USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 588 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 THR OG1 : rot 39:sc= 1.18 USER MOD Set 1.2: A 29 SER OG : rot -170:sc= 1.17 USER MOD Single : A 1 ALA N :NH3+ -107:sc= 0.119 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0181) USER MOD Single : A 5 THR OG1 : rot -140:sc= -1.17 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot -43:sc= 0.858 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -144:sc= 1.18 (180deg=-0.721) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0548 USER MOD Single : A 46 MET CE :methyl -156:sc= -0.0692 (180deg=-0.405) USER MOD Single : A 47 ASN : amide:sc= -0.0836 X(o=-0.084,f=0) USER MOD Single : A 55 ASN : amide:sc= 0.416 X(o=0.42,f=-0.018) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.687 USER MOD Single : A 68 GLN : amide:sc= -4.73! K(o=-4.7!,f=-1.1) USER MOD Single : A 69 GLN : amide:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -7.428 -3.530 9.314 1.00 0.00 N ATOM 2 CA ALA A 1 -6.838 -4.332 8.250 1.00 71.14 C ATOM 3 C ALA A 1 -6.425 -5.708 8.765 1.00 11.44 C ATOM 4 O ALA A 1 -6.384 -5.944 9.973 1.00 4.33 O ATOM 5 CB ALA A 1 -5.641 -3.612 7.647 1.00 14.43 C ATOM 0 H1 ALA A 1 -8.455 -3.459 9.166 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.241 -3.980 10.233 1.00 0.00 H new ATOM 0 H3 ALA A 1 -7.010 -2.578 9.304 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.591 -4.473 7.475 1.00 71.14 H new ATOM 0 HB1 ALA A 1 -5.211 -4.223 6.854 1.00 14.43 H new ATOM 0 HB2 ALA A 1 -5.962 -2.655 7.235 1.00 14.43 H new ATOM 0 HB3 ALA A 1 -4.892 -3.441 8.420 1.00 14.43 H new ATOM 11 N LYS A 2 -6.120 -6.613 7.842 1.00 52.33 N ATOM 12 CA LYS A 2 -5.710 -7.965 8.201 1.00 42.14 C ATOM 13 C LYS A 2 -4.286 -8.244 7.731 1.00 42.23 C ATOM 14 O LYS A 2 -3.741 -7.517 6.900 1.00 55.22 O ATOM 15 CB LYS A 2 -6.668 -8.990 7.592 1.00 55.23 C ATOM 16 CG LYS A 2 -6.995 -8.727 6.132 1.00 14.34 C ATOM 17 CD LYS A 2 -8.298 -7.958 5.983 1.00 44.24 C ATOM 18 CE LYS A 2 -9.494 -8.895 5.926 1.00 71.24 C ATOM 19 NZ LYS A 2 -10.782 -8.149 5.869 1.00 43.31 N ATOM 0 H LYS A 2 -6.149 -6.434 6.838 1.00 52.33 H new ATOM 0 HA LYS A 2 -5.740 -8.050 9.287 1.00 42.14 H new ATOM 0 HB2 LYS A 2 -6.229 -9.984 7.684 1.00 55.23 H new ATOM 0 HB3 LYS A 2 -7.594 -8.996 8.167 1.00 55.23 H new ATOM 0 HG2 LYS A 2 -6.184 -8.163 5.672 1.00 14.34 H new ATOM 0 HG3 LYS A 2 -7.067 -9.674 5.598 1.00 14.34 H new ATOM 0 HD2 LYS A 2 -8.413 -7.270 6.820 1.00 44.24 H new ATOM 0 HD3 LYS A 2 -8.264 -7.354 5.076 1.00 44.24 H new ATOM 0 HE2 LYS A 2 -9.409 -9.540 5.051 1.00 71.24 H new ATOM 0 HE3 LYS A 2 -9.489 -9.544 6.802 1.00 71.24 H new ATOM 0 HZ1 LYS A 2 -11.573 -8.824 5.831 1.00 43.31 H new ATOM 0 HZ2 LYS A 2 -10.876 -7.553 6.716 1.00 43.31 H new ATOM 0 HZ3 LYS A 2 -10.798 -7.549 5.020 1.00 43.31 H new ATOM 33 N LYS A 3 -3.688 -9.302 8.267 1.00 65.32 N ATOM 34 CA LYS A 3 -2.327 -9.680 7.902 1.00 40.44 C ATOM 35 C LYS A 3 -2.256 -10.106 6.438 1.00 64.11 C ATOM 36 O LYS A 3 -1.217 -9.967 5.792 1.00 35.54 O ATOM 37 CB LYS A 3 -1.832 -10.816 8.799 1.00 75.12 C ATOM 38 CG LYS A 3 -2.749 -12.027 8.809 1.00 54.33 C ATOM 39 CD LYS A 3 -3.352 -12.260 10.184 1.00 50.20 C ATOM 40 CE LYS A 3 -2.455 -13.135 11.045 1.00 2.23 C ATOM 41 NZ LYS A 3 -1.567 -12.323 11.923 1.00 40.01 N ATOM 0 H LYS A 3 -4.124 -9.914 8.956 1.00 65.32 H new ATOM 0 HA LYS A 3 -1.685 -8.810 8.042 1.00 40.44 H new ATOM 0 HB2 LYS A 3 -0.841 -11.124 8.467 1.00 75.12 H new ATOM 0 HB3 LYS A 3 -1.725 -10.443 9.818 1.00 75.12 H new ATOM 0 HG2 LYS A 3 -3.547 -11.886 8.080 1.00 54.33 H new ATOM 0 HG3 LYS A 3 -2.189 -12.911 8.502 1.00 54.33 H new ATOM 0 HD2 LYS A 3 -3.512 -11.302 10.679 1.00 50.20 H new ATOM 0 HD3 LYS A 3 -4.329 -12.731 10.079 1.00 50.20 H new ATOM 0 HE2 LYS A 3 -3.070 -13.793 11.659 1.00 2.23 H new ATOM 0 HE3 LYS A 3 -1.847 -13.774 10.404 1.00 2.23 H new ATOM 0 HZ1 LYS A 3 -1.020 -12.954 12.542 1.00 40.01 H new ATOM 0 HZ2 LYS A 3 -0.916 -11.764 11.336 1.00 40.01 H new ATOM 0 HZ3 LYS A 3 -2.145 -11.683 12.505 1.00 40.01 H new ATOM 55 N GLU A 4 -3.366 -10.623 5.922 1.00 31.31 N ATOM 56 CA GLU A 4 -3.428 -11.068 4.535 1.00 14.12 C ATOM 57 C GLU A 4 -3.377 -9.879 3.580 1.00 74.35 C ATOM 58 O GLU A 4 -2.692 -9.918 2.557 1.00 23.52 O ATOM 59 CB GLU A 4 -4.703 -11.878 4.292 1.00 14.44 C ATOM 60 CG GLU A 4 -4.577 -13.343 4.675 1.00 4.33 C ATOM 61 CD GLU A 4 -5.651 -14.206 4.042 1.00 13.24 C ATOM 62 OE1 GLU A 4 -6.356 -13.708 3.140 1.00 41.41 O ATOM 63 OE2 GLU A 4 -5.785 -15.379 4.449 1.00 55.30 O ATOM 0 H GLU A 4 -4.234 -10.744 6.443 1.00 31.31 H new ATOM 0 HA GLU A 4 -2.562 -11.702 4.345 1.00 14.12 H new ATOM 0 HB2 GLU A 4 -5.520 -11.432 4.859 1.00 14.44 H new ATOM 0 HB3 GLU A 4 -4.972 -11.809 3.238 1.00 14.44 H new ATOM 0 HG2 GLU A 4 -3.596 -13.710 4.373 1.00 4.33 H new ATOM 0 HG3 GLU A 4 -4.633 -13.437 5.759 1.00 4.33 H new ATOM 70 N THR A 5 -4.108 -8.822 3.919 1.00 34.53 N ATOM 71 CA THR A 5 -4.149 -7.623 3.093 1.00 51.41 C ATOM 72 C THR A 5 -2.792 -6.931 3.061 1.00 24.12 C ATOM 73 O THR A 5 -2.301 -6.554 1.996 1.00 20.10 O ATOM 74 CB THR A 5 -5.209 -6.627 3.600 1.00 13.41 C ATOM 75 OG1 THR A 5 -6.505 -7.234 3.572 1.00 72.03 O ATOM 76 CG2 THR A 5 -5.216 -5.365 2.750 1.00 10.02 C ATOM 0 H THR A 5 -4.681 -8.773 4.762 1.00 34.53 H new ATOM 0 HA THR A 5 -4.415 -7.943 2.085 1.00 51.41 H new ATOM 0 HB THR A 5 -4.958 -6.354 4.625 1.00 13.41 H new ATOM 0 HG1 THR A 5 -7.166 -6.579 3.266 1.00 72.03 H new ATOM 0 HG21 THR A 5 -5.972 -4.677 3.127 1.00 10.02 H new ATOM 0 HG22 THR A 5 -4.237 -4.889 2.797 1.00 10.02 H new ATOM 0 HG23 THR A 5 -5.444 -5.624 1.716 1.00 10.02 H new ATOM 84 N ILE A 6 -2.188 -6.767 4.234 1.00 35.02 N ATOM 85 CA ILE A 6 -0.886 -6.121 4.339 1.00 31.10 C ATOM 86 C ILE A 6 0.134 -6.790 3.423 1.00 23.53 C ATOM 87 O ILE A 6 0.978 -6.122 2.825 1.00 0.51 O ATOM 88 CB ILE A 6 -0.358 -6.151 5.786 1.00 61.32 C ATOM 89 CG1 ILE A 6 -1.345 -5.456 6.726 1.00 73.03 C ATOM 90 CG2 ILE A 6 1.010 -5.491 5.864 1.00 63.55 C ATOM 91 CD1 ILE A 6 -1.145 -5.812 8.183 1.00 40.12 C ATOM 0 H ILE A 6 -2.580 -7.073 5.125 1.00 35.02 H new ATOM 0 HA ILE A 6 -1.022 -5.084 4.032 1.00 31.10 H new ATOM 0 HB ILE A 6 -0.257 -7.190 6.099 1.00 61.32 H new ATOM 0 HG12 ILE A 6 -1.249 -4.377 6.608 1.00 73.03 H new ATOM 0 HG13 ILE A 6 -2.361 -5.719 6.432 1.00 73.03 H new ATOM 0 HG21 ILE A 6 1.370 -5.520 6.892 1.00 63.55 H new ATOM 0 HG22 ILE A 6 1.709 -6.025 5.220 1.00 63.55 H new ATOM 0 HG23 ILE A 6 0.933 -4.455 5.536 1.00 63.55 H new ATOM 0 HD11 ILE A 6 -1.879 -5.283 8.791 1.00 40.12 H new ATOM 0 HD12 ILE A 6 -1.271 -6.887 8.316 1.00 40.12 H new ATOM 0 HD13 ILE A 6 -0.141 -5.523 8.494 1.00 40.12 H new ATOM 103 N ASP A 7 0.050 -8.112 3.319 1.00 4.11 N ATOM 104 CA ASP A 7 0.964 -8.871 2.474 1.00 11.02 C ATOM 105 C ASP A 7 0.773 -8.510 1.004 1.00 33.11 C ATOM 106 O ASP A 7 1.741 -8.355 0.260 1.00 11.44 O ATOM 107 CB ASP A 7 0.751 -10.372 2.675 1.00 34.43 C ATOM 108 CG ASP A 7 1.857 -11.202 2.055 1.00 41.52 C ATOM 109 OD1 ASP A 7 1.730 -11.569 0.867 1.00 3.11 O ATOM 110 OD2 ASP A 7 2.851 -11.485 2.756 1.00 75.44 O ATOM 0 H ASP A 7 -0.641 -8.680 3.809 1.00 4.11 H new ATOM 0 HA ASP A 7 1.983 -8.615 2.763 1.00 11.02 H new ATOM 0 HB2 ASP A 7 0.693 -10.588 3.742 1.00 34.43 H new ATOM 0 HB3 ASP A 7 -0.205 -10.662 2.239 1.00 34.43 H new ATOM 115 N LYS A 8 -0.484 -8.380 0.591 1.00 3.10 N ATOM 116 CA LYS A 8 -0.805 -8.037 -0.789 1.00 1.31 C ATOM 117 C LYS A 8 -0.194 -6.693 -1.172 1.00 14.20 C ATOM 118 O LYS A 8 0.541 -6.590 -2.155 1.00 31.21 O ATOM 119 CB LYS A 8 -2.322 -7.995 -0.986 1.00 44.34 C ATOM 120 CG LYS A 8 -3.043 -9.200 -0.409 1.00 50.44 C ATOM 121 CD LYS A 8 -4.231 -9.603 -1.268 1.00 42.41 C ATOM 122 CE LYS A 8 -3.784 -10.295 -2.547 1.00 51.54 C ATOM 123 NZ LYS A 8 -3.565 -11.754 -2.342 1.00 14.34 N ATOM 0 H LYS A 8 -1.297 -8.507 1.193 1.00 3.10 H new ATOM 0 HA LYS A 8 -0.382 -8.806 -1.436 1.00 1.31 H new ATOM 0 HB2 LYS A 8 -2.715 -7.090 -0.522 1.00 44.34 H new ATOM 0 HB3 LYS A 8 -2.540 -7.928 -2.052 1.00 44.34 H new ATOM 0 HG2 LYS A 8 -2.349 -10.037 -0.330 1.00 50.44 H new ATOM 0 HG3 LYS A 8 -3.384 -8.972 0.601 1.00 50.44 H new ATOM 0 HD2 LYS A 8 -4.882 -10.269 -0.701 1.00 42.41 H new ATOM 0 HD3 LYS A 8 -4.818 -8.719 -1.517 1.00 42.41 H new ATOM 0 HE2 LYS A 8 -4.536 -10.146 -3.322 1.00 51.54 H new ATOM 0 HE3 LYS A 8 -2.862 -9.836 -2.905 1.00 51.54 H new ATOM 0 HZ1 LYS A 8 -3.261 -12.189 -3.237 1.00 14.34 H new ATOM 0 HZ2 LYS A 8 -2.829 -11.897 -1.621 1.00 14.34 H new ATOM 0 HZ3 LYS A 8 -4.451 -12.197 -2.025 1.00 14.34 H new ATOM 137 N VAL A 9 -0.502 -5.663 -0.390 1.00 73.33 N ATOM 138 CA VAL A 9 0.019 -4.326 -0.645 1.00 54.41 C ATOM 139 C VAL A 9 1.542 -4.310 -0.598 1.00 74.44 C ATOM 140 O VAL A 9 2.197 -3.809 -1.511 1.00 11.33 O ATOM 141 CB VAL A 9 -0.527 -3.307 0.374 1.00 43.11 C ATOM 142 CG1 VAL A 9 -0.107 -1.895 -0.006 1.00 23.45 C ATOM 143 CG2 VAL A 9 -2.041 -3.413 0.475 1.00 63.30 C ATOM 0 H VAL A 9 -1.110 -5.730 0.426 1.00 73.33 H new ATOM 0 HA VAL A 9 -0.312 -4.043 -1.644 1.00 54.41 H new ATOM 0 HB VAL A 9 -0.104 -3.535 1.352 1.00 43.11 H new ATOM 0 HG11 VAL A 9 -0.502 -1.189 0.725 1.00 23.45 H new ATOM 0 HG12 VAL A 9 0.981 -1.831 -0.022 1.00 23.45 H new ATOM 0 HG13 VAL A 9 -0.499 -1.652 -0.994 1.00 23.45 H new ATOM 0 HG21 VAL A 9 -2.409 -2.686 1.199 1.00 63.30 H new ATOM 0 HG22 VAL A 9 -2.486 -3.212 -0.500 1.00 63.30 H new ATOM 0 HG23 VAL A 9 -2.315 -4.417 0.798 1.00 63.30 H new ATOM 153 N SER A 10 2.101 -4.864 0.474 1.00 52.02 N ATOM 154 CA SER A 10 3.548 -4.913 0.643 1.00 1.44 C ATOM 155 C SER A 10 4.218 -5.531 -0.581 1.00 33.13 C ATOM 156 O SER A 10 5.291 -5.097 -1.001 1.00 23.00 O ATOM 157 CB SER A 10 3.910 -5.712 1.895 1.00 22.21 C ATOM 158 OG SER A 10 3.785 -7.105 1.665 1.00 64.41 O ATOM 0 H SER A 10 1.573 -5.285 1.238 1.00 52.02 H new ATOM 0 HA SER A 10 3.910 -3.891 0.756 1.00 1.44 H new ATOM 0 HB2 SER A 10 4.932 -5.480 2.195 1.00 22.21 H new ATOM 0 HB3 SER A 10 3.261 -5.417 2.719 1.00 22.21 H new ATOM 0 HG SER A 10 2.957 -7.282 1.172 1.00 64.41 H new ATOM 164 N ASP A 11 3.576 -6.546 -1.149 1.00 32.33 N ATOM 165 CA ASP A 11 4.108 -7.225 -2.325 1.00 22.23 C ATOM 166 C ASP A 11 4.154 -6.281 -3.522 1.00 73.44 C ATOM 167 O ASP A 11 5.152 -6.221 -4.240 1.00 22.34 O ATOM 168 CB ASP A 11 3.259 -8.452 -2.659 1.00 70.32 C ATOM 169 CG ASP A 11 4.092 -9.611 -3.170 1.00 3.32 C ATOM 170 OD1 ASP A 11 5.140 -9.903 -2.558 1.00 61.52 O ATOM 171 OD2 ASP A 11 3.697 -10.225 -4.184 1.00 12.44 O ATOM 0 H ASP A 11 2.687 -6.917 -0.814 1.00 32.33 H new ATOM 0 HA ASP A 11 5.125 -7.547 -2.100 1.00 22.23 H new ATOM 0 HB2 ASP A 11 2.713 -8.765 -1.769 1.00 70.32 H new ATOM 0 HB3 ASP A 11 2.517 -8.183 -3.410 1.00 70.32 H new ATOM 176 N ILE A 12 3.065 -5.549 -3.733 1.00 5.53 N ATOM 177 CA ILE A 12 2.982 -4.608 -4.843 1.00 53.42 C ATOM 178 C ILE A 12 3.934 -3.433 -4.643 1.00 32.22 C ATOM 179 O ILE A 12 4.549 -2.949 -5.592 1.00 13.40 O ATOM 180 CB ILE A 12 1.550 -4.070 -5.019 1.00 14.55 C ATOM 181 CG1 ILE A 12 0.577 -5.221 -5.276 1.00 75.51 C ATOM 182 CG2 ILE A 12 1.498 -3.061 -6.158 1.00 22.41 C ATOM 183 CD1 ILE A 12 -0.739 -5.076 -4.543 1.00 72.52 C ATOM 0 H ILE A 12 2.229 -5.590 -3.150 1.00 5.53 H new ATOM 0 HA ILE A 12 3.269 -5.155 -5.741 1.00 53.42 H new ATOM 0 HB ILE A 12 1.253 -3.566 -4.099 1.00 14.55 H new ATOM 0 HG12 ILE A 12 0.382 -5.289 -6.346 1.00 75.51 H new ATOM 0 HG13 ILE A 12 1.048 -6.158 -4.978 1.00 75.51 H new ATOM 0 HG21 ILE A 12 0.479 -2.690 -6.269 1.00 22.41 H new ATOM 0 HG22 ILE A 12 2.165 -2.228 -5.937 1.00 22.41 H new ATOM 0 HG23 ILE A 12 1.813 -3.542 -7.084 1.00 22.41 H new ATOM 0 HD11 ILE A 12 -1.379 -5.928 -4.772 1.00 72.52 H new ATOM 0 HD12 ILE A 12 -0.555 -5.039 -3.469 1.00 72.52 H new ATOM 0 HD13 ILE A 12 -1.232 -4.157 -4.859 1.00 72.52 H new ATOM 195 N VAL A 13 4.052 -2.980 -3.398 1.00 71.53 N ATOM 196 CA VAL A 13 4.931 -1.865 -3.071 1.00 60.31 C ATOM 197 C VAL A 13 6.396 -2.267 -3.187 1.00 21.52 C ATOM 198 O VAL A 13 7.156 -1.673 -3.951 1.00 5.34 O ATOM 199 CB VAL A 13 4.666 -1.341 -1.647 1.00 33.13 C ATOM 200 CG1 VAL A 13 5.488 -0.090 -1.377 1.00 32.31 C ATOM 201 CG2 VAL A 13 3.183 -1.066 -1.448 1.00 54.24 C ATOM 0 H VAL A 13 3.549 -3.369 -2.600 1.00 71.53 H new ATOM 0 HA VAL A 13 4.717 -1.073 -3.788 1.00 60.31 H new ATOM 0 HB VAL A 13 4.969 -2.108 -0.934 1.00 33.13 H new ATOM 0 HG11 VAL A 13 5.288 0.266 -0.366 1.00 32.31 H new ATOM 0 HG12 VAL A 13 6.548 -0.323 -1.476 1.00 32.31 H new ATOM 0 HG13 VAL A 13 5.218 0.685 -2.095 1.00 32.31 H new ATOM 0 HG21 VAL A 13 3.014 -0.697 -0.437 1.00 54.24 H new ATOM 0 HG22 VAL A 13 2.852 -0.317 -2.168 1.00 54.24 H new ATOM 0 HG23 VAL A 13 2.619 -1.987 -1.597 1.00 54.24 H new ATOM 211 N LYS A 14 6.787 -3.283 -2.425 1.00 64.32 N ATOM 212 CA LYS A 14 8.162 -3.769 -2.443 1.00 23.23 C ATOM 213 C LYS A 14 8.600 -4.111 -3.863 1.00 21.41 C ATOM 214 O LYS A 14 9.772 -3.969 -4.211 1.00 43.24 O ATOM 215 CB LYS A 14 8.303 -4.999 -1.544 1.00 54.01 C ATOM 216 CG LYS A 14 7.693 -6.257 -2.137 1.00 71.51 C ATOM 217 CD LYS A 14 7.501 -7.335 -1.082 1.00 14.51 C ATOM 218 CE LYS A 14 8.828 -7.761 -0.472 1.00 53.23 C ATOM 219 NZ LYS A 14 8.735 -9.097 0.178 1.00 22.04 N ATOM 0 H LYS A 14 6.171 -3.786 -1.787 1.00 64.32 H new ATOM 0 HA LYS A 14 8.806 -2.975 -2.064 1.00 23.23 H new ATOM 0 HB2 LYS A 14 9.360 -5.176 -1.347 1.00 54.01 H new ATOM 0 HB3 LYS A 14 7.830 -4.793 -0.584 1.00 54.01 H new ATOM 0 HG2 LYS A 14 6.732 -6.017 -2.592 1.00 71.51 H new ATOM 0 HG3 LYS A 14 8.336 -6.635 -2.932 1.00 71.51 H new ATOM 0 HD2 LYS A 14 6.841 -6.964 -0.298 1.00 14.51 H new ATOM 0 HD3 LYS A 14 7.011 -8.200 -1.529 1.00 14.51 H new ATOM 0 HE2 LYS A 14 9.593 -7.787 -1.248 1.00 53.23 H new ATOM 0 HE3 LYS A 14 9.144 -7.021 0.263 1.00 53.23 H new ATOM 0 HZ1 LYS A 14 9.659 -9.352 0.582 1.00 22.04 H new ATOM 0 HZ2 LYS A 14 8.023 -9.066 0.936 1.00 22.04 H new ATOM 0 HZ3 LYS A 14 8.458 -9.808 -0.528 1.00 22.04 H new ATOM 233 N GLU A 15 7.651 -4.561 -4.677 1.00 54.52 N ATOM 234 CA GLU A 15 7.940 -4.922 -6.061 1.00 22.34 C ATOM 235 C GLU A 15 8.277 -3.685 -6.887 1.00 52.41 C ATOM 236 O GLU A 15 9.032 -3.758 -7.856 1.00 54.45 O ATOM 237 CB GLU A 15 6.748 -5.654 -6.680 1.00 31.11 C ATOM 238 CG GLU A 15 6.994 -6.124 -8.103 1.00 3.33 C ATOM 239 CD GLU A 15 5.709 -6.421 -8.851 1.00 72.24 C ATOM 240 OE1 GLU A 15 4.919 -5.480 -9.071 1.00 52.14 O ATOM 241 OE2 GLU A 15 5.493 -7.596 -9.215 1.00 43.34 O ATOM 0 H GLU A 15 6.676 -4.684 -4.403 1.00 54.52 H new ATOM 0 HA GLU A 15 8.805 -5.585 -6.064 1.00 22.34 H new ATOM 0 HB2 GLU A 15 6.500 -6.515 -6.060 1.00 31.11 H new ATOM 0 HB3 GLU A 15 5.881 -4.993 -6.669 1.00 31.11 H new ATOM 0 HG2 GLU A 15 7.555 -5.360 -8.642 1.00 3.33 H new ATOM 0 HG3 GLU A 15 7.614 -7.020 -8.083 1.00 3.33 H new ATOM 248 N LYS A 16 7.710 -2.548 -6.497 1.00 51.41 N ATOM 249 CA LYS A 16 7.949 -1.292 -7.201 1.00 72.22 C ATOM 250 C LYS A 16 9.256 -0.654 -6.744 1.00 32.24 C ATOM 251 O LYS A 16 9.851 0.149 -7.465 1.00 22.14 O ATOM 252 CB LYS A 16 6.786 -0.325 -6.967 1.00 3.23 C ATOM 253 CG LYS A 16 5.461 -0.820 -7.520 1.00 63.10 C ATOM 254 CD LYS A 16 5.286 -0.433 -8.979 1.00 14.41 C ATOM 255 CE LYS A 16 5.085 1.066 -9.138 1.00 31.53 C ATOM 256 NZ LYS A 16 4.501 1.410 -10.463 1.00 2.44 N ATOM 0 H LYS A 16 7.082 -2.470 -5.697 1.00 51.41 H new ATOM 0 HA LYS A 16 8.025 -1.508 -8.267 1.00 72.22 H new ATOM 0 HB2 LYS A 16 6.680 -0.150 -5.896 1.00 3.23 H new ATOM 0 HB3 LYS A 16 7.025 0.635 -7.425 1.00 3.23 H new ATOM 0 HG2 LYS A 16 5.407 -1.904 -7.421 1.00 63.10 H new ATOM 0 HG3 LYS A 16 4.642 -0.405 -6.932 1.00 63.10 H new ATOM 0 HD2 LYS A 16 6.162 -0.746 -9.547 1.00 14.41 H new ATOM 0 HD3 LYS A 16 4.430 -0.962 -9.397 1.00 14.41 H new ATOM 0 HE2 LYS A 16 4.430 1.430 -8.347 1.00 31.53 H new ATOM 0 HE3 LYS A 16 6.041 1.575 -9.020 1.00 31.53 H new ATOM 0 HZ1 LYS A 16 4.907 2.307 -10.799 1.00 2.44 H new ATOM 0 HZ2 LYS A 16 4.718 0.655 -11.145 1.00 2.44 H new ATOM 0 HZ3 LYS A 16 3.470 1.509 -10.373 1.00 2.44 H new ATOM 270 N LEU A 17 9.698 -1.015 -5.545 1.00 62.10 N ATOM 271 CA LEU A 17 10.937 -0.478 -4.993 1.00 2.15 C ATOM 272 C LEU A 17 12.094 -1.450 -5.202 1.00 63.13 C ATOM 273 O LEU A 17 13.257 -1.096 -5.014 1.00 23.50 O ATOM 274 CB LEU A 17 10.768 -0.182 -3.502 1.00 30.20 C ATOM 275 CG LEU A 17 9.620 0.757 -3.130 1.00 61.51 C ATOM 276 CD1 LEU A 17 9.648 1.070 -1.641 1.00 72.01 C ATOM 277 CD2 LEU A 17 9.693 2.039 -3.947 1.00 62.42 C ATOM 0 H LEU A 17 9.217 -1.677 -4.936 1.00 62.10 H new ATOM 0 HA LEU A 17 11.167 0.449 -5.518 1.00 2.15 H new ATOM 0 HB2 LEU A 17 10.622 -1.127 -2.979 1.00 30.20 H new ATOM 0 HB3 LEU A 17 11.698 0.248 -3.130 1.00 30.20 H new ATOM 0 HG LEU A 17 8.679 0.257 -3.358 1.00 61.51 H new ATOM 0 HD11 LEU A 17 8.824 1.739 -1.394 1.00 72.01 H new ATOM 0 HD12 LEU A 17 9.547 0.145 -1.073 1.00 72.01 H new ATOM 0 HD13 LEU A 17 10.593 1.550 -1.388 1.00 72.01 H new ATOM 0 HD21 LEU A 17 8.868 2.695 -3.669 1.00 62.42 H new ATOM 0 HD22 LEU A 17 10.640 2.542 -3.750 1.00 62.42 H new ATOM 0 HD23 LEU A 17 9.624 1.799 -5.008 1.00 62.42 H new ATOM 289 N ALA A 18 11.765 -2.676 -5.595 1.00 64.34 N ATOM 290 CA ALA A 18 12.776 -3.699 -5.834 1.00 41.30 C ATOM 291 C ALA A 18 12.153 -4.962 -6.419 1.00 14.23 C ATOM 292 O ALA A 18 10.942 -5.023 -6.642 1.00 32.51 O ATOM 293 CB ALA A 18 13.516 -4.021 -4.545 1.00 63.33 C ATOM 0 H ALA A 18 10.806 -2.985 -5.755 1.00 64.34 H new ATOM 0 HA ALA A 18 13.488 -3.308 -6.561 1.00 41.30 H new ATOM 0 HB1 ALA A 18 14.268 -4.786 -4.738 1.00 63.33 H new ATOM 0 HB2 ALA A 18 14.003 -3.121 -4.170 1.00 63.33 H new ATOM 0 HB3 ALA A 18 12.809 -4.387 -3.801 1.00 63.33 H new ATOM 299 N LEU A 19 12.985 -5.967 -6.667 1.00 41.02 N ATOM 300 CA LEU A 19 12.514 -7.229 -7.227 1.00 44.41 C ATOM 301 C LEU A 19 11.725 -8.024 -6.192 1.00 14.32 C ATOM 302 O LEU A 19 10.918 -8.885 -6.539 1.00 60.03 O ATOM 303 CB LEU A 19 13.697 -8.058 -7.729 1.00 71.24 C ATOM 304 CG LEU A 19 14.586 -7.393 -8.780 1.00 1.44 C ATOM 305 CD1 LEU A 19 15.964 -8.035 -8.799 1.00 71.40 C ATOM 306 CD2 LEU A 19 13.939 -7.475 -10.155 1.00 12.34 C ATOM 0 H LEU A 19 13.989 -5.933 -6.489 1.00 41.02 H new ATOM 0 HA LEU A 19 11.854 -7.003 -8.064 1.00 44.41 H new ATOM 0 HB2 LEU A 19 14.318 -8.324 -6.873 1.00 71.24 H new ATOM 0 HB3 LEU A 19 13.312 -8.989 -8.145 1.00 71.24 H new ATOM 0 HG LEU A 19 14.702 -6.342 -8.516 1.00 1.44 H new ATOM 0 HD11 LEU A 19 16.582 -7.548 -9.553 1.00 71.40 H new ATOM 0 HD12 LEU A 19 16.431 -7.924 -7.820 1.00 71.40 H new ATOM 0 HD13 LEU A 19 15.869 -9.094 -9.037 1.00 71.40 H new ATOM 0 HD21 LEU A 19 14.586 -6.997 -10.891 1.00 12.34 H new ATOM 0 HD22 LEU A 19 13.792 -8.520 -10.426 1.00 12.34 H new ATOM 0 HD23 LEU A 19 12.975 -6.967 -10.134 1.00 12.34 H new ATOM 318 N GLY A 20 11.961 -7.725 -4.918 1.00 24.41 N ATOM 319 CA GLY A 20 11.263 -8.419 -3.852 1.00 74.22 C ATOM 320 C GLY A 20 11.980 -9.682 -3.415 1.00 32.13 C ATOM 321 O GLY A 20 11.443 -10.471 -2.638 1.00 14.10 O ATOM 0 H GLY A 20 12.623 -7.015 -4.606 1.00 24.41 H new ATOM 0 HA2 GLY A 20 11.156 -7.751 -2.997 1.00 74.22 H new ATOM 0 HA3 GLY A 20 10.257 -8.673 -4.186 1.00 74.22 H new ATOM 325 N ALA A 21 13.195 -9.874 -3.916 1.00 14.22 N ATOM 326 CA ALA A 21 13.986 -11.050 -3.573 1.00 22.13 C ATOM 327 C ALA A 21 14.845 -10.792 -2.340 1.00 22.34 C ATOM 328 O ALA A 21 14.782 -11.535 -1.360 1.00 51.02 O ATOM 329 CB ALA A 21 14.858 -11.461 -4.749 1.00 63.44 C ATOM 0 H ALA A 21 13.654 -9.231 -4.561 1.00 14.22 H new ATOM 0 HA ALA A 21 13.300 -11.865 -3.342 1.00 22.13 H new ATOM 0 HB1 ALA A 21 15.443 -12.340 -4.479 1.00 63.44 H new ATOM 0 HB2 ALA A 21 14.226 -11.695 -5.606 1.00 63.44 H new ATOM 0 HB3 ALA A 21 15.531 -10.643 -5.007 1.00 63.44 H new ATOM 335 N ASP A 22 15.648 -9.735 -2.395 1.00 34.24 N ATOM 336 CA ASP A 22 16.520 -9.378 -1.281 1.00 63.24 C ATOM 337 C ASP A 22 15.954 -8.194 -0.505 1.00 32.40 C ATOM 338 O ASP A 22 16.645 -7.588 0.314 1.00 20.23 O ATOM 339 CB ASP A 22 17.923 -9.045 -1.791 1.00 64.14 C ATOM 340 CG ASP A 22 18.572 -10.214 -2.507 1.00 14.21 C ATOM 341 OD1 ASP A 22 18.205 -10.475 -3.672 1.00 13.05 O ATOM 342 OD2 ASP A 22 19.447 -10.868 -1.903 1.00 72.31 O ATOM 0 H ASP A 22 15.713 -9.110 -3.199 1.00 34.24 H new ATOM 0 HA ASP A 22 16.579 -10.234 -0.609 1.00 63.24 H new ATOM 0 HB2 ASP A 22 17.867 -8.193 -2.469 1.00 64.14 H new ATOM 0 HB3 ASP A 22 18.550 -8.744 -0.951 1.00 64.14 H new ATOM 347 N VAL A 23 14.692 -7.869 -0.768 1.00 21.33 N ATOM 348 CA VAL A 23 14.033 -6.758 -0.094 1.00 11.33 C ATOM 349 C VAL A 23 12.797 -7.229 0.664 1.00 33.53 C ATOM 350 O VAL A 23 11.922 -7.885 0.099 1.00 32.52 O ATOM 351 CB VAL A 23 13.620 -5.660 -1.093 1.00 20.01 C ATOM 352 CG1 VAL A 23 12.918 -4.518 -0.373 1.00 63.31 C ATOM 353 CG2 VAL A 23 14.833 -5.153 -1.857 1.00 44.22 C ATOM 0 H VAL A 23 14.106 -8.360 -1.443 1.00 21.33 H new ATOM 0 HA VAL A 23 14.754 -6.345 0.612 1.00 11.33 H new ATOM 0 HB VAL A 23 12.920 -6.090 -1.810 1.00 20.01 H new ATOM 0 HG11 VAL A 23 12.634 -3.752 -1.095 1.00 63.31 H new ATOM 0 HG12 VAL A 23 12.025 -4.896 0.125 1.00 63.31 H new ATOM 0 HG13 VAL A 23 13.591 -4.086 0.368 1.00 63.31 H new ATOM 0 HG21 VAL A 23 14.524 -4.378 -2.558 1.00 44.22 H new ATOM 0 HG22 VAL A 23 15.558 -4.739 -1.156 1.00 44.22 H new ATOM 0 HG23 VAL A 23 15.288 -5.978 -2.405 1.00 44.22 H new ATOM 363 N VAL A 24 12.732 -6.892 1.948 1.00 11.11 N ATOM 364 CA VAL A 24 11.602 -7.279 2.785 1.00 64.34 C ATOM 365 C VAL A 24 10.932 -6.058 3.404 1.00 23.11 C ATOM 366 O VAL A 24 11.597 -5.199 3.984 1.00 14.40 O ATOM 367 CB VAL A 24 12.039 -8.237 3.909 1.00 64.21 C ATOM 368 CG1 VAL A 24 13.122 -7.597 4.766 1.00 15.33 C ATOM 369 CG2 VAL A 24 10.845 -8.641 4.759 1.00 54.43 C ATOM 0 H VAL A 24 13.449 -6.351 2.432 1.00 11.11 H new ATOM 0 HA VAL A 24 10.890 -7.791 2.138 1.00 64.34 H new ATOM 0 HB VAL A 24 12.453 -9.137 3.454 1.00 64.21 H new ATOM 0 HG11 VAL A 24 13.418 -8.289 5.555 1.00 15.33 H new ATOM 0 HG12 VAL A 24 13.987 -7.363 4.145 1.00 15.33 H new ATOM 0 HG13 VAL A 24 12.738 -6.680 5.213 1.00 15.33 H new ATOM 0 HG21 VAL A 24 11.172 -9.318 5.548 1.00 54.43 H new ATOM 0 HG22 VAL A 24 10.399 -7.752 5.205 1.00 54.43 H new ATOM 0 HG23 VAL A 24 10.106 -9.143 4.134 1.00 54.43 H new ATOM 379 N VAL A 25 9.611 -5.987 3.278 1.00 31.51 N ATOM 380 CA VAL A 25 8.849 -4.872 3.827 1.00 73.50 C ATOM 381 C VAL A 25 7.914 -5.338 4.937 1.00 63.43 C ATOM 382 O VAL A 25 7.396 -6.455 4.900 1.00 72.01 O ATOM 383 CB VAL A 25 8.022 -4.167 2.736 1.00 62.11 C ATOM 384 CG1 VAL A 25 7.338 -2.931 3.300 1.00 41.33 C ATOM 385 CG2 VAL A 25 8.903 -3.804 1.551 1.00 42.53 C ATOM 0 H VAL A 25 9.046 -6.689 2.800 1.00 31.51 H new ATOM 0 HA VAL A 25 9.572 -4.167 4.238 1.00 73.50 H new ATOM 0 HB VAL A 25 7.250 -4.854 2.389 1.00 62.11 H new ATOM 0 HG11 VAL A 25 6.758 -2.446 2.515 1.00 41.33 H new ATOM 0 HG12 VAL A 25 6.674 -3.222 4.114 1.00 41.33 H new ATOM 0 HG13 VAL A 25 8.091 -2.238 3.676 1.00 41.33 H new ATOM 0 HG21 VAL A 25 8.302 -3.307 0.790 1.00 42.53 H new ATOM 0 HG22 VAL A 25 9.698 -3.135 1.880 1.00 42.53 H new ATOM 0 HG23 VAL A 25 9.341 -4.710 1.133 1.00 42.53 H new ATOM 395 N THR A 26 7.700 -4.475 5.926 1.00 63.01 N ATOM 396 CA THR A 26 6.828 -4.798 7.047 1.00 40.40 C ATOM 397 C THR A 26 5.840 -3.670 7.318 1.00 52.22 C ATOM 398 O THR A 26 6.014 -2.551 6.835 1.00 35.10 O ATOM 399 CB THR A 26 7.638 -5.072 8.328 1.00 70.53 C ATOM 400 OG1 THR A 26 8.854 -4.315 8.311 1.00 75.15 O ATOM 401 CG2 THR A 26 7.960 -6.554 8.457 1.00 72.01 C ATOM 0 H THR A 26 8.120 -3.546 5.972 1.00 63.01 H new ATOM 0 HA THR A 26 6.281 -5.699 6.771 1.00 40.40 H new ATOM 0 HB THR A 26 7.035 -4.770 9.184 1.00 70.53 H new ATOM 0 HG1 THR A 26 8.680 -3.425 7.940 1.00 75.15 H new ATOM 0 HG21 THR A 26 8.532 -6.724 9.369 1.00 72.01 H new ATOM 0 HG22 THR A 26 7.033 -7.125 8.499 1.00 72.01 H new ATOM 0 HG23 THR A 26 8.546 -6.875 7.596 1.00 72.01 H new ATOM 409 N ALA A 27 4.802 -3.971 8.091 1.00 21.20 N ATOM 410 CA ALA A 27 3.787 -2.980 8.428 1.00 43.43 C ATOM 411 C ALA A 27 4.411 -1.758 9.092 1.00 42.42 C ATOM 412 O ALA A 27 3.884 -0.649 8.993 1.00 64.23 O ATOM 413 CB ALA A 27 2.731 -3.594 9.335 1.00 15.31 C ATOM 0 H ALA A 27 4.642 -4.893 8.496 1.00 21.20 H new ATOM 0 HA ALA A 27 3.312 -2.655 7.503 1.00 43.43 H new ATOM 0 HB1 ALA A 27 1.979 -2.843 9.579 1.00 15.31 H new ATOM 0 HB2 ALA A 27 2.255 -4.431 8.824 1.00 15.31 H new ATOM 0 HB3 ALA A 27 3.201 -3.948 10.253 1.00 15.31 H new ATOM 419 N ASP A 28 5.536 -1.967 9.767 1.00 21.03 N ATOM 420 CA ASP A 28 6.232 -0.881 10.447 1.00 43.02 C ATOM 421 C ASP A 28 7.117 -0.109 9.473 1.00 0.13 C ATOM 422 O ASP A 28 7.495 1.033 9.735 1.00 51.43 O ATOM 423 CB ASP A 28 7.078 -1.430 11.597 1.00 72.32 C ATOM 424 CG ASP A 28 7.355 -0.387 12.662 1.00 52.12 C ATOM 425 OD1 ASP A 28 6.384 0.179 13.206 1.00 40.42 O ATOM 426 OD2 ASP A 28 8.544 -0.138 12.951 1.00 1.32 O ATOM 0 H ASP A 28 5.985 -2.878 9.858 1.00 21.03 H new ATOM 0 HA ASP A 28 5.483 -0.199 10.850 1.00 43.02 H new ATOM 0 HB2 ASP A 28 6.565 -2.279 12.049 1.00 72.32 H new ATOM 0 HB3 ASP A 28 8.024 -1.802 11.203 1.00 72.32 H new ATOM 431 N SER A 29 7.444 -0.740 8.350 1.00 74.44 N ATOM 432 CA SER A 29 8.288 -0.114 7.340 1.00 40.33 C ATOM 433 C SER A 29 7.539 1.006 6.625 1.00 44.10 C ATOM 434 O SER A 29 6.481 0.783 6.038 1.00 1.41 O ATOM 435 CB SER A 29 8.762 -1.156 6.323 1.00 13.24 C ATOM 436 OG SER A 29 9.505 -2.183 6.955 1.00 5.13 O ATOM 0 H SER A 29 7.137 -1.684 8.117 1.00 74.44 H new ATOM 0 HA SER A 29 9.156 0.315 7.842 1.00 40.33 H new ATOM 0 HB2 SER A 29 7.902 -1.587 5.811 1.00 13.24 H new ATOM 0 HB3 SER A 29 9.376 -0.674 5.563 1.00 13.24 H new ATOM 0 HG SER A 29 9.928 -2.747 6.274 1.00 5.13 H new ATOM 442 N GLU A 30 8.097 2.212 6.680 1.00 25.11 N ATOM 443 CA GLU A 30 7.482 3.368 6.039 1.00 41.13 C ATOM 444 C GLU A 30 7.956 3.505 4.594 1.00 72.00 C ATOM 445 O GLU A 30 9.134 3.310 4.295 1.00 72.11 O ATOM 446 CB GLU A 30 7.807 4.644 6.817 1.00 71.02 C ATOM 447 CG GLU A 30 7.645 4.497 8.321 1.00 23.42 C ATOM 448 CD GLU A 30 7.261 5.799 8.997 1.00 40.31 C ATOM 449 OE1 GLU A 30 6.169 6.324 8.697 1.00 11.04 O ATOM 450 OE2 GLU A 30 8.055 6.293 9.826 1.00 74.12 O ATOM 0 H GLU A 30 8.973 2.413 7.162 1.00 25.11 H new ATOM 0 HA GLU A 30 6.402 3.218 6.037 1.00 41.13 H new ATOM 0 HB2 GLU A 30 8.832 4.942 6.598 1.00 71.02 H new ATOM 0 HB3 GLU A 30 7.159 5.448 6.467 1.00 71.02 H new ATOM 0 HG2 GLU A 30 6.883 3.746 8.529 1.00 23.42 H new ATOM 0 HG3 GLU A 30 8.578 4.131 8.749 1.00 23.42 H new ATOM 457 N PHE A 31 7.029 3.842 3.703 1.00 25.55 N ATOM 458 CA PHE A 31 7.351 4.005 2.290 1.00 25.14 C ATOM 459 C PHE A 31 8.526 4.961 2.107 1.00 42.33 C ATOM 460 O PHE A 31 9.291 4.845 1.148 1.00 53.30 O ATOM 461 CB PHE A 31 6.133 4.524 1.524 1.00 70.22 C ATOM 462 CG PHE A 31 4.941 3.612 1.604 1.00 22.21 C ATOM 463 CD1 PHE A 31 4.954 2.377 0.977 1.00 63.41 C ATOM 464 CD2 PHE A 31 3.809 3.990 2.307 1.00 21.15 C ATOM 465 CE1 PHE A 31 3.859 1.537 1.048 1.00 64.30 C ATOM 466 CE2 PHE A 31 2.711 3.154 2.383 1.00 72.13 C ATOM 467 CZ PHE A 31 2.737 1.925 1.753 1.00 43.20 C ATOM 0 H PHE A 31 6.049 4.007 3.934 1.00 25.55 H new ATOM 0 HA PHE A 31 7.633 3.030 1.893 1.00 25.14 H new ATOM 0 HB2 PHE A 31 5.858 5.503 1.915 1.00 70.22 H new ATOM 0 HB3 PHE A 31 6.404 4.663 0.478 1.00 70.22 H new ATOM 0 HD1 PHE A 31 5.830 2.067 0.426 1.00 63.41 H new ATOM 0 HD2 PHE A 31 3.784 4.950 2.802 1.00 21.15 H new ATOM 0 HE1 PHE A 31 3.881 0.578 0.552 1.00 64.30 H new ATOM 0 HE2 PHE A 31 1.834 3.461 2.934 1.00 72.13 H new ATOM 0 HZ PHE A 31 1.881 1.269 1.812 1.00 43.20 H new ATOM 477 N SER A 32 8.663 5.905 3.033 1.00 44.42 N ATOM 478 CA SER A 32 9.743 6.884 2.971 1.00 52.33 C ATOM 479 C SER A 32 11.071 6.254 3.376 1.00 61.50 C ATOM 480 O SER A 32 12.123 6.587 2.829 1.00 62.31 O ATOM 481 CB SER A 32 9.431 8.075 3.879 1.00 25.53 C ATOM 482 OG SER A 32 10.465 9.042 3.824 1.00 11.11 O ATOM 0 H SER A 32 8.041 6.013 3.834 1.00 44.42 H new ATOM 0 HA SER A 32 9.827 7.233 1.942 1.00 52.33 H new ATOM 0 HB2 SER A 32 8.487 8.529 3.577 1.00 25.53 H new ATOM 0 HB3 SER A 32 9.305 7.731 4.905 1.00 25.53 H new ATOM 0 HG SER A 32 10.241 9.794 4.412 1.00 11.11 H new ATOM 488 N LYS A 33 11.017 5.341 4.341 1.00 50.25 N ATOM 489 CA LYS A 33 12.214 4.662 4.820 1.00 21.44 C ATOM 490 C LYS A 33 12.675 3.603 3.825 1.00 5.40 C ATOM 491 O LYS A 33 13.870 3.328 3.703 1.00 5.33 O ATOM 492 CB LYS A 33 11.947 4.015 6.181 1.00 24.21 C ATOM 493 CG LYS A 33 12.257 4.924 7.358 1.00 12.13 C ATOM 494 CD LYS A 33 13.687 4.748 7.837 1.00 22.24 C ATOM 495 CE LYS A 33 13.841 5.155 9.296 1.00 40.42 C ATOM 496 NZ LYS A 33 15.265 5.402 9.654 1.00 33.43 N ATOM 0 H LYS A 33 10.156 5.055 4.806 1.00 50.25 H new ATOM 0 HA LYS A 33 13.005 5.405 4.925 1.00 21.44 H new ATOM 0 HB2 LYS A 33 10.901 3.713 6.231 1.00 24.21 H new ATOM 0 HB3 LYS A 33 12.545 3.108 6.266 1.00 24.21 H new ATOM 0 HG2 LYS A 33 12.094 5.962 7.069 1.00 12.13 H new ATOM 0 HG3 LYS A 33 11.569 4.709 8.176 1.00 12.13 H new ATOM 0 HD2 LYS A 33 13.987 3.707 7.715 1.00 22.24 H new ATOM 0 HD3 LYS A 33 14.355 5.347 7.219 1.00 22.24 H new ATOM 0 HE2 LYS A 33 13.257 6.056 9.486 1.00 40.42 H new ATOM 0 HE3 LYS A 33 13.436 4.372 9.937 1.00 40.42 H new ATOM 0 HZ1 LYS A 33 15.329 5.677 10.655 1.00 33.43 H new ATOM 0 HZ2 LYS A 33 15.818 4.535 9.497 1.00 33.43 H new ATOM 0 HZ3 LYS A 33 15.645 6.167 9.060 1.00 33.43 H new ATOM 510 N LEU A 34 11.722 3.013 3.112 1.00 63.50 N ATOM 511 CA LEU A 34 12.031 1.985 2.124 1.00 65.11 C ATOM 512 C LEU A 34 12.807 2.572 0.950 1.00 2.34 C ATOM 513 O LEU A 34 13.488 1.854 0.219 1.00 32.34 O ATOM 514 CB LEU A 34 10.744 1.329 1.621 1.00 22.30 C ATOM 515 CG LEU A 34 9.941 0.544 2.659 1.00 24.54 C ATOM 516 CD1 LEU A 34 8.758 -0.152 2.005 1.00 3.11 C ATOM 517 CD2 LEU A 34 10.831 -0.467 3.369 1.00 51.13 C ATOM 0 H LEU A 34 10.729 3.229 3.199 1.00 63.50 H new ATOM 0 HA LEU A 34 12.653 1.230 2.606 1.00 65.11 H new ATOM 0 HB2 LEU A 34 10.102 2.106 1.206 1.00 22.30 H new ATOM 0 HB3 LEU A 34 10.999 0.655 0.803 1.00 22.30 H new ATOM 0 HG LEU A 34 9.559 1.246 3.400 1.00 24.54 H new ATOM 0 HD11 LEU A 34 8.199 -0.705 2.759 1.00 3.11 H new ATOM 0 HD12 LEU A 34 8.108 0.592 1.544 1.00 3.11 H new ATOM 0 HD13 LEU A 34 9.118 -0.842 1.242 1.00 3.11 H new ATOM 0 HD21 LEU A 34 10.243 -1.016 4.104 1.00 51.13 H new ATOM 0 HD22 LEU A 34 11.243 -1.164 2.640 1.00 51.13 H new ATOM 0 HD23 LEU A 34 11.645 0.055 3.872 1.00 51.13 H new ATOM 529 N GLY A 35 12.701 3.887 0.776 1.00 42.23 N ATOM 530 CA GLY A 35 13.400 4.550 -0.310 1.00 71.30 C ATOM 531 C GLY A 35 12.451 5.134 -1.338 1.00 23.43 C ATOM 532 O GLY A 35 12.872 5.860 -2.238 1.00 42.51 O ATOM 0 H GLY A 35 12.144 4.504 1.367 1.00 42.23 H new ATOM 0 HA2 GLY A 35 14.025 5.345 0.096 1.00 71.30 H new ATOM 0 HA3 GLY A 35 14.066 3.838 -0.798 1.00 71.30 H new ATOM 536 N ALA A 36 11.168 4.816 -1.206 1.00 33.20 N ATOM 537 CA ALA A 36 10.158 5.314 -2.131 1.00 0.23 C ATOM 538 C ALA A 36 9.939 6.812 -1.950 1.00 32.34 C ATOM 539 O ALA A 36 9.944 7.318 -0.827 1.00 52.35 O ATOM 540 CB ALA A 36 8.849 4.560 -1.940 1.00 25.55 C ATOM 0 H ALA A 36 10.803 4.215 -0.467 1.00 33.20 H new ATOM 0 HA ALA A 36 10.516 5.146 -3.147 1.00 0.23 H new ATOM 0 HB1 ALA A 36 8.104 4.942 -2.637 1.00 25.55 H new ATOM 0 HB2 ALA A 36 9.010 3.498 -2.127 1.00 25.55 H new ATOM 0 HB3 ALA A 36 8.495 4.699 -0.918 1.00 25.55 H new ATOM 546 N ASP A 37 9.748 7.516 -3.059 1.00 52.34 N ATOM 547 CA ASP A 37 9.526 8.956 -3.023 1.00 1.54 C ATOM 548 C ASP A 37 8.087 9.295 -3.398 1.00 2.34 C ATOM 549 O ASP A 37 7.273 8.405 -3.644 1.00 32.01 O ATOM 550 CB ASP A 37 10.494 9.668 -3.970 1.00 62.15 C ATOM 551 CG ASP A 37 10.797 8.848 -5.210 1.00 53.43 C ATOM 552 OD1 ASP A 37 9.841 8.478 -5.924 1.00 75.54 O ATOM 553 OD2 ASP A 37 11.988 8.579 -5.467 1.00 12.22 O ATOM 0 H ASP A 37 9.742 7.112 -3.996 1.00 52.34 H new ATOM 0 HA ASP A 37 9.707 9.300 -2.005 1.00 1.54 H new ATOM 0 HB2 ASP A 37 10.069 10.627 -4.267 1.00 62.15 H new ATOM 0 HB3 ASP A 37 11.424 9.881 -3.442 1.00 62.15 H new ATOM 558 N SER A 38 7.780 10.588 -3.439 1.00 63.01 N ATOM 559 CA SER A 38 6.437 11.044 -3.779 1.00 63.11 C ATOM 560 C SER A 38 5.996 10.477 -5.125 1.00 41.34 C ATOM 561 O SER A 38 4.805 10.272 -5.365 1.00 3.31 O ATOM 562 CB SER A 38 6.390 12.573 -3.816 1.00 54.15 C ATOM 563 OG SER A 38 5.812 13.095 -2.633 1.00 74.45 O ATOM 0 H SER A 38 8.443 11.338 -3.241 1.00 63.01 H new ATOM 0 HA SER A 38 5.752 10.685 -3.011 1.00 63.11 H new ATOM 0 HB2 SER A 38 7.399 12.968 -3.936 1.00 54.15 H new ATOM 0 HB3 SER A 38 5.814 12.901 -4.681 1.00 54.15 H new ATOM 0 HG SER A 38 5.795 14.074 -2.681 1.00 74.45 H new ATOM 569 N LEU A 39 6.963 10.226 -6.001 1.00 22.15 N ATOM 570 CA LEU A 39 6.676 9.683 -7.324 1.00 24.33 C ATOM 571 C LEU A 39 6.366 8.192 -7.244 1.00 60.13 C ATOM 572 O LEU A 39 5.654 7.649 -8.088 1.00 54.44 O ATOM 573 CB LEU A 39 7.861 9.920 -8.262 1.00 51.10 C ATOM 574 CG LEU A 39 8.450 11.331 -8.256 1.00 73.43 C ATOM 575 CD1 LEU A 39 9.792 11.352 -8.969 1.00 63.24 C ATOM 576 CD2 LEU A 39 7.486 12.315 -8.902 1.00 74.34 C ATOM 0 H LEU A 39 7.953 10.390 -5.819 1.00 22.15 H new ATOM 0 HA LEU A 39 5.800 10.197 -7.719 1.00 24.33 H new ATOM 0 HB2 LEU A 39 8.652 9.217 -8.001 1.00 51.10 H new ATOM 0 HB3 LEU A 39 7.547 9.683 -9.279 1.00 51.10 H new ATOM 0 HG LEU A 39 8.607 11.634 -7.221 1.00 73.43 H new ATOM 0 HD11 LEU A 39 10.196 12.364 -8.955 1.00 63.24 H new ATOM 0 HD12 LEU A 39 10.483 10.678 -8.463 1.00 63.24 H new ATOM 0 HD13 LEU A 39 9.661 11.028 -10.002 1.00 63.24 H new ATOM 0 HD21 LEU A 39 7.922 13.314 -8.889 1.00 74.34 H new ATOM 0 HD22 LEU A 39 7.297 12.015 -9.933 1.00 74.34 H new ATOM 0 HD23 LEU A 39 6.547 12.322 -8.348 1.00 74.34 H new ATOM 588 N ASP A 40 6.905 7.534 -6.222 1.00 51.43 N ATOM 589 CA ASP A 40 6.683 6.106 -6.030 1.00 32.32 C ATOM 590 C ASP A 40 5.343 5.851 -5.346 1.00 3.41 C ATOM 591 O ASP A 40 4.524 5.070 -5.832 1.00 24.31 O ATOM 592 CB ASP A 40 7.816 5.500 -5.200 1.00 61.02 C ATOM 593 CG ASP A 40 9.054 5.218 -6.030 1.00 72.21 C ATOM 594 OD1 ASP A 40 8.903 4.840 -7.209 1.00 64.25 O ATOM 595 OD2 ASP A 40 10.173 5.376 -5.498 1.00 54.22 O ATOM 0 H ASP A 40 7.498 7.967 -5.515 1.00 51.43 H new ATOM 0 HA ASP A 40 6.666 5.631 -7.011 1.00 32.32 H new ATOM 0 HB2 ASP A 40 8.073 6.181 -4.389 1.00 61.02 H new ATOM 0 HB3 ASP A 40 7.471 4.574 -4.741 1.00 61.02 H new ATOM 600 N THR A 41 5.125 6.515 -4.216 1.00 2.12 N ATOM 601 CA THR A 41 3.886 6.360 -3.465 1.00 32.53 C ATOM 602 C THR A 41 2.671 6.470 -4.378 1.00 21.15 C ATOM 603 O THR A 41 1.798 5.603 -4.374 1.00 14.34 O ATOM 604 CB THR A 41 3.771 7.412 -2.345 1.00 45.22 C ATOM 605 OG1 THR A 41 5.076 7.831 -1.931 1.00 2.33 O ATOM 606 CG2 THR A 41 3.010 6.854 -1.153 1.00 2.15 C ATOM 0 H THR A 41 5.791 7.166 -3.800 1.00 2.12 H new ATOM 0 HA THR A 41 3.911 5.366 -3.018 1.00 32.53 H new ATOM 0 HB THR A 41 3.222 8.268 -2.737 1.00 45.22 H new ATOM 0 HG1 THR A 41 4.994 8.501 -1.220 1.00 2.33 H new ATOM 0 HG21 THR A 41 2.942 7.615 -0.376 1.00 2.15 H new ATOM 0 HG22 THR A 41 2.007 6.564 -1.465 1.00 2.15 H new ATOM 0 HG23 THR A 41 3.535 5.982 -0.762 1.00 2.15 H new ATOM 614 N VAL A 42 2.622 7.543 -5.161 1.00 33.04 N ATOM 615 CA VAL A 42 1.513 7.767 -6.082 1.00 45.33 C ATOM 616 C VAL A 42 1.281 6.548 -6.967 1.00 14.31 C ATOM 617 O VAL A 42 0.143 6.229 -7.312 1.00 42.45 O ATOM 618 CB VAL A 42 1.765 8.996 -6.976 1.00 24.42 C ATOM 619 CG1 VAL A 42 3.062 8.832 -7.755 1.00 40.01 C ATOM 620 CG2 VAL A 42 0.592 9.220 -7.917 1.00 64.10 C ATOM 0 H VAL A 42 3.337 8.271 -5.176 1.00 33.04 H new ATOM 0 HA VAL A 42 0.627 7.946 -5.473 1.00 45.33 H new ATOM 0 HB VAL A 42 1.861 9.875 -6.338 1.00 24.42 H new ATOM 0 HG11 VAL A 42 3.224 9.709 -8.381 1.00 40.01 H new ATOM 0 HG12 VAL A 42 3.894 8.725 -7.059 1.00 40.01 H new ATOM 0 HG13 VAL A 42 2.999 7.944 -8.384 1.00 40.01 H new ATOM 0 HG21 VAL A 42 0.787 10.092 -8.541 1.00 64.10 H new ATOM 0 HG22 VAL A 42 0.461 8.343 -8.551 1.00 64.10 H new ATOM 0 HG23 VAL A 42 -0.315 9.386 -7.335 1.00 64.10 H new ATOM 630 N GLU A 43 2.365 5.871 -7.330 1.00 42.15 N ATOM 631 CA GLU A 43 2.277 4.685 -8.176 1.00 3.54 C ATOM 632 C GLU A 43 1.749 3.492 -7.387 1.00 74.34 C ATOM 633 O GLU A 43 1.099 2.606 -7.942 1.00 52.51 O ATOM 634 CB GLU A 43 3.648 4.353 -8.768 1.00 22.00 C ATOM 635 CG GLU A 43 3.799 4.764 -10.223 1.00 45.20 C ATOM 636 CD GLU A 43 5.250 4.872 -10.652 1.00 13.02 C ATOM 637 OE1 GLU A 43 5.865 3.823 -10.932 1.00 42.45 O ATOM 638 OE2 GLU A 43 5.768 6.007 -10.706 1.00 50.45 O ATOM 0 H GLU A 43 3.314 6.122 -7.052 1.00 42.15 H new ATOM 0 HA GLU A 43 1.580 4.898 -8.987 1.00 3.54 H new ATOM 0 HB2 GLU A 43 4.419 4.848 -8.178 1.00 22.00 H new ATOM 0 HB3 GLU A 43 3.821 3.280 -8.683 1.00 22.00 H new ATOM 0 HG2 GLU A 43 3.290 4.038 -10.856 1.00 45.20 H new ATOM 0 HG3 GLU A 43 3.306 5.723 -10.379 1.00 45.20 H new ATOM 645 N ILE A 44 2.033 3.475 -6.089 1.00 43.12 N ATOM 646 CA ILE A 44 1.585 2.391 -5.223 1.00 5.25 C ATOM 647 C ILE A 44 0.064 2.290 -5.210 1.00 23.01 C ATOM 648 O ILE A 44 -0.501 1.229 -5.474 1.00 43.04 O ATOM 649 CB ILE A 44 2.089 2.579 -3.780 1.00 20.10 C ATOM 650 CG1 ILE A 44 3.606 2.774 -3.767 1.00 44.31 C ATOM 651 CG2 ILE A 44 1.695 1.386 -2.922 1.00 44.23 C ATOM 652 CD1 ILE A 44 4.352 1.762 -4.608 1.00 4.02 C ATOM 0 H ILE A 44 2.571 4.200 -5.614 1.00 43.12 H new ATOM 0 HA ILE A 44 2.004 1.470 -5.628 1.00 5.25 H new ATOM 0 HB ILE A 44 1.624 3.472 -3.362 1.00 20.10 H new ATOM 0 HG12 ILE A 44 3.839 3.776 -4.127 1.00 44.31 H new ATOM 0 HG13 ILE A 44 3.963 2.714 -2.739 1.00 44.31 H new ATOM 0 HG21 ILE A 44 2.058 1.534 -1.905 1.00 44.23 H new ATOM 0 HG22 ILE A 44 0.609 1.290 -2.909 1.00 44.23 H new ATOM 0 HG23 ILE A 44 2.135 0.479 -3.336 1.00 44.23 H new ATOM 0 HD11 ILE A 44 5.422 1.961 -4.552 1.00 4.02 H new ATOM 0 HD12 ILE A 44 4.149 0.758 -4.234 1.00 4.02 H new ATOM 0 HD13 ILE A 44 4.023 1.837 -5.644 1.00 4.02 H new ATOM 664 N VAL A 45 -0.595 3.403 -4.902 1.00 44.13 N ATOM 665 CA VAL A 45 -2.051 3.442 -4.857 1.00 74.43 C ATOM 666 C VAL A 45 -2.653 3.081 -6.211 1.00 23.34 C ATOM 667 O VAL A 45 -3.725 2.482 -6.285 1.00 42.45 O ATOM 668 CB VAL A 45 -2.564 4.831 -4.434 1.00 72.41 C ATOM 669 CG1 VAL A 45 -2.012 5.907 -5.356 1.00 3.54 C ATOM 670 CG2 VAL A 45 -4.084 4.857 -4.422 1.00 33.32 C ATOM 0 H VAL A 45 -0.143 4.290 -4.680 1.00 44.13 H new ATOM 0 HA VAL A 45 -2.363 2.707 -4.115 1.00 74.43 H new ATOM 0 HB VAL A 45 -2.212 5.036 -3.423 1.00 72.41 H new ATOM 0 HG11 VAL A 45 -2.385 6.882 -5.042 1.00 3.54 H new ATOM 0 HG12 VAL A 45 -0.923 5.903 -5.309 1.00 3.54 H new ATOM 0 HG13 VAL A 45 -2.332 5.709 -6.379 1.00 3.54 H new ATOM 0 HG21 VAL A 45 -4.429 5.846 -4.121 1.00 33.32 H new ATOM 0 HG22 VAL A 45 -4.460 4.630 -5.420 1.00 33.32 H new ATOM 0 HG23 VAL A 45 -4.455 4.113 -3.717 1.00 33.32 H new ATOM 680 N MET A 46 -1.954 3.449 -7.279 1.00 51.01 N ATOM 681 CA MET A 46 -2.418 3.163 -8.632 1.00 61.21 C ATOM 682 C MET A 46 -2.482 1.659 -8.877 1.00 42.34 C ATOM 683 O MET A 46 -3.493 1.139 -9.345 1.00 14.42 O ATOM 684 CB MET A 46 -1.497 3.821 -9.661 1.00 11.55 C ATOM 685 CG MET A 46 -2.134 3.984 -11.032 1.00 34.25 C ATOM 686 SD MET A 46 -0.946 4.469 -12.297 1.00 25.24 S ATOM 687 CE MET A 46 -0.290 5.977 -11.585 1.00 62.13 C ATOM 0 H MET A 46 -1.064 3.946 -7.234 1.00 51.01 H new ATOM 0 HA MET A 46 -3.422 3.574 -8.740 1.00 61.21 H new ATOM 0 HB2 MET A 46 -1.194 4.801 -9.291 1.00 11.55 H new ATOM 0 HB3 MET A 46 -0.591 3.224 -9.759 1.00 11.55 H new ATOM 0 HG2 MET A 46 -2.606 3.045 -11.323 1.00 34.25 H new ATOM 0 HG3 MET A 46 -2.924 4.733 -10.975 1.00 34.25 H new ATOM 0 HE1 MET A 46 0.110 6.609 -12.377 1.00 62.13 H new ATOM 0 HE2 MET A 46 -1.085 6.509 -11.063 1.00 62.13 H new ATOM 0 HE3 MET A 46 0.505 5.731 -10.881 1.00 62.13 H new ATOM 697 N ASN A 47 -1.394 0.965 -8.560 1.00 4.14 N ATOM 698 CA ASN A 47 -1.325 -0.479 -8.747 1.00 54.43 C ATOM 699 C ASN A 47 -2.300 -1.195 -7.816 1.00 42.33 C ATOM 700 O ASN A 47 -2.905 -2.202 -8.187 1.00 0.42 O ATOM 701 CB ASN A 47 0.097 -0.981 -8.497 1.00 4.11 C ATOM 702 CG ASN A 47 0.943 -0.972 -9.756 1.00 43.13 C ATOM 703 OD1 ASN A 47 1.495 -1.998 -10.154 1.00 60.34 O ATOM 704 ND2 ASN A 47 1.050 0.190 -10.389 1.00 10.13 N ATOM 0 H ASN A 47 -0.547 1.380 -8.172 1.00 4.14 H new ATOM 0 HA ASN A 47 -1.604 -0.700 -9.777 1.00 54.43 H new ATOM 0 HB2 ASN A 47 0.572 -0.358 -7.739 1.00 4.11 H new ATOM 0 HB3 ASN A 47 0.057 -1.994 -8.097 1.00 4.11 H new ATOM 0 HD21 ASN A 47 1.607 0.257 -11.241 1.00 10.13 H new ATOM 0 HD22 ASN A 47 0.575 1.015 -10.023 1.00 10.13 H new ATOM 711 N LEU A 48 -2.447 -0.668 -6.606 1.00 33.32 N ATOM 712 CA LEU A 48 -3.349 -1.256 -5.620 1.00 1.32 C ATOM 713 C LEU A 48 -4.803 -1.117 -6.062 1.00 62.53 C ATOM 714 O LEU A 48 -5.568 -2.080 -6.016 1.00 33.21 O ATOM 715 CB LEU A 48 -3.152 -0.588 -4.259 1.00 12.25 C ATOM 716 CG LEU A 48 -1.832 -0.889 -3.548 1.00 11.24 C ATOM 717 CD1 LEU A 48 -1.619 0.072 -2.389 1.00 0.14 C ATOM 718 CD2 LEU A 48 -1.807 -2.330 -3.059 1.00 62.43 C ATOM 0 H LEU A 48 -1.954 0.165 -6.283 1.00 33.32 H new ATOM 0 HA LEU A 48 -3.114 -2.317 -5.535 1.00 1.32 H new ATOM 0 HB2 LEU A 48 -3.232 0.491 -4.391 1.00 12.25 H new ATOM 0 HB3 LEU A 48 -3.971 -0.891 -3.606 1.00 12.25 H new ATOM 0 HG LEU A 48 -1.018 -0.753 -4.260 1.00 11.24 H new ATOM 0 HD11 LEU A 48 -0.675 -0.157 -1.895 1.00 0.14 H new ATOM 0 HD12 LEU A 48 -1.593 1.095 -2.765 1.00 0.14 H new ATOM 0 HD13 LEU A 48 -2.436 -0.032 -1.675 1.00 0.14 H new ATOM 0 HD21 LEU A 48 -0.861 -2.527 -2.555 1.00 62.43 H new ATOM 0 HD22 LEU A 48 -2.629 -2.492 -2.362 1.00 62.43 H new ATOM 0 HD23 LEU A 48 -1.913 -3.004 -3.909 1.00 62.43 H new ATOM 730 N GLU A 49 -5.174 0.084 -6.492 1.00 20.12 N ATOM 731 CA GLU A 49 -6.535 0.346 -6.943 1.00 12.10 C ATOM 732 C GLU A 49 -6.940 -0.628 -8.045 1.00 22.21 C ATOM 733 O GLU A 49 -8.079 -1.093 -8.089 1.00 12.14 O ATOM 734 CB GLU A 49 -6.661 1.785 -7.447 1.00 43.22 C ATOM 735 CG GLU A 49 -6.828 2.808 -6.336 1.00 71.31 C ATOM 736 CD GLU A 49 -6.650 4.233 -6.822 1.00 71.51 C ATOM 737 OE1 GLU A 49 -6.464 4.423 -8.042 1.00 2.20 O ATOM 738 OE2 GLU A 49 -6.696 5.157 -5.984 1.00 24.34 O ATOM 0 H GLU A 49 -4.552 0.891 -6.538 1.00 20.12 H new ATOM 0 HA GLU A 49 -7.205 0.206 -6.094 1.00 12.10 H new ATOM 0 HB2 GLU A 49 -5.775 2.036 -8.030 1.00 43.22 H new ATOM 0 HB3 GLU A 49 -7.515 1.851 -8.121 1.00 43.22 H new ATOM 0 HG2 GLU A 49 -7.819 2.700 -5.894 1.00 71.31 H new ATOM 0 HG3 GLU A 49 -6.103 2.604 -5.548 1.00 71.31 H new ATOM 745 N GLU A 50 -5.999 -0.932 -8.933 1.00 2.12 N ATOM 746 CA GLU A 50 -6.258 -1.850 -10.036 1.00 42.53 C ATOM 747 C GLU A 50 -6.301 -3.293 -9.544 1.00 72.35 C ATOM 748 O GLU A 50 -6.973 -4.140 -10.132 1.00 34.00 O ATOM 749 CB GLU A 50 -5.186 -1.700 -11.117 1.00 23.14 C ATOM 750 CG GLU A 50 -5.384 -2.626 -12.304 1.00 44.13 C ATOM 751 CD GLU A 50 -4.205 -2.612 -13.259 1.00 33.14 C ATOM 752 OE1 GLU A 50 -3.060 -2.785 -12.791 1.00 63.13 O ATOM 753 OE2 GLU A 50 -4.428 -2.428 -14.473 1.00 52.53 O ATOM 0 H GLU A 50 -5.051 -0.556 -8.910 1.00 2.12 H new ATOM 0 HA GLU A 50 -7.230 -1.600 -10.462 1.00 42.53 H new ATOM 0 HB2 GLU A 50 -5.179 -0.668 -11.469 1.00 23.14 H new ATOM 0 HB3 GLU A 50 -4.208 -1.893 -10.676 1.00 23.14 H new ATOM 0 HG2 GLU A 50 -5.543 -3.643 -11.944 1.00 44.13 H new ATOM 0 HG3 GLU A 50 -6.286 -2.333 -12.842 1.00 44.13 H new ATOM 760 N GLU A 51 -5.579 -3.566 -8.463 1.00 23.22 N ATOM 761 CA GLU A 51 -5.533 -4.907 -7.893 1.00 32.10 C ATOM 762 C GLU A 51 -6.835 -5.235 -7.168 1.00 34.42 C ATOM 763 O GLU A 51 -7.456 -6.268 -7.419 1.00 30.34 O ATOM 764 CB GLU A 51 -4.353 -5.035 -6.926 1.00 43.05 C ATOM 765 CG GLU A 51 -3.820 -6.453 -6.803 1.00 33.51 C ATOM 766 CD GLU A 51 -4.780 -7.375 -6.077 1.00 73.02 C ATOM 767 OE1 GLU A 51 -5.456 -6.909 -5.136 1.00 42.32 O ATOM 768 OE2 GLU A 51 -4.855 -8.565 -6.451 1.00 33.44 O ATOM 0 H GLU A 51 -5.017 -2.876 -7.964 1.00 23.22 H new ATOM 0 HA GLU A 51 -5.403 -5.616 -8.710 1.00 32.10 H new ATOM 0 HB2 GLU A 51 -3.548 -4.380 -7.260 1.00 43.05 H new ATOM 0 HB3 GLU A 51 -4.661 -4.685 -5.941 1.00 43.05 H new ATOM 0 HG2 GLU A 51 -3.623 -6.851 -7.798 1.00 33.51 H new ATOM 0 HG3 GLU A 51 -2.868 -6.435 -6.272 1.00 33.51 H new ATOM 775 N PHE A 52 -7.243 -4.347 -6.267 1.00 75.23 N ATOM 776 CA PHE A 52 -8.471 -4.541 -5.504 1.00 61.23 C ATOM 777 C PHE A 52 -9.659 -3.897 -6.212 1.00 55.03 C ATOM 778 O PHE A 52 -10.743 -3.772 -5.641 1.00 45.53 O ATOM 779 CB PHE A 52 -8.322 -3.955 -4.099 1.00 72.52 C ATOM 780 CG PHE A 52 -7.146 -4.503 -3.342 1.00 72.43 C ATOM 781 CD1 PHE A 52 -7.253 -5.690 -2.634 1.00 12.24 C ATOM 782 CD2 PHE A 52 -5.933 -3.833 -3.340 1.00 35.22 C ATOM 783 CE1 PHE A 52 -6.173 -6.198 -1.937 1.00 3.50 C ATOM 784 CE2 PHE A 52 -4.850 -4.337 -2.644 1.00 4.00 C ATOM 785 CZ PHE A 52 -4.969 -5.519 -1.942 1.00 73.34 C ATOM 0 H PHE A 52 -6.741 -3.486 -6.047 1.00 75.23 H new ATOM 0 HA PHE A 52 -8.654 -5.613 -5.426 1.00 61.23 H new ATOM 0 HB2 PHE A 52 -8.223 -2.872 -4.174 1.00 72.52 H new ATOM 0 HB3 PHE A 52 -9.232 -4.153 -3.533 1.00 72.52 H new ATOM 0 HD1 PHE A 52 -8.192 -6.224 -2.627 1.00 12.24 H new ATOM 0 HD2 PHE A 52 -5.833 -2.908 -3.888 1.00 35.22 H new ATOM 0 HE1 PHE A 52 -6.270 -7.124 -1.389 1.00 3.50 H new ATOM 0 HE2 PHE A 52 -3.910 -3.805 -2.650 1.00 4.00 H new ATOM 0 HZ PHE A 52 -4.123 -5.913 -1.398 1.00 73.34 H new ATOM 795 N GLY A 53 -9.448 -3.490 -7.460 1.00 23.01 N ATOM 796 CA GLY A 53 -10.509 -2.863 -8.226 1.00 21.32 C ATOM 797 C GLY A 53 -11.156 -1.711 -7.484 1.00 11.04 C ATOM 798 O GLY A 53 -12.330 -1.405 -7.701 1.00 25.31 O ATOM 0 H GLY A 53 -8.561 -3.583 -7.954 1.00 23.01 H new ATOM 0 HA2 GLY A 53 -10.105 -2.501 -9.172 1.00 21.32 H new ATOM 0 HA3 GLY A 53 -11.268 -3.608 -8.467 1.00 21.32 H new ATOM 802 N ILE A 54 -10.392 -1.070 -6.606 1.00 4.02 N ATOM 803 CA ILE A 54 -10.899 0.055 -5.829 1.00 73.13 C ATOM 804 C ILE A 54 -10.394 1.381 -6.387 1.00 62.20 C ATOM 805 O ILE A 54 -9.658 1.410 -7.372 1.00 44.22 O ATOM 806 CB ILE A 54 -10.492 -0.055 -4.348 1.00 30.41 C ATOM 807 CG1 ILE A 54 -8.968 -0.038 -4.213 1.00 64.21 C ATOM 808 CG2 ILE A 54 -11.069 -1.320 -3.732 1.00 64.22 C ATOM 809 CD1 ILE A 54 -8.489 0.097 -2.785 1.00 34.34 C ATOM 0 H ILE A 54 -9.419 -1.310 -6.415 1.00 4.02 H new ATOM 0 HA ILE A 54 -11.986 0.024 -5.902 1.00 73.13 H new ATOM 0 HB ILE A 54 -10.896 0.804 -3.811 1.00 30.41 H new ATOM 0 HG12 ILE A 54 -8.564 -0.957 -4.638 1.00 64.21 H new ATOM 0 HG13 ILE A 54 -8.569 0.788 -4.801 1.00 64.21 H new ATOM 0 HG21 ILE A 54 -10.772 -1.383 -2.685 1.00 64.22 H new ATOM 0 HG22 ILE A 54 -12.157 -1.294 -3.800 1.00 64.22 H new ATOM 0 HG23 ILE A 54 -10.692 -2.191 -4.269 1.00 64.22 H new ATOM 0 HD11 ILE A 54 -7.399 0.102 -2.766 1.00 34.34 H new ATOM 0 HD12 ILE A 54 -8.864 1.029 -2.362 1.00 34.34 H new ATOM 0 HD13 ILE A 54 -8.858 -0.743 -2.196 1.00 34.34 H new ATOM 821 N ASN A 55 -10.793 2.475 -5.748 1.00 3.51 N ATOM 822 CA ASN A 55 -10.379 3.806 -6.181 1.00 33.15 C ATOM 823 C ASN A 55 -10.300 4.763 -4.995 1.00 63.35 C ATOM 824 O ASN A 55 -11.187 4.787 -4.142 1.00 73.13 O ATOM 825 CB ASN A 55 -11.354 4.351 -7.226 1.00 41.55 C ATOM 826 CG ASN A 55 -12.787 3.940 -6.951 1.00 20.40 C ATOM 827 OD1 ASN A 55 -13.402 3.223 -7.742 1.00 13.32 O ATOM 828 ND2 ASN A 55 -13.326 4.392 -5.825 1.00 35.32 N ATOM 0 H ASN A 55 -11.402 2.467 -4.930 1.00 3.51 H new ATOM 0 HA ASN A 55 -9.388 3.724 -6.627 1.00 33.15 H new ATOM 0 HB2 ASN A 55 -11.289 5.439 -7.247 1.00 41.55 H new ATOM 0 HB3 ASN A 55 -11.060 3.995 -8.213 1.00 41.55 H new ATOM 0 HD21 ASN A 55 -14.287 4.148 -5.586 1.00 35.32 H new ATOM 0 HD22 ASN A 55 -12.779 4.983 -5.199 1.00 35.32 H new ATOM 835 N VAL A 56 -9.232 5.552 -4.948 1.00 64.52 N ATOM 836 CA VAL A 56 -9.036 6.511 -3.868 1.00 54.31 C ATOM 837 C VAL A 56 -8.231 7.716 -4.344 1.00 34.10 C ATOM 838 O VAL A 56 -7.344 7.591 -5.188 1.00 74.35 O ATOM 839 CB VAL A 56 -8.316 5.868 -2.669 1.00 13.13 C ATOM 840 CG1 VAL A 56 -6.959 5.324 -3.088 1.00 42.31 C ATOM 841 CG2 VAL A 56 -8.169 6.872 -1.535 1.00 33.13 C ATOM 0 H VAL A 56 -8.488 5.546 -5.646 1.00 64.52 H new ATOM 0 HA VAL A 56 -10.026 6.840 -3.553 1.00 54.31 H new ATOM 0 HB VAL A 56 -8.920 5.034 -2.311 1.00 13.13 H new ATOM 0 HG11 VAL A 56 -6.466 4.874 -2.227 1.00 42.31 H new ATOM 0 HG12 VAL A 56 -7.093 4.571 -3.864 1.00 42.31 H new ATOM 0 HG13 VAL A 56 -6.344 6.137 -3.474 1.00 42.31 H new ATOM 0 HG21 VAL A 56 -7.658 6.401 -0.696 1.00 33.13 H new ATOM 0 HG22 VAL A 56 -7.588 7.727 -1.879 1.00 33.13 H new ATOM 0 HG23 VAL A 56 -9.156 7.208 -1.216 1.00 33.13 H new ATOM 851 N ASP A 57 -8.547 8.884 -3.795 1.00 11.42 N ATOM 852 CA ASP A 57 -7.853 10.113 -4.161 1.00 23.33 C ATOM 853 C ASP A 57 -6.485 10.186 -3.488 1.00 43.52 C ATOM 854 O ASP A 57 -6.276 9.606 -2.424 1.00 35.24 O ATOM 855 CB ASP A 57 -8.690 11.333 -3.774 1.00 32.04 C ATOM 856 CG ASP A 57 -8.420 12.529 -4.666 1.00 73.35 C ATOM 857 OD1 ASP A 57 -7.396 12.516 -5.380 1.00 25.44 O ATOM 858 OD2 ASP A 57 -9.235 13.474 -4.653 1.00 25.43 O ATOM 0 H ASP A 57 -9.279 9.005 -3.095 1.00 11.42 H new ATOM 0 HA ASP A 57 -7.708 10.110 -5.241 1.00 23.33 H new ATOM 0 HB2 ASP A 57 -9.748 11.076 -3.827 1.00 32.04 H new ATOM 0 HB3 ASP A 57 -8.479 11.601 -2.739 1.00 32.04 H new ATOM 863 N GLU A 58 -5.558 10.901 -4.118 1.00 43.31 N ATOM 864 CA GLU A 58 -4.211 11.047 -3.581 1.00 21.44 C ATOM 865 C GLU A 58 -4.221 11.885 -2.306 1.00 14.00 C ATOM 866 O GLU A 58 -3.603 11.521 -1.305 1.00 55.13 O ATOM 867 CB GLU A 58 -3.290 11.690 -4.620 1.00 24.01 C ATOM 868 CG GLU A 58 -1.845 11.808 -4.163 1.00 74.34 C ATOM 869 CD GLU A 58 -0.899 12.139 -5.301 1.00 54.24 C ATOM 870 OE1 GLU A 58 -0.841 13.320 -5.701 1.00 22.22 O ATOM 871 OE2 GLU A 58 -0.216 11.215 -5.791 1.00 51.45 O ATOM 0 H GLU A 58 -5.716 11.388 -5.000 1.00 43.31 H new ATOM 0 HA GLU A 58 -3.835 10.053 -3.339 1.00 21.44 H new ATOM 0 HB2 GLU A 58 -3.325 11.103 -5.537 1.00 24.01 H new ATOM 0 HB3 GLU A 58 -3.668 12.683 -4.863 1.00 24.01 H new ATOM 0 HG2 GLU A 58 -1.772 12.581 -3.398 1.00 74.34 H new ATOM 0 HG3 GLU A 58 -1.537 10.871 -3.700 1.00 74.34 H new ATOM 878 N ASP A 59 -4.927 13.010 -2.351 1.00 73.30 N ATOM 879 CA ASP A 59 -5.020 13.900 -1.200 1.00 3.14 C ATOM 880 C ASP A 59 -5.533 13.153 0.027 1.00 51.31 C ATOM 881 O ASP A 59 -5.251 13.533 1.163 1.00 12.11 O ATOM 882 CB ASP A 59 -5.938 15.082 -1.514 1.00 52.13 C ATOM 883 CG ASP A 59 -6.078 16.035 -0.344 1.00 64.23 C ATOM 884 OD1 ASP A 59 -5.249 16.961 -0.231 1.00 1.02 O ATOM 885 OD2 ASP A 59 -7.017 15.854 0.460 1.00 63.11 O ATOM 0 H ASP A 59 -5.443 13.327 -3.172 1.00 73.30 H new ATOM 0 HA ASP A 59 -4.020 14.275 -0.982 1.00 3.14 H new ATOM 0 HB2 ASP A 59 -5.546 15.624 -2.375 1.00 52.13 H new ATOM 0 HB3 ASP A 59 -6.923 14.709 -1.794 1.00 52.13 H new ATOM 890 N LYS A 60 -6.291 12.087 -0.211 1.00 13.31 N ATOM 891 CA LYS A 60 -6.845 11.285 0.873 1.00 12.34 C ATOM 892 C LYS A 60 -5.817 10.285 1.391 1.00 65.23 C ATOM 893 O LYS A 60 -5.876 9.860 2.544 1.00 50.02 O ATOM 894 CB LYS A 60 -8.098 10.546 0.398 1.00 54.02 C ATOM 895 CG LYS A 60 -9.313 11.444 0.242 1.00 3.11 C ATOM 896 CD LYS A 60 -10.607 10.664 0.399 1.00 13.00 C ATOM 897 CE LYS A 60 -10.818 9.694 -0.753 1.00 44.53 C ATOM 898 NZ LYS A 60 -11.819 8.645 -0.419 1.00 51.54 N ATOM 0 H LYS A 60 -6.535 11.759 -1.145 1.00 13.31 H new ATOM 0 HA LYS A 60 -7.114 11.957 1.688 1.00 12.34 H new ATOM 0 HB2 LYS A 60 -7.886 10.067 -0.558 1.00 54.02 H new ATOM 0 HB3 LYS A 60 -8.332 9.752 1.108 1.00 54.02 H new ATOM 0 HG2 LYS A 60 -9.275 12.241 0.985 1.00 3.11 H new ATOM 0 HG3 LYS A 60 -9.291 11.920 -0.738 1.00 3.11 H new ATOM 0 HD2 LYS A 60 -10.589 10.114 1.340 1.00 13.00 H new ATOM 0 HD3 LYS A 60 -11.447 11.357 0.450 1.00 13.00 H new ATOM 0 HE2 LYS A 60 -11.148 10.244 -1.634 1.00 44.53 H new ATOM 0 HE3 LYS A 60 -9.869 9.222 -1.009 1.00 44.53 H new ATOM 0 HZ1 LYS A 60 -11.934 8.004 -1.230 1.00 51.54 H new ATOM 0 HZ2 LYS A 60 -11.492 8.104 0.407 1.00 51.54 H new ATOM 0 HZ3 LYS A 60 -12.732 9.093 -0.200 1.00 51.54 H new ATOM 912 N ALA A 61 -4.874 9.915 0.530 1.00 32.45 N ATOM 913 CA ALA A 61 -3.830 8.967 0.903 1.00 11.52 C ATOM 914 C ALA A 61 -2.567 9.692 1.356 1.00 61.31 C ATOM 915 O ALA A 61 -1.464 9.156 1.255 1.00 73.15 O ATOM 916 CB ALA A 61 -3.520 8.039 -0.263 1.00 4.25 C ATOM 0 H ALA A 61 -4.811 10.257 -0.429 1.00 32.45 H new ATOM 0 HA ALA A 61 -4.195 8.372 1.740 1.00 11.52 H new ATOM 0 HB1 ALA A 61 -2.739 7.337 0.029 1.00 4.25 H new ATOM 0 HB2 ALA A 61 -4.419 7.488 -0.539 1.00 4.25 H new ATOM 0 HB3 ALA A 61 -3.179 8.627 -1.115 1.00 4.25 H new ATOM 922 N GLN A 62 -2.737 10.912 1.855 1.00 24.32 N ATOM 923 CA GLN A 62 -1.609 11.709 2.322 1.00 10.01 C ATOM 924 C GLN A 62 -1.062 11.161 3.635 1.00 11.22 C ATOM 925 O GLN A 62 0.143 10.945 3.775 1.00 34.14 O ATOM 926 CB GLN A 62 -2.029 13.170 2.500 1.00 31.42 C ATOM 927 CG GLN A 62 -2.370 13.868 1.194 1.00 3.22 C ATOM 928 CD GLN A 62 -1.165 14.528 0.554 1.00 2.44 C ATOM 929 OE1 GLN A 62 -0.819 15.665 0.878 1.00 61.11 O ATOM 930 NE2 GLN A 62 -0.517 13.817 -0.362 1.00 21.25 N ATOM 0 H GLN A 62 -3.644 11.370 1.946 1.00 24.32 H new ATOM 0 HA GLN A 62 -0.821 11.654 1.571 1.00 10.01 H new ATOM 0 HB2 GLN A 62 -2.894 13.213 3.162 1.00 31.42 H new ATOM 0 HB3 GLN A 62 -1.223 13.714 2.993 1.00 31.42 H new ATOM 0 HG2 GLN A 62 -2.795 13.143 0.499 1.00 3.22 H new ATOM 0 HG3 GLN A 62 -3.137 14.620 1.378 1.00 3.22 H new ATOM 0 HE21 GLN A 62 -0.838 12.879 -0.600 1.00 21.25 H new ATOM 0 HE22 GLN A 62 0.302 14.209 -0.827 1.00 21.25 H new ATOM 939 N ASP A 63 -1.953 10.939 4.595 1.00 64.31 N ATOM 940 CA ASP A 63 -1.559 10.414 5.898 1.00 4.22 C ATOM 941 C ASP A 63 -0.806 9.097 5.748 1.00 30.41 C ATOM 942 O ASP A 63 -0.006 8.726 6.608 1.00 1.21 O ATOM 943 CB ASP A 63 -2.789 10.215 6.784 1.00 31.13 C ATOM 944 CG ASP A 63 -3.474 11.524 7.127 1.00 32.23 C ATOM 945 OD1 ASP A 63 -2.965 12.587 6.712 1.00 74.10 O ATOM 946 OD2 ASP A 63 -4.519 11.485 7.809 1.00 1.20 O ATOM 0 H ASP A 63 -2.953 11.114 4.496 1.00 64.31 H new ATOM 0 HA ASP A 63 -0.895 11.139 6.369 1.00 4.22 H new ATOM 0 HB2 ASP A 63 -3.497 9.560 6.276 1.00 31.13 H new ATOM 0 HB3 ASP A 63 -2.493 9.711 7.704 1.00 31.13 H new ATOM 951 N ILE A 64 -1.068 8.392 4.652 1.00 13.12 N ATOM 952 CA ILE A 64 -0.415 7.116 4.391 1.00 44.54 C ATOM 953 C ILE A 64 1.100 7.238 4.511 1.00 4.34 C ATOM 954 O ILE A 64 1.728 8.024 3.801 1.00 2.34 O ATOM 955 CB ILE A 64 -0.766 6.580 2.990 1.00 70.20 C ATOM 956 CG1 ILE A 64 -2.283 6.473 2.827 1.00 51.01 C ATOM 957 CG2 ILE A 64 -0.105 5.229 2.759 1.00 13.43 C ATOM 958 CD1 ILE A 64 -2.935 5.549 3.832 1.00 52.14 C ATOM 0 H ILE A 64 -1.728 8.683 3.931 1.00 13.12 H new ATOM 0 HA ILE A 64 -0.781 6.416 5.142 1.00 44.54 H new ATOM 0 HB ILE A 64 -0.388 7.279 2.244 1.00 70.20 H new ATOM 0 HG12 ILE A 64 -2.721 7.466 2.921 1.00 51.01 H new ATOM 0 HG13 ILE A 64 -2.508 6.119 1.821 1.00 51.01 H new ATOM 0 HG21 ILE A 64 -0.362 4.863 1.765 1.00 13.43 H new ATOM 0 HG22 ILE A 64 0.977 5.335 2.838 1.00 13.43 H new ATOM 0 HG23 ILE A 64 -0.455 4.520 3.509 1.00 13.43 H new ATOM 0 HD11 ILE A 64 -4.011 5.522 3.657 1.00 52.14 H new ATOM 0 HD12 ILE A 64 -2.524 4.545 3.723 1.00 52.14 H new ATOM 0 HD13 ILE A 64 -2.741 5.913 4.841 1.00 52.14 H new ATOM 970 N SER A 65 1.683 6.455 5.413 1.00 52.25 N ATOM 971 CA SER A 65 3.125 6.477 5.628 1.00 30.31 C ATOM 972 C SER A 65 3.701 5.065 5.591 1.00 23.43 C ATOM 973 O SER A 65 4.713 4.811 4.936 1.00 71.03 O ATOM 974 CB SER A 65 3.452 7.139 6.968 1.00 41.13 C ATOM 975 OG SER A 65 3.342 8.549 6.880 1.00 35.32 O ATOM 0 H SER A 65 1.178 5.797 6.007 1.00 52.25 H new ATOM 0 HA SER A 65 3.579 7.057 4.824 1.00 30.31 H new ATOM 0 HB2 SER A 65 2.775 6.765 7.737 1.00 41.13 H new ATOM 0 HB3 SER A 65 4.462 6.868 7.274 1.00 41.13 H new ATOM 0 HG SER A 65 3.554 8.949 7.749 1.00 35.32 H new ATOM 981 N THR A 66 3.050 4.147 6.300 1.00 1.44 N ATOM 982 CA THR A 66 3.497 2.762 6.350 1.00 74.32 C ATOM 983 C THR A 66 2.560 1.853 5.562 1.00 45.53 C ATOM 984 O THR A 66 1.480 2.272 5.143 1.00 21.30 O ATOM 985 CB THR A 66 3.586 2.252 7.801 1.00 54.32 C ATOM 986 OG1 THR A 66 2.270 2.040 8.328 1.00 45.15 O ATOM 987 CG2 THR A 66 4.334 3.244 8.678 1.00 2.44 C ATOM 0 H THR A 66 2.211 4.339 6.847 1.00 1.44 H new ATOM 0 HA THR A 66 4.490 2.734 5.901 1.00 74.32 H new ATOM 0 HB THR A 66 4.132 1.309 7.798 1.00 54.32 H new ATOM 0 HG1 THR A 66 2.335 1.714 9.250 1.00 45.15 H new ATOM 0 HG21 THR A 66 4.384 2.862 9.698 1.00 2.44 H new ATOM 0 HG22 THR A 66 5.344 3.382 8.292 1.00 2.44 H new ATOM 0 HG23 THR A 66 3.811 4.200 8.674 1.00 2.44 H new ATOM 995 N ILE A 67 2.980 0.608 5.362 1.00 5.25 N ATOM 996 CA ILE A 67 2.177 -0.360 4.625 1.00 1.31 C ATOM 997 C ILE A 67 0.778 -0.478 5.218 1.00 34.44 C ATOM 998 O ILE A 67 -0.217 -0.457 4.494 1.00 40.10 O ATOM 999 CB ILE A 67 2.840 -1.751 4.617 1.00 13.43 C ATOM 1000 CG1 ILE A 67 4.255 -1.662 4.043 1.00 20.22 C ATOM 1001 CG2 ILE A 67 1.997 -2.733 3.816 1.00 21.33 C ATOM 1002 CD1 ILE A 67 4.294 -1.230 2.593 1.00 33.14 C ATOM 0 H ILE A 67 3.872 0.246 5.700 1.00 5.25 H new ATOM 0 HA ILE A 67 2.104 0.004 3.600 1.00 1.31 H new ATOM 0 HB ILE A 67 2.908 -2.112 5.643 1.00 13.43 H new ATOM 0 HG12 ILE A 67 4.836 -0.958 4.639 1.00 20.22 H new ATOM 0 HG13 ILE A 67 4.738 -2.635 4.137 1.00 20.22 H new ATOM 0 HG21 ILE A 67 2.477 -3.711 3.819 1.00 21.33 H new ATOM 0 HG22 ILE A 67 1.007 -2.813 4.265 1.00 21.33 H new ATOM 0 HG23 ILE A 67 1.902 -2.378 2.790 1.00 21.33 H new ATOM 0 HD11 ILE A 67 5.329 -1.189 2.253 1.00 33.14 H new ATOM 0 HD12 ILE A 67 3.741 -1.946 1.985 1.00 33.14 H new ATOM 0 HD13 ILE A 67 3.840 -0.244 2.495 1.00 33.14 H new ATOM 1014 N GLN A 68 0.709 -0.602 6.539 1.00 21.34 N ATOM 1015 CA GLN A 68 -0.569 -0.723 7.230 1.00 74.34 C ATOM 1016 C GLN A 68 -1.485 0.447 6.887 1.00 31.53 C ATOM 1017 O GLN A 68 -2.663 0.256 6.585 1.00 0.41 O ATOM 1018 CB GLN A 68 -0.351 -0.790 8.743 1.00 22.35 C ATOM 1019 CG GLN A 68 -0.253 -2.208 9.281 1.00 65.51 C ATOM 1020 CD GLN A 68 -1.596 -2.766 9.706 1.00 70.24 C ATOM 1021 OE1 GLN A 68 -1.880 -2.896 10.897 1.00 70.12 O ATOM 1022 NE2 GLN A 68 -2.433 -3.102 8.730 1.00 1.34 N ATOM 0 H GLN A 68 1.524 -0.621 7.153 1.00 21.34 H new ATOM 0 HA GLN A 68 -1.047 -1.645 6.899 1.00 74.34 H new ATOM 0 HB2 GLN A 68 0.562 -0.251 8.994 1.00 22.35 H new ATOM 0 HB3 GLN A 68 -1.172 -0.276 9.243 1.00 22.35 H new ATOM 0 HG2 GLN A 68 0.178 -2.854 8.516 1.00 65.51 H new ATOM 0 HG3 GLN A 68 0.428 -2.223 10.132 1.00 65.51 H new ATOM 0 HE21 GLN A 68 -2.157 -2.978 7.756 1.00 1.34 H new ATOM 0 HE22 GLN A 68 -3.352 -3.484 8.955 1.00 1.34 H new ATOM 1031 N GLN A 69 -0.936 1.657 6.938 1.00 34.42 N ATOM 1032 CA GLN A 69 -1.706 2.857 6.635 1.00 13.50 C ATOM 1033 C GLN A 69 -2.392 2.736 5.278 1.00 63.44 C ATOM 1034 O GLN A 69 -3.575 3.042 5.140 1.00 74.25 O ATOM 1035 CB GLN A 69 -0.798 4.088 6.652 1.00 71.11 C ATOM 1036 CG GLN A 69 -0.163 4.356 8.006 1.00 4.20 C ATOM 1037 CD GLN A 69 -1.135 4.174 9.154 1.00 74.15 C ATOM 1038 OE1 GLN A 69 -1.996 5.022 9.395 1.00 74.42 O ATOM 1039 NE2 GLN A 69 -1.005 3.063 9.871 1.00 45.21 N ATOM 0 H GLN A 69 0.038 1.832 7.186 1.00 34.42 H new ATOM 0 HA GLN A 69 -2.474 2.969 7.401 1.00 13.50 H new ATOM 0 HB2 GLN A 69 -0.010 3.959 5.910 1.00 71.11 H new ATOM 0 HB3 GLN A 69 -1.378 4.961 6.353 1.00 71.11 H new ATOM 0 HG2 GLN A 69 0.685 3.686 8.144 1.00 4.20 H new ATOM 0 HG3 GLN A 69 0.228 5.373 8.024 1.00 4.20 H new ATOM 0 HE21 GLN A 69 -0.278 2.387 9.637 1.00 45.21 H new ATOM 0 HE22 GLN A 69 -1.632 2.886 10.656 1.00 45.21 H new ATOM 1048 N ALA A 70 -1.639 2.286 4.278 1.00 15.41 N ATOM 1049 CA ALA A 70 -2.176 2.123 2.933 1.00 63.53 C ATOM 1050 C ALA A 70 -3.146 0.948 2.867 1.00 22.25 C ATOM 1051 O ALA A 70 -4.032 0.910 2.016 1.00 15.20 O ATOM 1052 CB ALA A 70 -1.044 1.932 1.934 1.00 71.43 C ATOM 0 H ALA A 70 -0.657 2.028 4.375 1.00 15.41 H new ATOM 0 HA ALA A 70 -2.726 3.028 2.675 1.00 63.53 H new ATOM 0 HB1 ALA A 70 -1.458 1.811 0.933 1.00 71.43 H new ATOM 0 HB2 ALA A 70 -0.391 2.804 1.953 1.00 71.43 H new ATOM 0 HB3 ALA A 70 -0.471 1.043 2.199 1.00 71.43 H new ATOM 1058 N ALA A 71 -2.970 -0.009 3.772 1.00 72.42 N ATOM 1059 CA ALA A 71 -3.831 -1.184 3.818 1.00 74.34 C ATOM 1060 C ALA A 71 -5.204 -0.838 4.384 1.00 3.21 C ATOM 1061 O ALA A 71 -6.228 -1.299 3.881 1.00 41.45 O ATOM 1062 CB ALA A 71 -3.180 -2.284 4.644 1.00 31.23 C ATOM 0 H ALA A 71 -2.239 0.006 4.483 1.00 72.42 H new ATOM 0 HA ALA A 71 -3.968 -1.543 2.798 1.00 74.34 H new ATOM 0 HB1 ALA A 71 -3.834 -3.155 4.670 1.00 31.23 H new ATOM 0 HB2 ALA A 71 -2.226 -2.560 4.195 1.00 31.23 H new ATOM 0 HB3 ALA A 71 -3.013 -1.926 5.660 1.00 31.23 H new ATOM 1068 N ASP A 72 -5.218 -0.023 5.434 1.00 42.24 N ATOM 1069 CA ASP A 72 -6.465 0.386 6.068 1.00 0.01 C ATOM 1070 C ASP A 72 -7.381 1.082 5.066 1.00 72.44 C ATOM 1071 O ASP A 72 -8.584 0.820 5.022 1.00 1.11 O ATOM 1072 CB ASP A 72 -6.182 1.315 7.250 1.00 64.43 C ATOM 1073 CG ASP A 72 -7.340 1.383 8.224 1.00 14.43 C ATOM 1074 OD1 ASP A 72 -7.865 0.314 8.599 1.00 25.23 O ATOM 1075 OD2 ASP A 72 -7.725 2.508 8.610 1.00 72.34 O ATOM 0 H ASP A 72 -4.379 0.367 5.863 1.00 42.24 H new ATOM 0 HA ASP A 72 -6.968 -0.509 6.433 1.00 0.01 H new ATOM 0 HB2 ASP A 72 -5.291 0.970 7.774 1.00 64.43 H new ATOM 0 HB3 ASP A 72 -5.965 2.316 6.877 1.00 64.43 H new ATOM 1080 N VAL A 73 -6.805 1.972 4.265 1.00 71.05 N ATOM 1081 CA VAL A 73 -7.570 2.706 3.263 1.00 41.01 C ATOM 1082 C VAL A 73 -8.189 1.759 2.242 1.00 2.31 C ATOM 1083 O VAL A 73 -9.303 1.985 1.767 1.00 43.01 O ATOM 1084 CB VAL A 73 -6.689 3.733 2.527 1.00 32.13 C ATOM 1085 CG1 VAL A 73 -7.504 4.488 1.488 1.00 71.23 C ATOM 1086 CG2 VAL A 73 -6.052 4.695 3.519 1.00 43.31 C ATOM 0 H VAL A 73 -5.812 2.203 4.290 1.00 71.05 H new ATOM 0 HA VAL A 73 -8.364 3.232 3.793 1.00 41.01 H new ATOM 0 HB VAL A 73 -5.892 3.199 2.010 1.00 32.13 H new ATOM 0 HG11 VAL A 73 -6.865 5.209 0.978 1.00 71.23 H new ATOM 0 HG12 VAL A 73 -7.909 3.784 0.761 1.00 71.23 H new ATOM 0 HG13 VAL A 73 -8.323 5.013 1.979 1.00 71.23 H new ATOM 0 HG21 VAL A 73 -5.433 5.414 2.982 1.00 43.31 H new ATOM 0 HG22 VAL A 73 -6.833 5.225 4.065 1.00 43.31 H new ATOM 0 HG23 VAL A 73 -5.433 4.136 4.221 1.00 43.31 H new ATOM 1096 N ILE A 74 -7.461 0.700 1.908 1.00 73.41 N ATOM 1097 CA ILE A 74 -7.940 -0.282 0.943 1.00 55.14 C ATOM 1098 C ILE A 74 -9.039 -1.152 1.543 1.00 33.04 C ATOM 1099 O ILE A 74 -10.159 -1.195 1.034 1.00 4.51 O ATOM 1100 CB ILE A 74 -6.798 -1.189 0.448 1.00 44.20 C ATOM 1101 CG1 ILE A 74 -5.698 -0.350 -0.204 1.00 5.50 C ATOM 1102 CG2 ILE A 74 -7.330 -2.226 -0.530 1.00 53.15 C ATOM 1103 CD1 ILE A 74 -4.353 -1.041 -0.246 1.00 12.33 C ATOM 0 H ILE A 74 -6.537 0.499 2.291 1.00 73.41 H new ATOM 0 HA ILE A 74 -8.342 0.277 0.098 1.00 55.14 H new ATOM 0 HB ILE A 74 -6.372 -1.711 1.305 1.00 44.20 H new ATOM 0 HG12 ILE A 74 -5.999 -0.098 -1.221 1.00 5.50 H new ATOM 0 HG13 ILE A 74 -5.598 0.589 0.341 1.00 5.50 H new ATOM 0 HG21 ILE A 74 -6.511 -2.859 -0.871 1.00 53.15 H new ATOM 0 HG22 ILE A 74 -8.082 -2.841 -0.035 1.00 53.15 H new ATOM 0 HG23 ILE A 74 -7.779 -1.722 -1.386 1.00 53.15 H new ATOM 0 HD11 ILE A 74 -3.622 -0.387 -0.722 1.00 12.33 H new ATOM 0 HD12 ILE A 74 -4.029 -1.269 0.770 1.00 12.33 H new ATOM 0 HD13 ILE A 74 -4.437 -1.966 -0.816 1.00 12.33 H new ATOM 1115 N GLU A 75 -8.713 -1.843 2.631 1.00 63.12 N ATOM 1116 CA GLU A 75 -9.673 -2.711 3.301 1.00 33.42 C ATOM 1117 C GLU A 75 -10.930 -1.936 3.688 1.00 10.52 C ATOM 1118 O GLU A 75 -12.025 -2.494 3.744 1.00 62.31 O ATOM 1119 CB GLU A 75 -9.045 -3.339 4.547 1.00 33.33 C ATOM 1120 CG GLU A 75 -8.626 -2.322 5.596 1.00 43.35 C ATOM 1121 CD GLU A 75 -9.777 -1.887 6.481 1.00 31.10 C ATOM 1122 OE1 GLU A 75 -10.491 -2.771 7.002 1.00 40.34 O ATOM 1123 OE2 GLU A 75 -9.966 -0.665 6.653 1.00 64.11 O ATOM 0 H GLU A 75 -7.791 -1.818 3.067 1.00 63.12 H new ATOM 0 HA GLU A 75 -9.954 -3.503 2.606 1.00 33.42 H new ATOM 0 HB2 GLU A 75 -9.757 -4.034 4.991 1.00 33.33 H new ATOM 0 HB3 GLU A 75 -8.173 -3.922 4.250 1.00 33.33 H new ATOM 0 HG2 GLU A 75 -7.838 -2.749 6.216 1.00 43.35 H new ATOM 0 HG3 GLU A 75 -8.203 -1.448 5.100 1.00 43.35 H new ATOM 1130 N GLY A 76 -10.762 -0.644 3.955 1.00 52.43 N ATOM 1131 CA GLY A 76 -11.890 0.188 4.333 1.00 64.31 C ATOM 1132 C GLY A 76 -12.828 0.455 3.173 1.00 12.12 C ATOM 1133 O GLY A 76 -14.023 0.685 3.370 1.00 25.35 O ATOM 0 H GLY A 76 -9.866 -0.159 3.916 1.00 52.43 H new ATOM 0 HA2 GLY A 76 -12.442 -0.297 5.138 1.00 64.31 H new ATOM 0 HA3 GLY A 76 -11.523 1.136 4.725 1.00 64.31 H new ATOM 1137 N LEU A 77 -12.289 0.428 1.959 1.00 63.41 N ATOM 1138 CA LEU A 77 -13.086 0.671 0.762 1.00 24.00 C ATOM 1139 C LEU A 77 -13.865 -0.579 0.363 1.00 10.52 C ATOM 1140 O LEU A 77 -15.054 -0.508 0.048 1.00 31.24 O ATOM 1141 CB LEU A 77 -12.185 1.114 -0.393 1.00 33.01 C ATOM 1142 CG LEU A 77 -11.511 2.477 -0.233 1.00 32.02 C ATOM 1143 CD1 LEU A 77 -10.196 2.515 -0.994 1.00 61.23 C ATOM 1144 CD2 LEU A 77 -12.436 3.588 -0.708 1.00 31.34 C ATOM 0 H LEU A 77 -11.303 0.240 1.778 1.00 63.41 H new ATOM 0 HA LEU A 77 -13.799 1.465 0.985 1.00 24.00 H new ATOM 0 HB2 LEU A 77 -11.409 0.361 -0.531 1.00 33.01 H new ATOM 0 HB3 LEU A 77 -12.780 1.130 -1.306 1.00 33.01 H new ATOM 0 HG LEU A 77 -11.300 2.634 0.825 1.00 32.02 H new ATOM 0 HD11 LEU A 77 -9.731 3.493 -0.868 1.00 61.23 H new ATOM 0 HD12 LEU A 77 -9.530 1.744 -0.608 1.00 61.23 H new ATOM 0 HD13 LEU A 77 -10.383 2.336 -2.053 1.00 61.23 H new ATOM 0 HD21 LEU A 77 -11.940 4.551 -0.587 1.00 31.34 H new ATOM 0 HD22 LEU A 77 -12.679 3.435 -1.759 1.00 31.34 H new ATOM 0 HD23 LEU A 77 -13.353 3.575 -0.118 1.00 31.34 H new ATOM 1156 N LEU A 78 -13.189 -1.722 0.381 1.00 71.33 N ATOM 1157 CA LEU A 78 -13.818 -2.989 0.024 1.00 3.22 C ATOM 1158 C LEU A 78 -15.035 -3.259 0.901 1.00 15.44 C ATOM 1159 O LEU A 78 -16.057 -3.755 0.426 1.00 22.43 O ATOM 1160 CB LEU A 78 -12.814 -4.135 0.158 1.00 54.10 C ATOM 1161 CG LEU A 78 -11.830 -4.305 -1.000 1.00 41.22 C ATOM 1162 CD1 LEU A 78 -10.721 -3.268 -0.915 1.00 52.13 C ATOM 1163 CD2 LEU A 78 -11.249 -5.712 -1.005 1.00 33.23 C ATOM 0 H LEU A 78 -12.205 -1.798 0.639 1.00 71.33 H new ATOM 0 HA LEU A 78 -14.148 -2.923 -1.013 1.00 3.22 H new ATOM 0 HB2 LEU A 78 -12.243 -3.986 1.074 1.00 54.10 H new ATOM 0 HB3 LEU A 78 -13.369 -5.066 0.276 1.00 54.10 H new ATOM 0 HG LEU A 78 -12.370 -4.154 -1.935 1.00 41.22 H new ATOM 0 HD11 LEU A 78 -10.030 -3.405 -1.747 1.00 52.13 H new ATOM 0 HD12 LEU A 78 -11.153 -2.268 -0.962 1.00 52.13 H new ATOM 0 HD13 LEU A 78 -10.183 -3.387 0.026 1.00 52.13 H new ATOM 0 HD21 LEU A 78 -10.551 -5.814 -1.836 1.00 33.23 H new ATOM 0 HD22 LEU A 78 -10.725 -5.893 -0.066 1.00 33.23 H new ATOM 0 HD23 LEU A 78 -12.055 -6.438 -1.116 1.00 33.23 H new