 902 O ALA A 57 9.869 -28.307 -7.251 1.00 5.11 O ATOM 903 CB ALA A 57 6.842 -29.168 -6.566 1.00 15.14 C ATOM 0 H ALA A 57 5.814 -26.936 -6.462 1.00 32.10 H new ATOM 0 HA ALA A 57 8.157 -27.945 -5.402 1.00 4.40 H new ATOM 0 HB1 ALA A 57 7.497 -30.039 -6.543 1.00 15.14 H new ATOM 0 HB2 ALA A 57 6.107 -29.245 -5.765 1.00 15.14 H new ATOM 0 HB3 ALA A 57 6.329 -29.125 -7.527 1.00 15.14 H new ATOM 909 N SER A 58 8.425 -27.192 -8.568 1.00 54.32 N ATOM 910 CA SER A 58 9.372 -27.045 -9.668 1.00 12.25 C ATOM 911 C SER A 58 8.756 -26.241 -10.809 1.00 23.03 C ATOM 912 O SER A 58 8.220 -26.793 -11.771 1.00 74.33 O ATOM 913 CB SER A 58 9.814 -28.418 -10.175 1.00 24.15 C ATOM 914 OG SER A 58 10.455 -28.314 -11.434 1.00 63.33 O ATOM 0 H SER A 58 7.509 -26.779 -8.742 1.00 54.32 H new ATOM 0 HA SER A 58 10.244 -26.506 -9.296 1.00 12.25 H new ATOM 0 HB2 SER A 58 10.493 -28.874 -9.454 1.00 24.15 H new ATOM 0 HB3 SER A 58 8.948 -29.075 -10.257 1.00 24.15 H new ATOM 0 HG SER A 58 10.730 -29.205 -11.736 1.00 63.33 H new ATOM 920 N PRO A 59 8.835 -24.907 -10.703 1.00 64.12 N ATOM 921 CA PRO A 59 8.292 -23.998 -11.717 1.00 73.32 C ATOM 922 C PRO A 59 9.088 -24.039 -13.017 1.00 23.22 C ATOM 923 O PRO A 59 10.286 -24.317 -13.014 1.00 4.44 O ATOM 924 CB PRO A 59 8.411 -22.621 -11.060 1.00 61.42 C ATOM 925 CG PRO A 59 9.525 -22.764 -10.081 1.00 4.13 C ATOM 926 CD PRO A 59 9.460 -24.182 -9.584 1.00 10.03 C ATOM 0 HA PRO A 59 7.273 -24.264 -11.999 1.00 73.32 H new ATOM 0 HB2 PRO A 59 8.628 -21.848 -11.797 1.00 61.42 H new ATOM 0 HB3 PRO A 59 7.483 -22.337 -10.565 1.00 61.42 H new ATOM 0 HG2 PRO A 59 10.487 -22.559 -10.551 1.00 4.13 H new ATOM 0 HG3 PRO A 59 9.415 -22.057 -9.259 1.00 4.13 H new ATOM 0 HD2 PRO A 59 10.451 -24.573 -9.355 1.00 10.03 H new ATOM 0 HD3 PRO A 59 8.868 -24.262 -8.673 1.00 10.03 H new ATOM 934 N ASP A 60 8.412 -23.761 -14.127 1.00 20.31 N ATOM 935 CA ASP A 60 9.057 -23.764 -15.435 1.00 71.05 C ATOM 936 C ASP A 60 10.012 -22.583 -15.574 1.00 72.31 C ATOM 937 O ASP A 60 10.939 -22.612 -16.383 1.00 5.43 O ATOM 938 CB ASP A 60 8.007 -23.720 -16.546 1.00 60.31 C ATOM 939 CG ASP A 60 8.478 -24.400 -17.817 1.00 74.41 C ATOM 940 OD1 ASP A 60 9.693 -24.667 -17.931 1.00 62.40 O ATOM 941 OD2 ASP A 60 7.632 -24.664 -18.696 1.00 72.43 O1- ATOM 0 H ASP A 60 7.418 -23.531 -14.147 1.00 20.31 H new ATOM 0 HA ASP A 60 9.632 -24.685 -15.526 1.00 71.05 H new ATOM 0 HB2 ASP A 60 7.093 -24.201 -16.197 1.00 60.31 H new ATOM 0 HB3 ASP A 60 7.757 -22.682 -16.764 1.00 60.31 H new ATOM 946 N VAL A 61 9.778 -21.543 -14.778 1.00 23.13 N ATOM 947 CA VAL A 61 10.618 -20.351 -14.812 1.00 4.42 C ATOM 948 C VAL A 61 10.661 -19.671 -13.449 1.00 2.01 C ATOM 949 O VAL A 61 9.676 -19.675 -12.708 1.00 3.25 O ATOM 950 CB VAL A 61 10.116 -19.341 -15.862 1.00 33.32 C ATOM 951 CG1 VAL A 61 10.877 -18.029 -15.747 1.00 0.55 C ATOM 952 CG2 VAL A 61 10.245 -19.921 -17.263 1.00 33.43 C ATOM 0 H VAL A 61 9.015 -21.502 -14.103 1.00 23.13 H new ATOM 0 HA VAL A 61 11.622 -20.678 -15.084 1.00 4.42 H new ATOM 0 HB VAL A 61 9.062 -19.140 -15.673 1.00 33.32 H new ATOM 0 HG11 VAL A 61 10.509 -17.328 -16.496 1.00 0.55 H new ATOM 0 HG12 VAL A 61 10.729 -17.608 -14.753 1.00 0.55 H new ATOM 0 HG13 VAL A 61 11.940 -18.209 -15.910 1.00 0.55 H new ATOM 0 HG21 VAL A 61 9.886 -19.195 -17.992 1.00 33.43 H new ATOM 0 HG22 VAL A 61 11.291 -20.153 -17.466 1.00 33.43 H new ATOM 0 HG23 VAL A 61 9.651 -20.832 -17.336 1.00 33.43 H new ATOM 962 N THR A 62 11.808 -19.086 -13.121 1.00 50.24 N ATOM 963 CA THR A 62 11.981 -18.402 -11.846 1.00 14.23 C ATOM 964 C THR A 62 12.290 -16.923 -12.053 1.00 31.34 C ATOM 965 O THR A 62 13.378 -16.562 -12.500 1.00 52.43 O ATOM 966 CB THR A 62 13.112 -19.039 -11.016 1.00 64.24 C ATOM 967 OG1 THR A 62 13.499 -20.290 -11.593 1.00 4.13 O ATOM 968 CG2 THR A 62 12.669 -19.254 -9.577 1.00 53.40 C ATOM 0 H THR A 62 12.632 -19.072 -13.722 1.00 50.24 H new ATOM 0 HA THR A 62 11.041 -18.502 -11.304 1.00 14.23 H new ATOM 0 HB THR A 62 13.964 -18.359 -11.021 1.00 64.24 H new ATOM 0 HG1 THR A 62 14.219 -20.687 -11.060 1.00 4.13 H new ATOM 0 HG21 THR A 62 13.483 -19.705 -9.009 1.00 53.40 H new ATOM 0 HG22 THR A 62 12.403 -18.296 -9.131 1.00 53.40 H new ATOM 0 HG23 THR A 62 11.803 -19.916 -9.558 1.00 53.40 H new ATOM 976 N VAL A 63 11.324 -16.071 -11.725 1.00 71.42 N ATOM 977 CA VAL A 63 11.493 -14.630 -11.873 1.00 52.44 C ATOM 978 C VAL A 63 12.099 -14.016 -10.616 1.00 12.25 C ATOM 979 O VAL A 63 11.626 -14.254 -9.505 1.00 15.12 O ATOM 980 CB VAL A 63 10.152 -13.935 -12.175 1.00 74.33 C ATOM 981 CG1 VAL A 63 10.362 -12.448 -12.412 1.00 23.22 C ATOM 982 CG2 VAL A 63 9.474 -14.585 -13.373 1.00 54.53 C ATOM 0 H VAL A 63 10.416 -16.353 -11.355 1.00 71.42 H new ATOM 0 HA VAL A 63 12.171 -14.476 -12.713 1.00 52.44 H new ATOM 0 HB VAL A 63 9.499 -14.051 -11.310 1.00 74.33 H new ATOM 0 HG11 VAL A 63 9.403 -11.974 -12.624 1.00 23.22 H new ATOM 0 HG12 VAL A 63 10.801 -11.996 -11.523 1.00 23.22 H new ATOM 0 HG13 VAL A 63 11.032 -12.306 -13.260 1.00 23.22 H new ATOM 0 HG21 VAL A 63 8.528 -14.082 -13.573 1.00 54.53 H new ATOM 0 HG22 VAL A 63 10.121 -14.502 -14.246 1.00 54.53 H new ATOM 0 HG23 VAL A 63 9.287 -15.637 -13.159 1.00 54.53 H new ATOM 992 N THR A 64 13.151 -13.223 -10.800 1.00 21.22 N ATOM 993 CA THR A 64 13.822 -12.574 -9.681 1.00 44.01 C ATOM 994 C THR A 64 13.840 -11.059 -9.854 1.00 25.10 C ATOM 995 O THR A 64 14.557 -10.529 -10.703 1.00 72.04 O ATOM 996 CB THR A 64 15.270 -13.079 -9.526 1.00 34.33 C ATOM 997 OG1 THR A 64 15.556 -14.059 -10.528 1.00 1.35 O ATOM 998 CG2 THR A 64 15.488 -13.678 -8.145 1.00 73.53 C ATOM 0 H THR A 64 13.556 -13.015 -11.713 1.00 21.22 H new ATOM 0 HA THR A 64 13.258 -12.827 -8.783 1.00 44.01 H new ATOM 0 HB THR A 64 15.943 -12.230 -9.647 1.00 34.33 H new ATOM 0 HG1 THR A 64 16.327 -14.596 -10.249 1.00 1.35 H new ATOM 0 HG21 THR A 64 16.517 -14.028 -8.058 1.00 73.53 H new ATOM 0 HG22 THR A 64 15.297 -12.920 -7.385 1.00 73.53 H new ATOM 0 HG23 THR A 64 14.806 -14.516 -8.000 1.00 73.53 H new ATOM 1006 N VAL A 65 13.046 -10.366 -9.043 1.00 24.10 N ATOM 1007 CA VAL A 65 12.972 -8.912 -9.104 1.00 44.40 C ATOM 1008 C VAL A 65 12.918 -8.304 -7.707 1.00 72.43 C ATOM 1009 O VAL A 65 12.056 -8.651 -6.901 1.00 51.43 O ATOM 1010 CB VAL A 65 11.740 -8.446 -9.902 1.00 33.51 C ATOM 1011 CG1 VAL A 65 10.461 -8.950 -9.253 1.00 53.11 C ATOM 1012 CG2 VAL A 65 11.726 -6.930 -10.022 1.00 61.51 C ATOM 0 H VAL A 65 12.445 -10.789 -8.336 1.00 24.10 H new ATOM 0 HA VAL A 65 13.875 -8.571 -9.610 1.00 44.40 H new ATOM 0 HB VAL A 65 11.799 -8.866 -10.906 1.00 33.51 H new ATOM 0 HG11 VAL A 65 9.601 -8.611 -9.831 1.00 53.11 H new ATOM 0 HG12 VAL A 65 10.472 -10.040 -9.225 1.00 53.11 H new ATOM 0 HG13 VAL A 65 10.391 -8.562 -8.237 1.00 53.11 H new ATOM 0 HG21 VAL A 65 10.849 -6.618 -10.589 1.00 61.51 H new ATOM 0 HG22 VAL A 65 11.692 -6.487 -9.027 1.00 61.51 H new ATOM 0 HG23 VAL A 65 12.628 -6.597 -10.537 1.00 61.51 H new ATOM 1022 N GLY A 66 13.845 -7.393 -7.427 1.00 71.14 N ATOM 1023 CA GLY A 66 13.886 -6.751 -6.127 1.00 41.23 C ATOM 1024 C GLY A 66 12.618 -5.979 -5.821 1.00 23.54 C ATOM 1025 O GLY A 66 11.810 -5.720 -6.714 1.00 73.14 O ATOM 0 H GLY A 66 14.569 -7.088 -8.078 1.00 71.14 H new ATOM 0 HA2 GLY A 66 14.042 -7.506 -5.357 1.00 41.23 H new ATOM 0 HA3 GLY A 66 14.739 -6.073 -6.087 1.00 41.23 H new ATOM 1029 N LEU A 67 12.439 -5.614 -4.557 1.00 13.24 N ATOM 1030 CA LEU A 67 11.258 -4.868 -4.136 1.00 45.22 C ATOM 1031 C LEU A 67 11.139 -3.557 -4.904 1.00 21.23 C ATOM 1032 O LEU A 67 10.164 -3.332 -5.620 1.00 45.23 O ATOM 1033 CB LEU A 67 11.317 -4.590 -2.632 1.00 52.23 C ATOM 1034 CG LEU A 67 9.972 -4.360 -1.940 1.00 43.21 C ATOM 1035 CD1 LEU A 67 9.297 -5.687 -1.632 1.00 15.22 C ATOM 1036 CD2 LEU A 67 10.161 -3.547 -0.666 1.00 21.12 C ATOM 0 H LEU A 67 13.096 -5.822 -3.805 1.00 13.24 H new ATOM 0 HA LEU A 67 10.378 -5.474 -4.353 1.00 45.22 H new ATOM 0 HB2 LEU A 67 11.814 -5.430 -2.146 1.00 52.23 H new ATOM 0 HB3 LEU A 67 11.942 -3.712 -2.469 1.00 52.23 H new ATOM 0 HG LEU A 67 9.328 -3.797 -2.615 1.00 43.21 H new ATOM 0 HD11 LEU A 67 8.342 -5.504 -1.140 1.00 15.22 H new ATOM 0 HD12 LEU A 67 9.128 -6.233 -2.560 1.00 15.22 H new ATOM 0 HD13 LEU A 67 9.936 -6.277 -0.975 1.00 15.22 H new ATOM 0 HD21 LEU A 67 9.195 -3.392 -0.186 1.00 21.12 H new ATOM 0 HD22 LEU A 67 10.822 -4.085 0.014 1.00 21.12 H new ATOM 0 HD23 LEU A 67 10.602 -2.581 -0.913 1.00 21.12 H new ATOM 1048 N GLU A 68 12.140 -2.694 -4.750 1.00 23.10 N ATOM 1049 CA GLU A 68 12.147 -1.405 -5.431 1.00 24.34 C ATOM 1050 C GLU A 68 11.828 -1.570 -6.914 1.00 61.31 C ATOM 1051 O GLU A 68 10.996 -0.849 -7.465 1.00 21.23 O ATOM 1052 CB GLU A 68 13.507 -0.723 -5.264 1.00 2.03 C ATOM 1053 CG GLU A 68 13.989 -0.671 -3.824 1.00 62.33 C ATOM 1054 CD GLU A 68 12.916 -0.188 -2.867 1.00 54.24 C ATOM 1055 OE1 GLU A 68 12.193 0.766 -3.220 1.00 72.13 O ATOM 1056 OE2 GLU A 68 12.800 -0.765 -1.765 1.00 60.41 O1- ATOM 0 H GLU A 68 12.955 -2.865 -4.160 1.00 23.10 H new ATOM 0 HA GLU A 68 11.376 -0.781 -4.979 1.00 24.34 H new ATOM 0 HB2 GLU A 68 14.246 -1.252 -5.867 1.00 2.03 H new ATOM 0 HB3 GLU A 68 13.445 0.293 -5.654 1.00 2.03 H new ATOM 0 HG2 GLU A 68 14.322 -1.663 -3.520 1.00 62.33 H new ATOM 0 HG3 GLU A 68 14.854 -0.011 -3.758 1.00 62.33 H new ATOM 1063 N ASP A 69 12.495 -2.524 -7.554 1.00 20.45 N ATOM 1064 CA ASP A 69 12.282 -2.787 -8.972 1.00 42.22 C ATOM 1065 C ASP A 69 10.799 -2.974 -9.274 1.00 43.43 C ATOM 1066 O ASP A 69 10.252 -2.332 -10.169 1.00 14.14 O ATOM 1067 CB ASP A 69 13.064 -4.028 -9.406 1.00 71.20 C ATOM 1068 CG ASP A 69 14.558 -3.870 -9.203 1.00 61.35 C ATOM 1069 OD1 ASP A 69 15.256 -4.901 -9.097 1.00 51.33 O ATOM 1070 OD2 ASP A 69 15.032 -2.716 -9.150 1.00 23.21 O1- ATOM 0 H ASP A 69 13.188 -3.128 -7.113 1.00 20.45 H new ATOM 0 HA ASP A 69 12.643 -1.925 -9.534 1.00 42.22 H new ATOM 0 HB2 ASP A 69 12.713 -4.891 -8.841 1.00 71.20 H new ATOM 0 HB3 ASP A 69 12.863 -4.232 -10.458 1.00 71.20 H new ATOM 1075 N MET A 70 10.154 -3.860 -8.521 1.00 54.02 N ATOM 1076 CA MET A 70 8.734 -4.132 -8.709 1.00 40.11 C ATOM 1077 C MET A 70 7.900 -2.887 -8.426 1.00 33.44 C ATOM 1078 O MET A 70 7.153 -2.419 -9.287 1.00 2.01 O ATOM 1079 CB MET A 70 8.287 -5.276 -7.797 1.00 64.44 C ATOM 1080 CG MET A 70 8.130 -6.604 -8.521 1.00 53.12 C ATOM 1081 SD MET A 70 6.411 -7.141 -8.621 1.00 44.35 S ATOM 1082 CE MET A 70 6.373 -7.844 -10.268 1.00 74.02 C ATOM 0 H MET A 70 10.592 -4.401 -7.776 1.00 54.02 H new ATOM 0 HA MET A 70 8.580 -4.423 -9.748 1.00 40.11 H new ATOM 0 HB2 MET A 70 9.013 -5.394 -6.993 1.00 64.44 H new ATOM 0 HB3 MET A 70 7.337 -5.010 -7.333 1.00 64.44 H new ATOM 0 HG2 MET A 70 8.538 -6.515 -9.528 1.00 53.12 H new ATOM 0 HG3 MET A 70 8.715 -7.366 -8.006 1.00 53.12 H new ATOM 0 HE1 MET A 70 5.372 -8.221 -10.480 1.00 74.02 H new ATOM 0 HE2 MET A 70 6.633 -7.077 -10.997 1.00 74.02 H new ATOM 0 HE3 MET A 70 7.090 -8.663 -10.331 1.00 74.02 H new ATOM 1092 N LEU A 71 8.032 -2.353 -7.217 1.00 4.41 N ATOM 1093 CA LEU A 71 7.290 -1.160 -6.821 1.00 52.32 C ATOM 1094 C LEU A 71 7.432 -0.059 -7.866 1.00 50.24 C ATOM 1095 O LEU A 71 6.493 0.694 -8.121 1.00 51.41 O ATOM 1096 CB LEU A 71 7.783 -0.657 -5.463 1.00 73.33 C ATOM 1097 CG LEU A 71 7.812 -1.689 -4.336 1.00 72.22 C ATOM 1098 CD1 LEU A 71 8.896 -1.347 -3.325 1.00 1.03 C ATOM 1099 CD2 LEU A 71 6.454 -1.774 -3.654 1.00 30.51 C ATOM 0 H LEU A 71 8.646 -2.727 -6.493 1.00 4.41 H new ATOM 0 HA LEU A 71 6.236 -1.427 -6.742 1.00 52.32 H new ATOM 0 HB2 LEU A 71 8.789 -0.258 -5.589 1.00 73.33 H new ATOM 0 HB3 LEU A 71 7.148 0.173 -5.153 1.00 73.33 H new ATOM 0 HG LEU A 71 8.041 -2.663 -4.769 1.00 72.22 H new ATOM 0 HD11 LEU A 71 8.901 -2.093 -2.530 1.00 1.03 H new ATOM 0 HD12 LEU A 71 9.867 -1.339 -3.821 1.00 1.03 H new ATOM 0 HD13 LEU A 71 8.698 -0.364 -2.898 1.00 1.03 H new ATOM 0 HD21 LEU A 71 6.494 -2.514 -2.854 1.00 30.51 H new ATOM 0 HD22 LEU A 71 6.195 -0.801 -3.236 1.00 30.51 H new ATOM 0 HD23 LEU A 71 5.699 -2.068 -4.383 1.00 30.51 H new ATOM 1111 N ALA A 72 8.613 0.028 -8.471 1.00 72.12 N ATOM 1112 CA ALA A 72 8.877 1.034 -9.492 1.00 10.33 C ATOM 1113 C ALA A 72 7.916 0.888 -10.667 1.00 3.31 C ATOM 1114 O ALA A 72 7.283 1.857 -11.088 1.00 20.22 O ATOM 1115 CB ALA A 72 10.318 0.937 -9.969 1.00 1.25 C ATOM 0 H ALA A 72 9.402 -0.587 -8.271 1.00 72.12 H new ATOM 0 HA ALA A 72 8.720 2.017 -9.048 1.00 10.33 H new ATOM 0 HB1 ALA A 72 10.501 1.694 -10.731 1.00 1.25 H new ATOM 0 HB2 ALA A 72 10.992 1.099 -9.128 1.00 1.25 H new ATOM 0 HB3 ALA A 72 10.496 -0.052 -10.390 1.00 1.25 H new ATOM 1121 N ILE A 73 7.815 -0.328 -11.194 1.00 10.35 N ATOM 1122 CA ILE A 73 6.931 -0.599 -12.322 1.00 70.44 C ATOM 1123 C ILE A 73 5.468 -0.566 -11.894 1.00 3.41 C ATOM 1124 O ILE A 73 4.680 0.231 -12.403 1.00 51.33 O ATOM 1125 CB ILE A 73 7.237 -1.967 -12.959 1.00 2.34 C ATOM 1126 CG1 ILE A 73 8.748 -2.159 -13.106 1.00 5.34 C ATOM 1127 CG2 ILE A 73 6.548 -2.088 -14.310 1.00 52.42 C ATOM 1128 CD1 ILE A 73 9.130 -3.469 -13.761 1.00 20.44 C ATOM 0 H ILE A 73 8.333 -1.140 -10.859 1.00 10.35 H new ATOM 0 HA ILE A 73 7.109 0.184 -13.059 1.00 70.44 H new ATOM 0 HB ILE A 73 6.852 -2.750 -12.306 1.00 2.34 H new ATOM 0 HG12 ILE A 73 9.155 -1.336 -13.693 1.00 5.34 H new ATOM 0 HG13 ILE A 73 9.210 -2.106 -12.120 1.00 5.34 H new ATOM 0 HG21 ILE A 73 6.774 -3.060 -14.748 1.00 52.42 H new ATOM 0 HG22 ILE A 73 5.470 -1.991 -14.179 1.00 52.42 H new ATOM 0 HG23 ILE A 73 6.906 -1.300 -14.973 1.00 52.42 H new ATOM 0 HD11 ILE A 73 10.216 -3.537 -13.832 1.00 20.44 H new ATOM 0 HD12 ILE A 73 8.753 -4.298 -13.163 1.00 20.44 H new ATOM 0 HD13 ILE A 73 8.697 -3.516 -14.760 1.00 20.44 H new ATOM 1140 N SER A 74 5.112 -1.435 -10.953 1.00 34.22 N ATOM 1141 CA SER A 74 3.743 -1.507 -10.458 1.00 34.44 C ATOM 1142 C SER A 74 3.273 -0.144 -9.958 1.00 12.00 C ATOM 1143 O SER A 74 2.075 0.124 -9.884 1.00 4.54 O ATOM 1144 CB SER A 74 3.638 -2.538 -9.333 1.00 32.15 C ATOM 1145 OG SER A 74 2.825 -2.059 -8.276 1.00 43.53 O ATOM 0 H SER A 74 5.753 -2.099 -10.518 1.00 34.22 H new ATOM 0 HA SER A 74 3.101 -1.813 -11.284 1.00 34.44 H new ATOM 0 HB2 SER A 74 3.222 -3.466 -9.724 1.00 32.15 H new ATOM 0 HB3 SER A 74 4.633 -2.770 -8.954 1.00 32.15 H new ATOM 0 HG SER A 74 2.154 -2.736 -8.047 1.00 43.53 H new ATOM 1151 N GLY A 75 4.230 0.715 -9.616 1.00 30.23 N ATOM 1152 CA GLY A 75 3.895 2.041 -9.127 1.00 71.54 C ATOM 1153 C GLY A 75 3.400 2.956 -10.229 1.00 52.41 C ATOM 1154 O GLY A 75 3.059 4.113 -9.979 1.00 72.55 O ATOM 0 H GLY A 75 5.229 0.517 -9.669 1.00 30.23 H new ATOM 0 HA2 GLY A 75 3.129 1.958 -8.356 1.00 71.54 H new ATOM 0 HA3 GLY A 75 4.773 2.485 -8.657 1.00 71.54 H new ATOM 1158 N LYS A 76 3.361 2.441 -11.453 1.00 72.22 N ATOM 1159 CA LYS A 76 2.904 3.219 -12.597 1.00 63.32 C ATOM 1160 C LYS A 76 3.909 4.312 -12.947 1.00 4.25 C ATOM 1161 O LYS A 76 3.633 5.181 -13.776 1.00 51.51 O ATOM 1162 CB LYS A 76 1.537 3.843 -12.304 1.00 43.21 C ATOM 1163 CG LYS A 76 0.629 2.954 -11.472 1.00 10.13 C ATOM 1164 CD LYS A 76 -0.830 3.134 -11.853 1.00 41.34 C ATOM 1165 CE LYS A 76 -1.694 3.417 -10.635 1.00 40.22 C ATOM 1166 NZ LYS A 76 -1.970 4.872 -10.475 1.00 53.25 N1+ ATOM 0 H LYS A 76 3.641 1.486 -11.678 1.00 72.22 H new ATOM 0 HA LYS A 76 2.813 2.546 -13.449 1.00 63.32 H new ATOM 0 HB2 LYS A 76 1.683 4.789 -11.782 1.00 43.21 H new ATOM 0 HB3 LYS A 76 1.042 4.072 -13.248 1.00 43.21 H new ATOM 0 HG2 LYS A 76 0.915 1.911 -11.608 1.00 10.13 H new ATOM 0 HG3 LYS A 76 0.761 3.185 -10.415 1.00 10.13 H new ATOM 0 HD2 LYS A 76 -0.923 3.955 -12.564 1.00 41.34 H new ATOM 0 HD3 LYS A 76 -1.190 2.235 -12.354 1.00 41.34 H new ATOM 0 HE2 LYS A 76 -2.636 2.877 -10.725 1.00 40.22 H new ATOM 0 HE3 LYS A 76 -1.195 3.042 -9.741 1.00 40.22 H new ATOM 0 HZ1 LYS A 76 -2.562 5.023 -9.633 1.00 53.25 H new ATOM 0 HZ2 LYS A 76 -1.072 5.385 -10.363 1.00 53.25 H new ATOM 0 HZ3 LYS A 76 -2.469 5.225 -11.317 1.00 53.25 H new ATOM 1180 N THR A 77 5.076 4.263 -12.312 1.00 13.43 N ATOM 1181 CA THR A 77 6.121 5.248 -12.557 1.00 43.43 C ATOM 1182 C THR A 77 7.227 4.671 -13.432 1.00 63.21 C ATOM 1183 O THR A 77 7.901 5.400 -14.162 1.00 21.54 O ATOM 1184 CB THR A 77 6.736 5.754 -11.239 1.00 71.41 C ATOM 1185 OG1 THR A 77 7.636 6.837 -11.501 1.00 24.34 O ATOM 1186 CG2 THR A 77 7.478 4.634 -10.523 1.00 61.23 C ATOM 0 H THR A 77 5.321 3.551 -11.624 1.00 13.43 H new ATOM 0 HA THR A 77 5.651 6.084 -13.075 1.00 43.43 H new ATOM 0 HB THR A 77 5.927 6.102 -10.597 1.00 71.41 H new ATOM 0 HG1 THR A 77 8.021 7.154 -10.657 1.00 24.34 H new ATOM 0 HG21 THR A 77 7.904 5.015 -9.595 1.00 61.23 H new ATOM 0 HG22 THR A 77 6.784 3.824 -10.298 1.00 61.23 H new ATOM 0 HG23 THR A 77 8.278 4.260 -11.163 1.00 61.23 H new ATOM 1194 N LEU A 78 7.409 3.356 -13.357 1.00 61.23 N ATOM 1195 CA LEU A 78 8.434 2.680 -14.145 1.00 64.41 C ATOM 1196 C LEU A 78 7.810 1.653 -15.083 1.00 4.21 C ATOM 1197 O LEU A 78 6.623 1.340 -14.981 1.00 64.35 O ATOM 1198 CB LEU A 78 9.445 1.996 -13.222 1.00 40.00 C ATOM 1199 CG LEU A 78 10.881 1.919 -13.741 1.00 14.14 C ATOM 1200 CD1 LEU A 78 11.864 2.320 -12.652 1.00 21.42 C ATOM 1201 CD2 LEU A 78 11.190 0.518 -14.250 1.00 52.03 C ATOM 0 H LEU A 78 6.861 2.738 -12.759 1.00 61.23 H new ATOM 0 HA LEU A 78 8.948 3.429 -14.747 1.00 64.41 H new ATOM 0 HB2 LEU A 78 9.452 2.524 -12.269 1.00 40.00 H new ATOM 0 HB3 LEU A 78 9.097 0.983 -13.022 1.00 40.00 H new ATOM 0 HG LEU A 78 10.985 2.617 -14.572 1.00 14.14 H new ATOM 0 HD11 LEU A 78 12.881 2.259 -13.039 1.00 21.42 H new ATOM 0 HD12 LEU A 78 11.657 3.342 -12.334 1.00 21.42 H new ATOM 0 HD13 LEU A 78 11.759 1.647 -11.801 1.00 21.42 H new ATOM 0 HD21 LEU A 78 12.216 0.482 -14.616 1.00 52.03 H new ATOM 0 HD22 LEU A 78 11.068 -0.199 -13.438 1.00 52.03 H new ATOM 0 HD23 LEU A 78 10.507 0.267 -15.061 1.00 52.03 H new ATOM 1213 N THR A 79 8.618 1.128 -16.000 1.00 53.44 N ATOM 1214 CA THR A 79 8.145 0.135 -16.956 1.00 2.24 C ATOM 1215 C THR A 79 9.082 -1.066 -17.010 1.00 31.21 C ATOM 1216 O THR A 79 10.247 -0.975 -16.622 1.00 53.42 O ATOM 1217 CB THR A 79 8.016 0.735 -18.370 1.00 73.11 C ATOM 1218 OG1 THR A 79 8.920 1.834 -18.521 1.00 25.35 O ATOM 1219 CG2 THR A 79 6.592 1.202 -18.631 1.00 71.32 C ATOM 0 H THR A 79 9.603 1.374 -16.100 1.00 53.44 H new ATOM 0 HA THR A 79 7.162 -0.190 -16.615 1.00 2.24 H new ATOM 0 HB THR A 79 8.266 -0.041 -19.094 1.00 73.11 H new ATOM 0 HG1 THR A 79 8.833 2.208 -19.423 1.00 25.35 H new ATOM 0 HG21 THR A 79 6.525 1.622 -19.635 1.00 71.32 H new ATOM 0 HG22 THR A 79 5.910 0.356 -18.545 1.00 71.32 H new ATOM 0 HG23 THR A 79 6.319 1.963 -17.900 1.00 71.32 H new ATOM 1227 N VAL A 80 8.567 -2.191 -17.495 1.00 5.33 N ATOM 1228 CA VAL A 80 9.359 -3.412 -17.601 1.00 10.20 C ATOM 1229 C VAL A 80 10.618 -3.179 -18.428 1.00 63.11 C ATOM 1230 O VAL A 80 11.727 -3.474 -17.986 1.00 72.02 O ATOM 1231 CB VAL A 80 8.545 -4.555 -18.235 1.00 1.42 C ATOM 1232 CG1 VAL A 80 9.359 -5.840 -18.257 1.00 32.31 C ATOM 1233 CG2 VAL A 80 7.236 -4.756 -17.486 1.00 54.23 C ATOM 0 H VAL A 80 7.605 -2.283 -17.821 1.00 5.33 H new ATOM 0 HA VAL A 80 9.641 -3.696 -16.587 1.00 10.20 H new ATOM 0 HB VAL A 80 8.310 -4.284 -19.264 1.00 1.42 H new ATOM 0 HG11 VAL A 80 8.768 -6.637 -18.708 1.00 32.31 H new ATOM 0 HG12 VAL A 80 10.267 -5.686 -18.841 1.00 32.31 H new ATOM 0 HG13 VAL A 80 9.626 -6.119 -17.238 1.00 32.31 H new ATOM 0 HG21 VAL A 80 6.674 -5.568 -17.948 1.00 54.23 H new ATOM 0 HG22 VAL A 80 7.446 -5.006 -16.446 1.00 54.23 H new ATOM 0 HG23 VAL A 80 6.649 -3.839 -17.527 1.00 54.23 H new ATOM 1243 N GLY A 81 10.438 -2.647 -19.633 1.00 1.42 N ATOM 1244 CA GLY A 81 11.568 -2.383 -20.504 1.00 4.53 C ATOM 1245 C GLY A 81 12.611 -1.501 -19.849 1.00 72.43 C ATOM 1246 O GLY A 81 13.809 -1.665 -20.083 1.00 54.32 O ATOM 0 H GLY A 81 9.529 -2.394 -20.022 1.00 1.42 H new ATOM 0 HA2 GLY A 81 12.027 -3.328 -20.795 1.00 4.53 H new ATOM 0 HA3 GLY A 81 11.215 -1.905 -21.418 1.00 4.53 H new ATOM 1250 N ASP A 82 12.157 -0.561 -19.027 1.00 14.13 N ATOM 1251 CA ASP A 82 13.061 0.352 -18.336 1.00 21.43 C ATOM 1252 C ASP A 82 14.021 -0.415 -17.431 1.00 23.42 C ATOM 1253 O ASP A 82 15.233 -0.215 -17.485 1.00 72.21 O ATOM 1254 CB ASP A 82 12.264 1.366 -17.513 1.00 22.14 C ATOM 1255 CG ASP A 82 12.108 2.694 -18.227 1.00 13.02 C ATOM 1256 OD1 ASP A 82 11.817 2.686 -19.441 1.00 14.15 O ATOM 1257 OD2 ASP A 82 12.276 3.744 -17.570 1.00 41.32 O1- ATOM 0 H ASP A 82 11.169 -0.411 -18.823 1.00 14.13 H new ATOM 0 HA ASP A 82 13.645 0.884 -19.087 1.00 21.43 H new ATOM 0 HB2 ASP A 82 11.278 0.957 -17.293 1.00 22.14 H new ATOM 0 HB3 ASP A 82 12.763 1.527 -16.557 1.00 22.14 H new ATOM 1262 N ALA A 83 13.468 -1.293 -16.600 1.00 45.42 N ATOM 1263 CA ALA A 83 14.274 -2.089 -15.684 1.00 21.54 C ATOM 1264 C ALA A 83 15.067 -3.154 -16.435 1.00 74.42 C ATOM 1265 O ALA A 83 16.255 -3.356 -16.176 1.00 71.11 O ATOM 1266 CB ALA A 83 13.390 -2.734 -14.627 1.00 12.34 C ATOM 0 H ALA A 83 12.465 -1.470 -16.543 1.00 45.42 H new ATOM 0 HA ALA A 83 14.984 -1.424 -15.192 1.00 21.54 H new ATOM 0 HB1 ALA A 83 14.006 -3.326 -13.950 1.00 12.34 H new ATOM 0 HB2 ALA A 83 12.872 -1.958 -14.063 1.00 12.34 H new ATOM 0 HB3 ALA A 83 12.658 -3.381 -15.110 1.00 12.34 H new ATOM 1272 N LEU A 84 14.404 -3.832 -17.364 1.00 41.30 N ATOM 1273 CA LEU A 84 15.047 -4.878 -18.153 1.00 72.41 C ATOM 1274 C LEU A 84 16.328 -4.361 -18.801 1.00 23.24 C ATOM 1275 O LEU A 84 17.382 -4.989 -18.704 1.00 61.34 O ATOM 1276 CB LEU A 84 14.090 -5.394 -19.229 1.00 54.12 C ATOM 1277 CG LEU A 84 13.830 -6.901 -19.229 1.00 10.02 C ATOM 1278 CD1 LEU A 84 15.065 -7.655 -19.693 1.00 35.23 C ATOM 1279 CD2 LEU A 84 13.406 -7.368 -17.844 1.00 24.15 C ATOM 0 H LEU A 84 13.422 -3.677 -17.590 1.00 41.30 H new ATOM 0 HA LEU A 84 15.306 -5.698 -17.483 1.00 72.41 H new ATOM 0 HB2 LEU A 84 13.135 -4.881 -19.114 1.00 54.12 H new ATOM 0 HB3 LEU A 84 14.487 -5.114 -20.205 1.00 54.12 H new ATOM 0 HG LEU A 84 13.019 -7.111 -19.926 1.00 10.02 H new ATOM 0 HD11 LEU A 84 14.861 -8.726 -19.687 1.00 35.23 H new ATOM 0 HD12 LEU A 84 15.324 -7.341 -20.704 1.00 35.23 H new ATOM 0 HD13 LEU A 84 15.896 -7.440 -19.022 1.00 35.23 H new ATOM 0 HD21 LEU A 84 13.225 -8.443 -17.862 1.00 24.15 H new ATOM 0 HD22 LEU A 84 14.196 -7.145 -17.127 1.00 24.15 H new ATOM 0 HD23 LEU A 84 12.493 -6.851 -17.550 1.00 24.15 H new ATOM 1291 N LYS A 85 16.230 -3.211 -19.459 1.00 13.23 N ATOM 1292 CA LYS A 85 17.380 -2.607 -20.121 1.00 53.44 C ATOM 1293 C LYS A 85 18.562 -2.497 -19.163 1.00 73.11 C ATOM 1294 O LYS A 85 19.718 -2.537 -19.583 1.00 1.12 O ATOM 1295 CB LYS A 85 17.015 -1.222 -20.660 1.00 25.42 C ATOM 1296 CG LYS A 85 17.176 -1.093 -22.165 1.00 52.24 C ATOM 1297 CD LYS A 85 16.059 -1.807 -22.908 1.00 12.13 C ATOM 1298 CE LYS A 85 14.827 -0.924 -23.041 1.00 30.01 C ATOM 1299 NZ LYS A 85 15.044 0.191 -24.002 1.00 0.02 N1+ ATOM 0 H LYS A 85 15.365 -2.678 -19.548 1.00 13.23 H new ATOM 0 HA LYS A 85 17.668 -3.249 -20.953 1.00 53.44 H new ATOM 0 HB2 LYS A 85 15.982 -0.998 -20.393 1.00 25.42 H new ATOM 0 HB3 LYS A 85 17.640 -0.475 -20.171 1.00 25.42 H new ATOM 0 HG2 LYS A 85 17.183 -0.039 -22.442 1.00 52.24 H new ATOM 0 HG3 LYS A 85 18.138 -1.508 -22.466 1.00 52.24 H new ATOM 0 HD2 LYS A 85 16.408 -2.099 -23.899 1.00 12.13 H new ATOM 0 HD3 LYS A 85 15.796 -2.723 -22.380 1.00 12.13 H new ATOM 0 HE2 LYS A 85 13.982 -1.528 -23.371 1.00 30.01 H new ATOM 0 HE3 LYS A 85 14.566 -0.516 -22.065 1.00 30.01 H new ATOM 0 HZ1 LYS A 85 14.125 0.567 -24.311 1.00 0.02 H new ATOM 0 HZ2 LYS A 85 15.590 0.946 -23.540 1.00 0.02 H new ATOM 0 HZ3 LYS A 85 15.569 -0.160 -24.828 1.00 0.02 H new ATOM 1313 N GLN A 86 18.263 -2.358 -17.875 1.00 11.43 N ATOM 1314 CA GLN A 86 19.303 -2.243 -16.859 1.00 53.23 C ATOM 1315 C GLN A 86 19.667 -3.613 -16.295 1.00 21.22 C ATOM 1316 O GLN A 86 20.789 -3.829 -15.841 1.00 41.42 O ATOM 1317 CB GLN A 86 18.840 -1.320 -15.730 1.00 12.42 C ATOM 1318 CG GLN A 86 18.320 0.023 -16.216 1.00 73.05 C ATOM 1319 CD GLN A 86 18.176 1.033 -15.095 1.00 42.21 C ATOM 1320 OE1 GLN A 86 19.167 1.507 -14.539 1.00 72.11 O ATOM 1321 NE2 GLN A 86 16.936 1.370 -14.757 1.00 61.43 N ATOM 0 H GLN A 86 17.311 -2.322 -17.511 1.00 11.43 H new ATOM 0 HA GLN A 86 20.190 -1.817 -17.328 1.00 53.23 H new ATOM 0 HB2 GLN A 86 18.055 -1.820 -15.162 1.00 12.42 H new ATOM 0 HB3 GLN A 86 19.671 -1.152 -15.045 1.00 12.42 H new ATOM 0 HG2 GLN A 86 18.998 0.419 -16.972 1.00 73.05 H new ATOM 0 HG3 GLN A 86 17.353 -0.119 -16.698 1.00 73.05 H new ATOM 0 HE21 GLN A 86 16.143 0.952 -15.244 1.00 61.43 H new ATOM 0 HE22 GLN A 86 16.777 2.046 -14.010 1.00 61.43 H new ATOM 1330 N GLY A 87 18.709 -4.535 -16.327 1.00 0.43 N ATOM 1331 CA GLY A 87 18.949 -5.872 -15.816 1.00 2.32 C ATOM 1332 C GLY A 87 18.516 -6.026 -14.371 1.00 44.42 C ATOM 1333 O GLY A 87 19.232 -6.613 -13.559 1.00 32.22 O ATOM 0 H GLY A 87 17.771 -4.380 -16.698 1.00 0.43 H new ATOM 0 HA2 GLY A 87 18.413 -6.595 -16.432 1.00 2.32 H new ATOM 0 HA3 GLY A 87 20.010 -6.105 -15.901 1.00 2.32 H new ATOM 1337 N LYS A 88 17.341 -5.498 -14.048 1.00 21.33 N ATOM 1338 CA LYS A 88 16.812 -5.579 -12.692 1.00 11.34 C ATOM 1339 C LYS A 88 16.171 -6.940 -12.438 1.00 1.12 C ATOM 1340 O LYS A 88 16.216 -7.460 -11.322 1.00 61.44 O ATOM 1341 CB LYS A 88 15.785 -4.469 -12.455 1.00 75.34 C ATOM 1342 CG LYS A 88 16.328 -3.073 -12.715 1.00 24.51 C ATOM 1343 CD LYS A 88 16.947 -2.474 -11.464 1.00 73.13 C ATOM 1344 CE LYS A 88 18.448 -2.283 -11.621 1.00 11.13 C ATOM 1345 NZ LYS A 88 19.033 -1.524 -10.482 1.00 30.44 N1+ ATOM 0 H LYS A 88 16.736 -5.009 -14.708 1.00 21.33 H new ATOM 0 HA LYS A 88 17.643 -5.452 -11.998 1.00 11.34 H new ATOM 0 HB2 LYS A 88 14.922 -4.640 -13.099 1.00 75.34 H new ATOM 0 HB3 LYS A 88 15.431 -4.526 -11.426 1.00 75.34 H new ATOM 0 HG2 LYS A 88 17.075 -3.114 -13.508 1.00 24.51 H new ATOM 0 HG3 LYS A 88 15.523 -2.428 -13.068 1.00 24.51 H new ATOM 0 HD2 LYS A 88 16.478 -1.514 -11.248 1.00 73.13 H new ATOM 0 HD3 LYS A 88 16.749 -3.124 -10.612 1.00 73.13 H new ATOM 0 HE2 LYS A 88 18.932 -3.257 -11.695 1.00 11.13 H new ATOM 0 HE3 LYS A 88 18.651 -1.754 -12.552 1.00 11.13 H new ATOM 0 HZ1 LYS A 88 20.057 -1.415 -10.627 1.00 30.44 H new ATOM 0 HZ2 LYS A 88 18.589 -0.585 -10.426 1.00 30.44 H new ATOM 0 HZ3 LYS A 88 18.862 -2.041 -9.596 1.00 30.44 H new ATOM 1359 N ILE A 89 15.576 -7.513 -13.479 1.00 4.34 N ATOM 1360 CA ILE A 89 14.930 -8.814 -13.368 1.00 61.10 C ATOM 1361 C ILE A 89 15.858 -9.930 -13.834 1.00 40.34 C ATOM 1362 O ILE A 89 16.427 -9.864 -14.923 1.00 73.31 O ATOM 1363 CB ILE A 89 13.628 -8.867 -14.190 1.00 34.53 C ATOM 1364 CG1 ILE A 89 12.694 -7.727 -13.782 1.00 63.53 C ATOM 1365 CG2 ILE A 89 12.942 -10.213 -14.008 1.00 22.12 C ATOM 1366 CD1 ILE A 89 12.021 -7.047 -14.953 1.00 63.11 C ATOM 0 H ILE A 89 15.528 -7.096 -14.409 1.00 4.34 H new ATOM 0 HA ILE A 89 14.692 -8.960 -12.314 1.00 61.10 H new ATOM 0 HB ILE A 89 13.876 -8.747 -15.245 1.00 34.53 H new ATOM 0 HG12 ILE A 89 11.929 -8.118 -13.111 1.00 63.53 H new ATOM 0 HG13 ILE A 89 13.263 -6.986 -13.220 1.00 63.53 H new ATOM 0 HG21 ILE A 89 12.024 -10.236 -14.595 1.00 22.12 H new ATOM 0 HG22 ILE A 89 13.607 -11.009 -14.344 1.00 22.12 H new ATOM 0 HG23 ILE A 89 12.703 -10.360 -12.955 1.00 22.12 H new ATOM 0 HD11 ILE A 89 11.374 -6.249 -14.588 1.00 63.11 H new ATOM 0 HD12 ILE A 89 12.779 -6.626 -15.614 1.00 63.11 H new ATOM 0 HD13 ILE A 89 11.424 -7.775 -15.503 1.00 63.11 H new ATOM 1378 N GLU A 90 16.005 -10.957 -13.002 1.00 44.31 N ATOM 1379 CA GLU A 90 16.864 -12.088 -13.329 1.00 3.44 C ATOM 1380 C GLU A 90 16.064 -13.203 -13.998 1.00 63.21 C ATOM 1381 O GLU A 90 14.875 -13.377 -13.727 1.00 12.42 O ATOM 1382 CB GLU A 90 17.546 -12.621 -12.069 1.00 21.54 C ATOM 1383 CG GLU A 90 19.042 -12.356 -12.027 1.00 21.32 C ATOM 1384 CD GLU A 90 19.860 -13.631 -11.995 1.00 53.14 C ATOM 1385 OE1 GLU A 90 20.919 -13.674 -12.656 1.00 2.24 O ATOM 1386 OE2 GLU A 90 19.442 -14.588 -11.308 1.00 73.11 O1- ATOM 0 H GLU A 90 15.540 -11.028 -12.097 1.00 44.31 H new ATOM 0 HA GLU A 90 17.627 -11.742 -14.027 1.00 3.44 H new ATOM 0 HB2 GLU A 90 17.081 -12.167 -11.194 1.00 21.54 H new ATOM 0 HB3 GLU A 90 17.374 -13.695 -12.000 1.00 21.54 H new ATOM 0 HG2 GLU A 90 19.327 -11.768 -12.899 1.00 21.32 H new ATOM 0 HG3 GLU A 90 19.276 -11.756 -11.147 1.00 21.32 H new ATOM 1393 N LEU A 91 16.723 -13.953 -14.873 1.00 41.35 N ATOM 1394 CA LEU A 91 16.075 -15.052 -15.581 1.00 12.31 C ATOM 1395 C LEU A 91 16.650 -16.396 -15.146 1.00 71.23 C ATOM 1396 O LEU A 91 17.854 -16.630 -15.249 1.00 24.34 O ATOM 1397 CB LEU A 91 16.241 -14.879 -17.092 1.00 34.35 C ATOM 1398 CG LEU A 91 15.765 -13.547 -17.671 1.00 43.14 C ATOM 1399 CD1 LEU A 91 16.438 -13.274 -19.007 1.00 21.14 C ATOM 1400 CD2 LEU A 91 14.251 -13.541 -17.825 1.00 15.23 C ATOM 0 H LEU A 91 17.706 -13.821 -15.110 1.00 41.35 H new ATOM 0 HA LEU A 91 15.014 -15.035 -15.333 1.00 12.31 H new ATOM 0 HB2 LEU A 91 17.296 -15.003 -17.338 1.00 34.35 H new ATOM 0 HB3 LEU A 91 15.700 -15.683 -17.591 1.00 34.35 H new ATOM 0 HG LEU A 91 16.043 -12.753 -16.978 1.00 43.14 H new ATOM 0 HD11 LEU A 91 16.087 -12.321 -19.404 1.00 21.14 H new ATOM 0 HD12 LEU A 91 17.518 -13.233 -18.868 1.00 21.14 H new ATOM 0 HD13 LEU A 91 16.192 -14.072 -19.708 1.00 21.14 H new ATOM 0 HD21 LEU A 91 13.931 -12.585 -18.239 1.00 15.23 H new ATOM 0 HD22 LEU A 91 13.950 -14.345 -18.496 1.00 15.23 H new ATOM 0 HD23 LEU A 91 13.786 -13.689 -16.851 1.00 15.23 H new ATOM 1412 N SER A 92 15.781 -17.276 -14.659 1.00 62.30 N ATOM 1413 CA SER A 92 16.203 -18.597 -14.207 1.00 12.01 C ATOM 1414 C SER A 92 15.301 -19.683 -14.788 1.00 53.43 C ATOM 1415 O SER A 92 14.130 -19.793 -14.427 1.00 42.11 O ATOM 1416 CB SER A 92 16.182 -18.665 -12.679 1.00 32.04 C ATOM 1417 OG SER A 92 15.794 -17.423 -12.117 1.00 24.24 O ATOM 0 H SER A 92 14.781 -17.098 -14.567 1.00 62.30 H new ATOM 0 HA SER A 92 17.221 -18.768 -14.558 1.00 12.01 H new ATOM 0 HB2 SER A 92 15.492 -19.445 -12.356 1.00 32.04 H new ATOM 0 HB3 SER A 92 17.170 -18.941 -12.311 1.00 32.04 H new ATOM 0 HG SER A 92 14.861 -17.236 -12.350 1.00 24.24 H new ATOM 1423 N GLY A 93 15.859 -20.484 -15.690 1.00 72.14 N ATOM 1424 CA GLY A 93 15.093 -21.552 -16.307 1.00 41.14 C ATOM 1425 C GLY A 93 14.886 -21.333 -17.792 1.00 52.41 C ATOM 1426 O GLY A 93 15.640 -21.851 -18.616 1.00 72.03 O ATOM 0 H GLY A 93 16.827 -20.413 -16.005 1.00 72.14 H new ATOM 0 HA2 GLY A 93 15.607 -22.501 -16.151 1.00 41.14 H new ATOM 0 HA3 GLY A 93 14.123 -21.630 -15.816 1.00 41.14 H new ATOM 1430 N ASP A 94 13.859 -20.563 -18.138 1.00 50.01 N ATOM 1431 CA ASP A 94 13.553 -20.276 -19.534 1.00 42.00 C ATOM 1432 C ASP A 94 13.211 -18.802 -19.724 1.00 61.22 C ATOM 1433 O ASP A 94 12.075 -18.384 -19.506 1.00 24.31 O ATOM 1434 CB ASP A 94 12.391 -21.147 -20.013 1.00 44.20 C ATOM 1435 CG ASP A 94 12.743 -21.957 -21.245 1.00 62.13 C ATOM 1436 OD1 ASP A 94 12.919 -21.351 -22.323 1.00 22.23 O ATOM 1437 OD2 ASP A 94 12.844 -23.197 -21.132 1.00 42.01 O1- ATOM 0 H ASP A 94 13.224 -20.126 -17.469 1.00 50.01 H new ATOM 0 HA ASP A 94 14.438 -20.505 -20.128 1.00 42.00 H new ATOM 0 HB2 ASP A 94 12.093 -21.822 -19.211 1.00 44.20 H new ATOM 0 HB3 ASP A 94 11.532 -20.513 -20.232 1.00 44.20 H new ATOM 1442 N ALA A 95 14.204 -18.018 -20.131 1.00 52.22 N ATOM 1443 CA ALA A 95 14.010 -16.590 -20.351 1.00 61.03 C ATOM 1444 C ALA A 95 12.865 -16.336 -21.326 1.00 63.24 C ATOM 1445 O ALA A 95 12.188 -15.311 -21.251 1.00 24.01 O ATOM 1446 CB ALA A 95 15.293 -15.955 -20.865 1.00 22.22 C ATOM 0 H ALA A 95 15.151 -18.348 -20.315 1.00 52.22 H new ATOM 0 HA ALA A 95 13.749 -16.133 -19.396 1.00 61.03 H new ATOM 0 HB1 ALA A 95 15.133 -14.889 -21.025 1.00 22.22 H new ATOM 0 HB2 ALA A 95 16.088 -16.097 -20.133 1.00 22.22 H new ATOM 0 HB3 ALA A 95 15.579 -16.424 -21.807 1.00 22.22 H new ATOM 1452 N ASP A 96 12.653 -17.277 -22.241 1.00 31.21 N ATOM 1453 CA ASP A 96 11.590 -17.155 -23.231 1.00 63.04 C ATOM 1454 C ASP A 96 10.222 -17.107 -22.556 1.00 71.11 C ATOM 1455 O ASP A 96 9.404 -16.234 -22.849 1.00 42.54 O ATOM 1456 CB ASP A 96 11.646 -18.323 -24.217 1.00 13.52 C ATOM 1457 CG ASP A 96 11.122 -17.948 -25.589 1.00 14.13 C ATOM 1458 OD1 ASP A 96 9.890 -17.807 -25.737 1.00 42.02 O ATOM 1459 OD2 ASP A 96 11.945 -17.794 -26.516 1.00 51.14 O1- ATOM 0 H ASP A 96 13.204 -18.132 -22.317 1.00 31.21 H new ATOM 0 HA ASP A 96 11.739 -16.223 -23.776 1.00 63.04 H new ATOM 0 HB2 ASP A 96 12.675 -18.670 -24.307 1.00 13.52 H new ATOM 0 HB3 ASP A 96 11.062 -19.155 -23.823 1.00 13.52 H new ATOM 1464 N LEU A 97 9.980 -18.052 -21.654 1.00 21.24 N ATOM 1465 CA LEU A 97 8.712 -18.117 -20.938 1.00 53.03 C ATOM 1466 C LEU A 97 8.453 -16.828 -20.165 1.00 34.03 C ATOM 1467 O LEU A 97 7.367 -16.255 -20.238 1.00 22.40 O ATOM 1468 CB LEU A 97 8.706 -19.310 -19.979 1.00 23.04 C ATOM 1469 CG LEU A 97 7.785 -20.471 -20.358 1.00 32.22 C ATOM 1470 CD1 LEU A 97 8.070 -21.684 -19.485 1.00 33.50 C ATOM 1471 CD2 LEU A 97 6.326 -20.056 -20.236 1.00 13.34 C ATOM 0 H LEU A 97 10.645 -18.783 -21.402 1.00 21.24 H new ATOM 0 HA LEU A 97 7.916 -18.243 -21.672 1.00 53.03 H new ATOM 0 HB2 LEU A 97 9.724 -19.691 -19.899 1.00 23.04 H new ATOM 0 HB3 LEU A 97 8.420 -18.954 -18.989 1.00 23.04 H new ATOM 0 HG LEU A 97 7.980 -20.741 -21.396 1.00 32.22 H new ATOM 0 HD11 LEU A 97 7.406 -22.500 -19.768 1.00 33.50 H new ATOM 0 HD12 LEU A 97 9.106 -21.995 -19.621 1.00 33.50 H new ATOM 0 HD13 LEU A 97 7.903 -21.427 -18.439 1.00 33.50 H new ATOM 0 HD21 LEU A 97 5.685 -20.894 -20.509 1.00 13.34 H new ATOM 0 HD22 LEU A 97 6.117 -19.760 -19.208 1.00 13.34 H new ATOM 0 HD23 LEU A 97 6.130 -19.216 -20.903 1.00 13.34 H new ATOM 1483 N ALA A 98 9.462 -16.375 -19.426 1.00 51.02 N ATOM 1484 CA ALA A 98 9.345 -15.151 -18.643 1.00 72.21 C ATOM 1485 C ALA A 98 9.211 -13.932 -19.549 1.00 74.34 C ATOM 1486 O ALA A 98 8.497 -12.983 -19.225 1.00 70.15 O ATOM 1487 CB ALA A 98 10.547 -14.997 -17.723 1.00 43.44 C ATOM 0 H ALA A 98 10.368 -16.837 -19.354 1.00 51.02 H new ATOM 0 HA ALA A 98 8.443 -15.221 -18.036 1.00 72.21 H new ATOM 0 HB1 ALA A 98 10.447 -14.079 -17.144 1.00 43.44 H new ATOM 0 HB2 ALA A 98 10.598 -15.849 -17.046 1.00 43.44 H new ATOM 0 HB3 ALA A 98 11.458 -14.952 -18.319 1.00 43.44 H new ATOM 1493 N ALA A 99 9.902 -13.964 -20.684 1.00 41.25 N ATOM 1494 CA ALA A 99 9.857 -12.861 -21.636 1.00 41.24 C ATOM 1495 C ALA A 99 8.463 -12.709 -22.236 1.00 64.45 C ATOM 1496 O ALA A 99 7.946 -11.599 -22.358 1.00 63.22 O ATOM 1497 CB ALA A 99 10.887 -13.072 -22.736 1.00 14.33 C ATOM 0 H ALA A 99 10.499 -14.741 -20.966 1.00 41.25 H new ATOM 0 HA ALA A 99 10.095 -11.942 -21.101 1.00 41.24 H new ATOM 0 HB1 ALA A 99 10.843 -12.241 -23.440 1.00 14.33 H new ATOM 0 HB2 ALA A 99 11.883 -13.123 -22.297 1.00 14.33 H new ATOM 0 HB3 ALA A 99 10.674 -14.004 -23.260 1.00 14.33 H new ATOM 1503 N LYS A 100 7.859 -13.833 -22.609 1.00 1.23 N ATOM 1504 CA LYS A 100 6.524 -13.826 -23.196 1.00 72.44 C ATOM 1505 C LYS A 100 5.520 -13.166 -22.256 1.00 13.34 C ATOM 1506 O LYS A 100 4.572 -12.516 -22.700 1.00 61.21 O ATOM 1507 CB LYS A 100 6.078 -15.254 -23.514 1.00 31.43 C ATOM 1508 CG LYS A 100 4.731 -15.329 -24.213 1.00 4.53 C ATOM 1509 CD LYS A 100 4.890 -15.477 -25.716 1.00 22.41 C ATOM 1510 CE LYS A 100 3.548 -15.411 -26.429 1.00 35.11 C ATOM 1511 NZ LYS A 100 3.331 -16.588 -27.314 1.00 40.13 N1+ ATOM 0 H LYS A 100 8.273 -14.760 -22.515 1.00 1.23 H new ATOM 0 HA LYS A 100 6.563 -13.249 -24.120 1.00 72.44 H new ATOM 0 HB2 LYS A 100 6.831 -15.729 -24.142 1.00 31.43 H new ATOM 0 HB3 LYS A 100 6.029 -15.825 -22.587 1.00 31.43 H new ATOM 0 HG2 LYS A 100 4.164 -16.173 -23.821 1.00 4.53 H new ATOM 0 HG3 LYS A 100 4.156 -14.429 -23.994 1.00 4.53 H new ATOM 0 HD2 LYS A 100 5.542 -14.689 -26.093 1.00 22.41 H new ATOM 0 HD3 LYS A 100 5.375 -16.427 -25.940 1.00 22.41 H new ATOM 0 HE2 LYS A 100 2.747 -15.359 -25.691 1.00 35.11 H new ATOM 0 HE3 LYS A 100 3.496 -14.497 -27.021 1.00 35.11 H new ATOM 0 HZ1 LYS A 100 2.406 -16.505 -27.781 1.00 40.13 H new ATOM 0 HZ2 LYS A 100 4.081 -16.624 -28.034 1.00 40.13 H new ATOM 0 HZ3 LYS A 100 3.355 -17.459 -26.746 1.00 40.13 H new ATOM 1525 N LEU A 101 5.734 -13.333 -20.956 1.00 12.30 N ATOM 1526 CA LEU A 101 4.848 -12.753 -19.953 1.00 3.23 C ATOM 1527 C LEU A 101 4.768 -11.238 -20.112 1.00 62.45 C ATOM 1528 O LEU A 101 3.682 -10.676 -20.254 1.00 14.21 O ATOM 1529 CB LEU A 101 5.338 -13.104 -18.546 1.00 62.20 C ATOM 1530 CG LEU A 101 4.509 -14.140 -17.788 1.00 45.40 C ATOM 1531 CD1 LEU A 101 5.068 -14.350 -16.388 1.00 50.44 C ATOM 1532 CD2 LEU A 101 3.050 -13.711 -17.721 1.00 34.24 C ATOM 0 H LEU A 101 6.514 -13.866 -20.571 1.00 12.30 H new ATOM 0 HA LEU A 101 3.851 -13.170 -20.098 1.00 3.23 H new ATOM 0 HB2 LEU A 101 6.362 -13.470 -18.620 1.00 62.20 H new ATOM 0 HB3 LEU A 101 5.369 -12.189 -17.955 1.00 62.20 H new ATOM 0 HG LEU A 101 4.565 -15.086 -18.327 1.00 45.40 H new ATOM 0 HD11 LEU A 101 4.465 -15.091 -15.863 1.00 50.44 H new ATOM 0 HD12 LEU A 101 6.097 -14.702 -16.456 1.00 50.44 H new ATOM 0 HD13 LEU A 101 5.042 -13.408 -15.841 1.00 50.44 H new ATOM 0 HD21 LEU A 101 2.475 -14.461 -17.178 1.00 34.24 H new ATOM 0 HD22 LEU A 101 2.976 -12.753 -17.206 1.00 34.24 H new ATOM 0 HD23 LEU A 101 2.653 -13.611 -18.731 1.00 34.24 H new ATOM 1544 N ALA A 102 5.923 -10.582 -20.087 1.00 31.42 N ATOM 1545 CA ALA A 102 5.982 -9.133 -20.232 1.00 1.32 C ATOM 1546 C ALA A 102 5.183 -8.669 -21.445 1.00 62.44 C ATOM 1547 O ALA A 102 4.637 -7.567 -21.455 1.00 20.35 O ATOM 1548 CB ALA A 102 7.429 -8.672 -20.344 1.00 64.24 C ATOM 0 H ALA A 102 6.831 -11.031 -19.968 1.00 31.42 H new ATOM 0 HA ALA A 102 5.537 -8.686 -19.343 1.00 1.32 H new ATOM 0 HB1 ALA A 102 7.458 -7.588 -20.452 1.00 64.24 H new ATOM 0 HB2 ALA A 102 7.974 -8.962 -19.446 1.00 64.24 H new ATOM 0 HB3 ALA A 102 7.892 -9.136 -21.215 1.00 64.24 H new ATOM 1554 N GLU A 103 5.119 -9.518 -22.467 1.00 45.13 N ATOM 1555 CA GLU A 103 4.387 -9.193 -23.684 1.00 0.13 C ATOM 1556 C GLU A 103 2.956 -8.771 -23.363 1.00 54.13 C ATOM 1557 O GLU A 103 2.469 -7.755 -23.860 1.00 43.44 O ATOM 1558 CB GLU A 103 4.375 -10.393 -24.634 1.00 65.34 C ATOM 1559 CG GLU A 103 4.270 -10.007 -26.100 1.00 71.40 C ATOM 1560 CD GLU A 103 5.502 -10.394 -26.895 1.00 43.23 C ATOM 1561 OE1 GLU A 103 5.422 -11.365 -27.677 1.00 35.33 O ATOM 1562 OE2 GLU A 103 6.546 -9.727 -26.735 1.00 44.42 O1- ATOM 0 H GLU A 103 5.565 -10.435 -22.475 1.00 45.13 H new ATOM 0 HA GLU A 103 4.893 -8.359 -24.169 1.00 0.13 H new ATOM 0 HB2 GLU A 103 5.285 -10.974 -24.484 1.00 65.34 H new ATOM 0 HB3 GLU A 103 3.537 -11.041 -24.377 1.00 65.34 H new ATOM 0 HG2 GLU A 103 3.395 -10.488 -26.537 1.00 71.40 H new ATOM 0 HG3 GLU A 103 4.115 -8.931 -26.178 1.00 71.40 H new ATOM 1569 N VAL A 104 2.285 -9.560 -22.529 1.00 33.41 N ATOM 1570 CA VAL A 104 0.911 -9.269 -22.139 1.00 23.33 C ATOM 1571 C VAL A 104 0.828 -7.969 -21.347 1.00 20.50 C ATOM 1572 O VAL A 104 -0.239 -7.363 -21.241 1.00 4.15 O ATOM 1573 CB VAL A 104 0.312 -10.411 -21.296 1.00 33.51 C ATOM 1574 CG1 VAL A 104 0.809 -10.332 -19.860 1.00 74.10 C ATOM 1575 CG2 VAL A 104 -1.207 -10.369 -21.345 1.00 43.11 C ATOM 0 H VAL A 104 2.672 -10.406 -22.111 1.00 33.41 H new ATOM 0 HA VAL A 104 0.336 -9.167 -23.059 1.00 23.33 H new ATOM 0 HB VAL A 104 0.640 -11.361 -21.718 1.00 33.51 H new ATOM 0 HG11 VAL A 104 0.375 -11.146 -19.280 1.00 74.10 H new ATOM 0 HG12 VAL A 104 1.896 -10.415 -19.846 1.00 74.10 H new ATOM 0 HG13 VAL A 104 0.512 -9.378 -19.424 1.00 74.10 H new ATOM 0 HG21 VAL A 104 -1.613 -11.183 -20.744 1.00 43.11 H new ATOM 0 HG22 VAL A 104 -1.558 -9.416 -20.949 1.00 43.11 H new ATOM 0 HG23 VAL A 104 -1.541 -10.478 -22.377 1.00 43.11 H new ATOM 1585 N ILE A 105 1.959 -7.547 -20.793 1.00 64.50 N ATOM 1586 CA ILE A 105 2.013 -6.317 -20.012 1.00 64.45 C ATOM 1587 C ILE A 105 2.067 -5.092 -20.918 1.00 25.40 C ATOM 1588 O ILE A 105 1.399 -4.089 -20.665 1.00 74.01 O ATOM 1589 CB ILE A 105 3.234 -6.301 -19.073 1.00 25.25 C ATOM 1590 CG1 ILE A 105 3.302 -7.600 -18.267 1.00 71.41 C ATOM 1591 CG2 ILE A 105 3.171 -5.098 -18.144 1.00 10.31 C ATOM 1592 CD1 ILE A 105 4.441 -7.634 -17.271 1.00 20.20 C ATOM 0 H ILE A 105 2.850 -8.038 -20.870 1.00 64.50 H new ATOM 0 HA ILE A 105 1.103 -6.283 -19.413 1.00 64.45 H new ATOM 0 HB ILE A 105 4.138 -6.223 -19.677 1.00 25.25 H new ATOM 0 HG12 ILE A 105 2.361 -7.738 -17.735 1.00 71.41 H new ATOM 0 HG13 ILE A 105 3.406 -8.440 -18.954 1.00 71.41 H new ATOM 0 HG21 ILE A 105 4.040 -5.100 -17.486 1.00 10.31 H new ATOM 0 HG22 ILE A 105 3.165 -4.182 -18.735 1.00 10.31 H new ATOM 0 HG23 ILE A 105 2.262 -5.149 -17.544 1.00 10.31 H new ATOM 0 HD11 ILE A 105 4.428 -8.583 -16.736 1.00 20.20 H new ATOM 0 HD12 ILE A 105 5.389 -7.528 -17.799 1.00 20.20 H new ATOM 0 HD13 ILE A 105 4.328 -6.815 -16.560 1.00 20.20 H new