USER MOD reduce.3.24.130724 H: found=0, std=0, add=789, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 789 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 GLN :FLIP amide:sc= -0.816 F(o=-4!,f=-3.2) USER MOD Set 1.2: A 24 ASN :FLIP amide:sc= -2.36 F(o=-4.6!,f=-3.2) USER MOD Set 2.1: A 7 SER OG : rot -83:sc= 1.22 USER MOD Set 2.2: A 9 GLN : amide:sc= -0.179 K(o=-1.4,f=-4.8) USER MOD Set 2.3: A 51 THR OG1 : rot 148:sc= -2.42! USER MOD Single : A 1 MET CE :methyl -163:sc= -0.186 (180deg=-0.831) USER MOD Single : A 1 MET N :NH3+ -134:sc= 1.2 (180deg=-0.847) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN :FLIP amide:sc= -0.743 F(o=-3!,f=-0.74) USER MOD Single : A 17 GLN :FLIP amide:sc= -1.75 F(o=-3!,f=-1.7) USER MOD Single : A 23 SER OG : rot -107:sc= 0.388 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 MET CE :methyl 161:sc= -0.0624 (180deg=-0.475) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 82:sc= 1.03 USER MOD Single : A 40 LYS NZ :NH3+ -159:sc= 1 (180deg=0.741) USER MOD Single : A 41 TYR OH : rot 165:sc= 0 USER MOD Single : A 44 THR OG1 : rot 108:sc= -1.21 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= -0.148 (180deg=-0.148) USER MOD Single : A 55 LYS NZ :NH3+ 166:sc= 1.27 (180deg=1.15) USER MOD Single : A 58 ASN : amide:sc= 0.387 X(o=0.39,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 154:sc= 1.11 (180deg=0.18) USER MOD Single : A 64 THR OG1 : rot -150:sc= -0.186 USER MOD Single : A 65 LYS NZ :NH3+ -136:sc= 0.805 (180deg=0.208) USER MOD Single : A 66 ASN : amide:sc= 0.068 K(o=0.068,f=-7.1!) USER MOD Single : A 71 LYS NZ :NH3+ -168:sc= -0.0208 (180deg=-0.183) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.122 X(o=-0.12,f=-0.079) USER MOD Single : A 82 LYS NZ :NH3+ 135:sc= 0.088 (180deg=-1.15!) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -0.0561 X(o=-0.056,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.711 -0.326 1.152 1.00 0.00 N ATOM 2 CA MET A 1 0.537 -0.762 0.460 1.00 52.33 C ATOM 3 C MET A 1 1.401 -1.656 1.366 1.00 13.24 C ATOM 4 O MET A 1 1.234 -1.656 2.585 1.00 24.01 O ATOM 5 CB MET A 1 1.355 0.461 0.021 1.00 25.42 C ATOM 6 CG MET A 1 0.613 1.401 -0.919 1.00 41.42 C ATOM 7 SD MET A 1 1.628 2.795 -1.451 1.00 63.34 S ATOM 8 CE MET A 1 2.075 3.509 0.132 1.00 52.23 C ATOM 0 H1 MET A 1 -1.523 -0.448 0.514 1.00 0.00 H new ATOM 0 H2 MET A 1 -0.853 -0.901 2.007 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.628 0.676 1.419 1.00 0.00 H new ATOM 0 HA MET A 1 0.243 -1.341 -0.415 1.00 52.33 H new ATOM 0 HB2 MET A 1 1.660 1.017 0.907 1.00 25.42 H new ATOM 0 HB3 MET A 1 2.266 0.118 -0.470 1.00 25.42 H new ATOM 0 HG2 MET A 1 0.279 0.844 -1.795 1.00 41.42 H new ATOM 0 HG3 MET A 1 -0.281 1.776 -0.420 1.00 41.42 H new ATOM 0 HE1 MET A 1 2.437 4.526 -0.017 1.00 52.23 H new ATOM 0 HE2 MET A 1 1.201 3.527 0.783 1.00 52.23 H new ATOM 0 HE3 MET A 1 2.859 2.909 0.593 1.00 52.23 H new ATOM 20 N THR A 2 2.325 -2.408 0.756 1.00 65.51 N ATOM 21 CA THR A 2 3.241 -3.303 1.488 1.00 55.22 C ATOM 22 C THR A 2 2.488 -4.406 2.257 1.00 71.01 C ATOM 23 O THR A 2 1.929 -4.164 3.329 1.00 21.44 O ATOM 24 CB THR A 2 4.153 -2.516 2.471 1.00 40.25 C ATOM 25 OG1 THR A 2 4.880 -1.495 1.762 1.00 11.13 O ATOM 26 CG2 THR A 2 5.140 -3.445 3.173 1.00 13.14 C ATOM 0 H THR A 2 2.462 -2.416 -0.255 1.00 65.51 H new ATOM 0 HA THR A 2 3.865 -3.777 0.730 1.00 55.22 H new ATOM 0 HB THR A 2 3.513 -2.056 3.224 1.00 40.25 H new ATOM 0 HG1 THR A 2 5.450 -1.004 2.390 1.00 11.13 H new ATOM 0 HG21 THR A 2 5.764 -2.866 3.854 1.00 13.14 H new ATOM 0 HG22 THR A 2 4.591 -4.200 3.737 1.00 13.14 H new ATOM 0 HG23 THR A 2 5.770 -3.934 2.430 1.00 13.14 H new ATOM 34 N ALA A 3 2.484 -5.621 1.704 1.00 60.35 N ATOM 35 CA ALA A 3 1.780 -6.757 2.319 1.00 11.14 C ATOM 36 C ALA A 3 2.576 -7.370 3.486 1.00 31.42 C ATOM 37 O ALA A 3 2.000 -7.953 4.411 1.00 41.33 O ATOM 38 CB ALA A 3 1.489 -7.817 1.261 1.00 42.45 C ATOM 0 H ALA A 3 2.960 -5.847 0.831 1.00 60.35 H new ATOM 0 HA ALA A 3 0.843 -6.383 2.731 1.00 11.14 H new ATOM 0 HB1 ALA A 3 0.968 -8.657 1.721 1.00 42.45 H new ATOM 0 HB2 ALA A 3 0.865 -7.387 0.478 1.00 42.45 H new ATOM 0 HB3 ALA A 3 2.426 -8.166 0.828 1.00 42.45 H new ATOM 44 N ALA A 4 3.902 -7.247 3.432 1.00 14.23 N ATOM 45 CA ALA A 4 4.775 -7.761 4.494 1.00 71.22 C ATOM 46 C ALA A 4 5.831 -6.722 4.912 1.00 70.54 C ATOM 47 O ALA A 4 6.793 -6.474 4.184 1.00 73.55 O ATOM 48 CB ALA A 4 5.450 -9.049 4.037 1.00 41.31 C ATOM 0 H ALA A 4 4.398 -6.795 2.664 1.00 14.23 H new ATOM 0 HA ALA A 4 4.155 -7.970 5.366 1.00 71.22 H new ATOM 0 HB1 ALA A 4 6.096 -9.423 4.831 1.00 41.31 H new ATOM 0 HB2 ALA A 4 4.690 -9.795 3.805 1.00 41.31 H new ATOM 0 HB3 ALA A 4 6.047 -8.851 3.147 1.00 41.31 H new ATOM 54 N PRO A 5 5.652 -6.079 6.084 1.00 64.42 N ATOM 55 CA PRO A 5 6.640 -5.126 6.623 1.00 44.04 C ATOM 56 C PRO A 5 7.857 -5.818 7.273 1.00 41.34 C ATOM 57 O PRO A 5 8.970 -5.298 7.230 1.00 31.31 O ATOM 58 CB PRO A 5 5.827 -4.357 7.667 1.00 14.22 C ATOM 59 CG PRO A 5 4.817 -5.344 8.151 1.00 3.05 C ATOM 60 CD PRO A 5 4.461 -6.191 6.954 1.00 61.12 C ATOM 0 HA PRO A 5 7.076 -4.501 5.844 1.00 44.04 H new ATOM 0 HB2 PRO A 5 6.459 -4.003 8.481 1.00 14.22 H new ATOM 0 HB3 PRO A 5 5.349 -3.480 7.231 1.00 14.22 H new ATOM 0 HG2 PRO A 5 5.224 -5.956 8.956 1.00 3.05 H new ATOM 0 HG3 PRO A 5 3.936 -4.839 8.548 1.00 3.05 H new ATOM 0 HD2 PRO A 5 4.267 -7.225 7.238 1.00 61.12 H new ATOM 0 HD3 PRO A 5 3.564 -5.824 6.455 1.00 61.12 H new ATOM 68 N ALA A 6 7.626 -6.983 7.885 1.00 1.20 N ATOM 69 CA ALA A 6 8.692 -7.790 8.505 1.00 23.22 C ATOM 70 C ALA A 6 9.355 -7.104 9.720 1.00 10.13 C ATOM 71 O ALA A 6 9.076 -7.457 10.866 1.00 3.10 O ATOM 72 CB ALA A 6 9.746 -8.181 7.468 1.00 13.52 C ATOM 0 H ALA A 6 6.697 -7.397 7.967 1.00 1.20 H new ATOM 0 HA ALA A 6 8.209 -8.690 8.887 1.00 23.22 H new ATOM 0 HB1 ALA A 6 10.524 -8.776 7.946 1.00 13.52 H new ATOM 0 HB2 ALA A 6 9.278 -8.765 6.676 1.00 13.52 H new ATOM 0 HB3 ALA A 6 10.189 -7.281 7.042 1.00 13.52 H new ATOM 78 N SER A 7 10.227 -6.125 9.467 1.00 62.31 N ATOM 79 CA SER A 7 11.030 -5.503 10.540 1.00 52.52 C ATOM 80 C SER A 7 10.274 -4.351 11.237 1.00 10.01 C ATOM 81 O SER A 7 9.772 -3.433 10.577 1.00 63.33 O ATOM 82 CB SER A 7 12.372 -5.003 9.982 1.00 72.11 C ATOM 83 OG SER A 7 13.281 -4.700 11.030 1.00 10.11 O ATOM 0 H SER A 7 10.399 -5.743 8.537 1.00 62.31 H new ATOM 0 HA SER A 7 11.218 -6.269 11.292 1.00 52.52 H new ATOM 0 HB2 SER A 7 12.804 -5.762 9.330 1.00 72.11 H new ATOM 0 HB3 SER A 7 12.207 -4.115 9.371 1.00 72.11 H new ATOM 0 HG SER A 7 13.106 -3.795 11.363 1.00 10.11 H new ATOM 89 N PRO A 8 10.214 -4.378 12.591 1.00 23.20 N ATOM 90 CA PRO A 8 9.378 -3.455 13.404 1.00 44.41 C ATOM 91 C PRO A 8 9.565 -1.949 13.121 1.00 40.42 C ATOM 92 O PRO A 8 8.620 -1.171 13.272 1.00 60.21 O ATOM 93 CB PRO A 8 9.802 -3.779 14.843 1.00 14.40 C ATOM 94 CG PRO A 8 10.265 -5.193 14.781 1.00 14.51 C ATOM 95 CD PRO A 8 10.951 -5.333 13.450 1.00 54.33 C ATOM 0 HA PRO A 8 8.324 -3.613 13.176 1.00 44.41 H new ATOM 0 HB2 PRO A 8 10.597 -3.115 15.183 1.00 14.40 H new ATOM 0 HB3 PRO A 8 8.971 -3.663 15.538 1.00 14.40 H new ATOM 0 HG2 PRO A 8 10.948 -5.419 15.600 1.00 14.51 H new ATOM 0 HG3 PRO A 8 9.427 -5.885 14.865 1.00 14.51 H new ATOM 0 HD2 PRO A 8 12.010 -5.083 13.514 1.00 54.33 H new ATOM 0 HD3 PRO A 8 10.886 -6.352 13.068 1.00 54.33 H new ATOM 103 N GLN A 9 10.764 -1.531 12.713 1.00 10.54 N ATOM 104 CA GLN A 9 11.041 -0.098 12.490 1.00 71.24 C ATOM 105 C GLN A 9 10.133 0.486 11.402 1.00 31.12 C ATOM 106 O GLN A 9 9.662 1.622 11.499 1.00 24.33 O ATOM 107 CB GLN A 9 12.515 0.131 12.109 1.00 41.22 C ATOM 108 CG GLN A 9 13.502 -0.307 13.185 1.00 55.43 C ATOM 109 CD GLN A 9 13.743 -1.803 13.192 1.00 1.23 C ATOM 110 OE1 GLN A 9 13.731 -2.447 12.150 1.00 34.30 O ATOM 111 NE2 GLN A 9 13.922 -2.372 14.364 1.00 33.11 N ATOM 0 H GLN A 9 11.554 -2.149 12.530 1.00 10.54 H new ATOM 0 HA GLN A 9 10.834 0.415 13.429 1.00 71.24 H new ATOM 0 HB2 GLN A 9 12.731 -0.411 11.188 1.00 41.22 H new ATOM 0 HB3 GLN A 9 12.666 1.190 11.899 1.00 41.22 H new ATOM 0 HG2 GLN A 9 14.450 0.208 13.032 1.00 55.43 H new ATOM 0 HG3 GLN A 9 13.127 -0.000 14.161 1.00 55.43 H new ATOM 0 HE21 GLN A 9 13.926 -1.804 15.211 1.00 33.11 H new ATOM 0 HE22 GLN A 9 14.057 -3.381 14.426 1.00 33.11 H new ATOM 120 N GLN A 10 9.882 -0.311 10.379 1.00 72.25 N ATOM 121 CA GLN A 10 9.035 0.093 9.258 1.00 73.11 C ATOM 122 C GLN A 10 7.560 0.241 9.681 1.00 55.21 C ATOM 123 O GLN A 10 6.832 1.080 9.148 1.00 71.20 O ATOM 124 CB GLN A 10 9.203 -0.922 8.124 1.00 55.23 C ATOM 125 CG GLN A 10 10.622 -0.924 7.539 1.00 4.51 C ATOM 126 CD GLN A 10 11.016 -2.245 6.901 1.00 11.03 C ATOM 127 OE1 GLN A 10 10.580 -3.340 7.483 1.00 13.14 O flip ATOM 128 NE2 GLN A 10 11.756 -2.284 5.925 1.00 1.30 N flip ATOM 0 H GLN A 10 10.256 -1.256 10.297 1.00 72.25 H new ATOM 0 HA GLN A 10 9.347 1.077 8.907 1.00 73.11 H new ATOM 0 HB2 GLN A 10 8.966 -1.919 8.496 1.00 55.23 H new ATOM 0 HB3 GLN A 10 8.488 -0.698 7.332 1.00 55.23 H new ATOM 0 HG2 GLN A 10 10.699 -0.133 6.793 1.00 4.51 H new ATOM 0 HG3 GLN A 10 11.333 -0.686 8.331 1.00 4.51 H new ATOM 0 HE21 GLN A 10 12.078 -1.417 5.494 1.00 1.30 H new ATOM 0 HE22 GLN A 10 12.050 -3.183 5.543 1.00 1.30 H new ATOM 137 N ILE A 11 7.128 -0.565 10.654 1.00 41.14 N ATOM 138 CA ILE A 11 5.767 -0.455 11.200 1.00 22.11 C ATOM 139 C ILE A 11 5.546 0.924 11.846 1.00 22.35 C ATOM 140 O ILE A 11 4.485 1.535 11.684 1.00 64.23 O ATOM 141 CB ILE A 11 5.468 -1.572 12.247 1.00 42.45 C ATOM 142 CG1 ILE A 11 5.335 -2.953 11.570 1.00 41.52 C ATOM 143 CG2 ILE A 11 4.203 -1.249 13.045 1.00 13.24 C ATOM 144 CD1 ILE A 11 6.623 -3.493 10.987 1.00 41.44 C ATOM 0 H ILE A 11 7.695 -1.298 11.080 1.00 41.14 H new ATOM 0 HA ILE A 11 5.080 -0.578 10.362 1.00 22.11 H new ATOM 0 HB ILE A 11 6.312 -1.610 12.936 1.00 42.45 H new ATOM 0 HG12 ILE A 11 4.955 -3.667 12.301 1.00 41.52 H new ATOM 0 HG13 ILE A 11 4.592 -2.884 10.775 1.00 41.52 H new ATOM 0 HG21 ILE A 11 4.016 -2.043 13.768 1.00 13.24 H new ATOM 0 HG22 ILE A 11 4.336 -0.303 13.571 1.00 13.24 H new ATOM 0 HG23 ILE A 11 3.354 -1.170 12.366 1.00 13.24 H new ATOM 0 HD11 ILE A 11 6.437 -4.466 10.532 1.00 41.44 H new ATOM 0 HD12 ILE A 11 6.997 -2.804 10.230 1.00 41.44 H new ATOM 0 HD13 ILE A 11 7.365 -3.599 11.779 1.00 41.44 H new ATOM 156 N ARG A 12 6.560 1.419 12.565 1.00 74.51 N ATOM 157 CA ARG A 12 6.480 2.734 13.217 1.00 64.23 C ATOM 158 C ARG A 12 6.193 3.849 12.198 1.00 41.20 C ATOM 159 O ARG A 12 5.314 4.686 12.410 1.00 64.21 O ATOM 160 CB ARG A 12 7.783 3.040 13.975 1.00 34.31 C ATOM 161 CG ARG A 12 7.808 4.427 14.614 1.00 42.44 C ATOM 162 CD ARG A 12 9.059 4.658 15.458 1.00 72.51 C ATOM 163 NE ARG A 12 10.297 4.549 14.678 1.00 32.04 N ATOM 164 CZ ARG A 12 11.496 4.647 15.196 1.00 63.20 C ATOM 165 NH1 ARG A 12 11.648 4.818 16.471 1.00 43.13 N1+ ATOM 166 NH2 ARG A 12 12.541 4.543 14.437 1.00 33.01 N ATOM 0 H ARG A 12 7.444 0.931 12.711 1.00 74.51 H new ATOM 0 HA ARG A 12 5.653 2.700 13.927 1.00 64.23 H new ATOM 0 HB2 ARG A 12 7.927 2.289 14.752 1.00 34.31 H new ATOM 0 HB3 ARG A 12 8.623 2.951 13.286 1.00 34.31 H new ATOM 0 HG2 ARG A 12 7.756 5.185 13.832 1.00 42.44 H new ATOM 0 HG3 ARG A 12 6.924 4.552 15.239 1.00 42.44 H new ATOM 0 HD2 ARG A 12 9.007 5.647 15.913 1.00 72.51 H new ATOM 0 HD3 ARG A 12 9.082 3.933 16.272 1.00 72.51 H new ATOM 0 HE ARG A 12 10.219 4.387 13.674 1.00 32.04 H new ATOM 0 HH11 ARG A 12 10.831 4.877 17.079 1.00 43.13 H new ATOM 0 HH12 ARG A 12 12.585 4.893 16.867 1.00 43.13 H new ATOM 0 HH21 ARG A 12 12.430 4.385 13.435 1.00 33.01 H new ATOM 0 HH22 ARG A 12 13.474 4.619 14.841 1.00 33.01 H new ATOM 180 N ASP A 13 6.919 3.836 11.083 1.00 13.25 N ATOM 181 CA ASP A 13 6.729 4.832 10.022 1.00 52.32 C ATOM 182 C ASP A 13 5.278 4.826 9.512 1.00 54.22 C ATOM 183 O ASP A 13 4.678 5.883 9.279 1.00 13.22 O ATOM 184 CB ASP A 13 7.697 4.558 8.865 1.00 72.23 C ATOM 185 CG ASP A 13 7.590 5.597 7.759 1.00 55.21 C ATOM 186 OD1 ASP A 13 6.919 5.324 6.737 1.00 34.22 O ATOM 187 OD2 ASP A 13 8.168 6.696 7.916 1.00 75.10 O1- ATOM 0 H ASP A 13 7.646 3.148 10.887 1.00 13.25 H new ATOM 0 HA ASP A 13 6.938 5.818 10.438 1.00 52.32 H new ATOM 0 HB2 ASP A 13 8.718 4.541 9.246 1.00 72.23 H new ATOM 0 HB3 ASP A 13 7.494 3.570 8.452 1.00 72.23 H new ATOM 192 N ARG A 14 4.715 3.626 9.363 1.00 11.41 N ATOM 193 CA ARG A 14 3.338 3.469 8.890 1.00 75.31 C ATOM 194 C ARG A 14 2.322 3.959 9.936 1.00 11.02 C ATOM 195 O ARG A 14 1.253 4.456 9.589 1.00 52.43 O ATOM 196 CB ARG A 14 3.052 2.005 8.529 1.00 14.25 C ATOM 197 CG ARG A 14 4.080 1.386 7.579 1.00 72.33 C ATOM 198 CD ARG A 14 3.449 0.326 6.683 1.00 44.13 C ATOM 199 NE ARG A 14 2.481 0.926 5.770 1.00 1.31 N ATOM 200 CZ ARG A 14 1.494 0.294 5.199 1.00 11.01 C ATOM 201 NH1 ARG A 14 1.295 -0.970 5.404 1.00 45.42 N1+ ATOM 202 NH2 ARG A 14 0.701 0.941 4.415 1.00 72.23 N ATOM 0 H ARG A 14 5.192 2.747 9.563 1.00 11.41 H new ATOM 0 HA ARG A 14 3.229 4.084 7.996 1.00 75.31 H new ATOM 0 HB2 ARG A 14 3.018 1.416 9.445 1.00 14.25 H new ATOM 0 HB3 ARG A 14 2.065 1.940 8.072 1.00 14.25 H new ATOM 0 HG2 ARG A 14 4.523 2.168 6.962 1.00 72.33 H new ATOM 0 HG3 ARG A 14 4.889 0.940 8.158 1.00 72.33 H new ATOM 0 HD2 ARG A 14 4.226 -0.183 6.113 1.00 44.13 H new ATOM 0 HD3 ARG A 14 2.957 -0.429 7.296 1.00 44.13 H new ATOM 0 HE ARG A 14 2.585 1.919 5.562 1.00 1.31 H new ATOM 0 HH11 ARG A 14 1.917 -1.490 6.023 1.00 45.42 H new ATOM 0 HH12 ARG A 14 0.516 -1.444 4.947 1.00 45.42 H new ATOM 0 HH21 ARG A 14 0.849 1.936 4.247 1.00 72.23 H new ATOM 0 HH22 ARG A 14 -0.075 0.458 3.962 1.00 72.23 H new ATOM 216 N LEU A 15 2.656 3.804 11.212 1.00 64.02 N ATOM 217 CA LEU A 15 1.795 4.290 12.297 1.00 73.54 C ATOM 218 C LEU A 15 1.693 5.827 12.278 1.00 42.44 C ATOM 219 O LEU A 15 0.599 6.394 12.298 1.00 75.35 O ATOM 220 CB LEU A 15 2.342 3.819 13.655 1.00 43.15 C ATOM 221 CG LEU A 15 1.504 4.224 14.881 1.00 65.43 C ATOM 222 CD1 LEU A 15 0.127 3.562 14.847 1.00 45.34 C ATOM 223 CD2 LEU A 15 2.241 3.886 16.176 1.00 64.01 C ATOM 0 H LEU A 15 3.513 3.348 11.525 1.00 64.02 H new ATOM 0 HA LEU A 15 0.797 3.879 12.147 1.00 73.54 H new ATOM 0 HB2 LEU A 15 2.426 2.732 13.637 1.00 43.15 H new ATOM 0 HB3 LEU A 15 3.350 4.215 13.778 1.00 43.15 H new ATOM 0 HG LEU A 15 1.356 5.303 14.847 1.00 65.43 H new ATOM 0 HD11 LEU A 15 -0.444 3.865 15.724 1.00 45.34 H new ATOM 0 HD12 LEU A 15 -0.402 3.870 13.945 1.00 45.34 H new ATOM 0 HD13 LEU A 15 0.244 2.478 14.847 1.00 45.34 H new ATOM 0 HD21 LEU A 15 1.631 4.181 17.030 1.00 64.01 H new ATOM 0 HD22 LEU A 15 2.430 2.813 16.218 1.00 64.01 H new ATOM 0 HD23 LEU A 15 3.189 4.423 16.206 1.00 64.01 H new ATOM 235 N LEU A 16 2.844 6.489 12.210 1.00 2.25 N ATOM 236 CA LEU A 16 2.912 7.957 12.266 1.00 74.51 C ATOM 237 C LEU A 16 2.223 8.640 11.068 1.00 70.04 C ATOM 238 O LEU A 16 1.782 9.782 11.179 1.00 2.32 O ATOM 239 CB LEU A 16 4.373 8.429 12.384 1.00 0.12 C ATOM 240 CG LEU A 16 4.959 8.421 13.811 1.00 50.05 C ATOM 241 CD1 LEU A 16 4.179 9.371 14.720 1.00 2.14 C ATOM 242 CD2 LEU A 16 4.977 7.008 14.397 1.00 43.52 C ATOM 0 H LEU A 16 3.752 6.034 12.115 1.00 2.25 H new ATOM 0 HA LEU A 16 2.362 8.257 13.158 1.00 74.51 H new ATOM 0 HB2 LEU A 16 4.994 7.795 11.751 1.00 0.12 H new ATOM 0 HB3 LEU A 16 4.443 9.442 11.987 1.00 0.12 H new ATOM 0 HG LEU A 16 5.990 8.770 13.749 1.00 50.05 H new ATOM 0 HD11 LEU A 16 4.608 9.351 15.722 1.00 2.14 H new ATOM 0 HD12 LEU A 16 4.235 10.384 14.322 1.00 2.14 H new ATOM 0 HD13 LEU A 16 3.136 9.057 14.766 1.00 2.14 H new ATOM 0 HD21 LEU A 16 5.396 7.037 15.403 1.00 43.52 H new ATOM 0 HD22 LEU A 16 3.960 6.618 14.438 1.00 43.52 H new ATOM 0 HD23 LEU A 16 5.588 6.361 13.768 1.00 43.52 H new ATOM 254 N GLN A 17 2.159 7.975 9.914 1.00 12.12 N ATOM 255 CA GLN A 17 1.467 8.554 8.747 1.00 41.25 C ATOM 256 C GLN A 17 -0.064 8.435 8.885 1.00 42.25 C ATOM 257 O GLN A 17 -0.818 9.110 8.183 1.00 32.22 O ATOM 258 CB GLN A 17 1.963 7.903 7.437 1.00 1.40 C ATOM 259 CG GLN A 17 1.709 6.398 7.321 1.00 11.22 C ATOM 260 CD GLN A 17 0.320 6.045 6.802 1.00 52.23 C ATOM 261 OE1 GLN A 17 -0.226 4.939 7.265 1.00 21.34 O flip ATOM 262 NE2 GLN A 17 -0.267 6.769 6.004 1.00 4.04 N flip ATOM 0 H GLN A 17 2.567 7.053 9.756 1.00 12.12 H new ATOM 0 HA GLN A 17 1.709 9.616 8.708 1.00 41.25 H new ATOM 0 HB2 GLN A 17 1.481 8.403 6.597 1.00 1.40 H new ATOM 0 HB3 GLN A 17 3.034 8.083 7.343 1.00 1.40 H new ATOM 0 HG2 GLN A 17 2.456 5.963 6.657 1.00 11.22 H new ATOM 0 HG3 GLN A 17 1.848 5.939 8.300 1.00 11.22 H new ATOM 0 HE21 GLN A 17 0.180 7.620 5.662 1.00 4.04 H new ATOM 0 HE22 GLN A 17 -1.202 6.520 5.682 1.00 4.04 H new ATOM 271 N ALA A 18 -0.513 7.580 9.804 1.00 22.11 N ATOM 272 CA ALA A 18 -1.946 7.363 10.039 1.00 23.54 C ATOM 273 C ALA A 18 -2.489 8.249 11.173 1.00 30.32 C ATOM 274 O ALA A 18 -3.680 8.582 11.205 1.00 70.24 O ATOM 275 CB ALA A 18 -2.198 5.894 10.360 1.00 51.42 C ATOM 0 H ALA A 18 0.096 7.022 10.402 1.00 22.11 H new ATOM 0 HA ALA A 18 -2.476 7.640 9.128 1.00 23.54 H new ATOM 0 HB1 ALA A 18 -3.263 5.737 10.534 1.00 51.42 H new ATOM 0 HB2 ALA A 18 -1.872 5.277 9.522 1.00 51.42 H new ATOM 0 HB3 ALA A 18 -1.640 5.616 11.254 1.00 51.42 H new ATOM 281 N ILE A 19 -1.611 8.632 12.099 1.00 1.04 N ATOM 282 CA ILE A 19 -2.015 9.387 13.297 1.00 44.54 C ATOM 283 C ILE A 19 -1.072 10.570 13.584 1.00 31.01 C ATOM 284 O ILE A 19 0.012 10.673 13.009 1.00 51.12 O ATOM 285 CB ILE A 19 -2.045 8.470 14.553 1.00 40.11 C ATOM 286 CG1 ILE A 19 -0.622 8.029 14.942 1.00 71.23 C ATOM 287 CG2 ILE A 19 -2.933 7.252 14.310 1.00 33.54 C ATOM 288 CD1 ILE A 19 -0.556 7.191 16.205 1.00 2.03 C ATOM 0 H ILE A 19 -0.612 8.434 12.047 1.00 1.04 H new ATOM 0 HA ILE A 19 -3.014 9.771 13.089 1.00 44.54 H new ATOM 0 HB ILE A 19 -2.464 9.043 15.380 1.00 40.11 H new ATOM 0 HG12 ILE A 19 -0.192 7.459 14.118 1.00 71.23 H new ATOM 0 HG13 ILE A 19 -0.002 8.916 15.074 1.00 71.23 H new ATOM 0 HG21 ILE A 19 -2.940 6.624 15.201 1.00 33.54 H new ATOM 0 HG22 ILE A 19 -3.949 7.580 14.089 1.00 33.54 H new ATOM 0 HG23 ILE A 19 -2.545 6.681 13.466 1.00 33.54 H new ATOM 0 HD11 ILE A 19 0.480 6.922 16.409 1.00 2.03 H new ATOM 0 HD12 ILE A 19 -0.954 7.764 17.043 1.00 2.03 H new ATOM 0 HD13 ILE A 19 -1.147 6.285 16.072 1.00 2.03 H new ATOM 300 N ASP A 20 -1.503 11.471 14.466 1.00 30.42 N ATOM 301 CA ASP A 20 -0.630 12.534 14.973 1.00 45.33 C ATOM 302 C ASP A 20 0.316 11.990 16.055 1.00 62.34 C ATOM 303 O ASP A 20 -0.049 11.084 16.810 1.00 73.21 O ATOM 304 CB ASP A 20 -1.459 13.683 15.564 1.00 65.14 C ATOM 305 CG ASP A 20 -2.173 14.494 14.505 1.00 25.11 C ATOM 306 OD1 ASP A 20 -3.286 14.109 14.106 1.00 23.43 O ATOM 307 OD2 ASP A 20 -1.620 15.529 14.069 1.00 53.44 O1- ATOM 0 H ASP A 20 -2.450 11.488 14.845 1.00 30.42 H new ATOM 0 HA ASP A 20 -0.043 12.907 14.134 1.00 45.33 H new ATOM 0 HB2 ASP A 20 -2.193 13.276 16.260 1.00 65.14 H new ATOM 0 HB3 ASP A 20 -0.805 14.339 16.138 1.00 65.14 H new ATOM 312 N PRO A 21 1.544 12.539 16.157 1.00 72.51 N ATOM 313 CA PRO A 21 2.482 12.185 17.237 1.00 64.34 C ATOM 314 C PRO A 21 1.843 12.286 18.637 1.00 13.32 C ATOM 315 O PRO A 21 2.314 11.668 19.592 1.00 55.51 O ATOM 316 CB PRO A 21 3.611 13.215 17.072 1.00 42.53 C ATOM 317 CG PRO A 21 3.577 13.581 15.624 1.00 25.05 C ATOM 318 CD PRO A 21 2.127 13.519 15.217 1.00 51.43 C ATOM 0 HA PRO A 21 2.817 11.150 17.165 1.00 64.34 H new ATOM 0 HB2 PRO A 21 3.448 14.087 17.705 1.00 42.53 H new ATOM 0 HB3 PRO A 21 4.576 12.794 17.352 1.00 42.53 H new ATOM 0 HG2 PRO A 21 3.986 14.579 15.463 1.00 25.05 H new ATOM 0 HG3 PRO A 21 4.179 12.891 15.032 1.00 25.05 H new ATOM 0 HD2 PRO A 21 1.645 14.493 15.303 1.00 51.43 H new ATOM 0 HD3 PRO A 21 2.015 13.197 14.182 1.00 51.43 H new ATOM 326 N GLN A 22 0.757 13.058 18.745 1.00 40.13 N ATOM 327 CA GLN A 22 0.019 13.202 20.007 1.00 71.32 C ATOM 328 C GLN A 22 -1.003 12.050 20.197 1.00 65.12 C ATOM 329 O GLN A 22 -1.951 12.160 20.975 1.00 61.45 O ATOM 330 CB GLN A 22 -0.661 14.590 20.040 1.00 13.23 C ATOM 331 CG GLN A 22 -0.835 15.181 21.445 1.00 60.54 C ATOM 332 CD GLN A 22 -2.103 14.735 22.162 1.00 44.52 C ATOM 333 OE1 GLN A 22 -3.194 14.601 21.432 1.00 2.54 O flip ATOM 334 NE2 GLN A 22 -2.113 14.556 23.375 1.00 54.35 N flip ATOM 0 H GLN A 22 0.367 13.596 17.971 1.00 40.13 H new ATOM 0 HA GLN A 22 0.716 13.135 20.843 1.00 71.32 H new ATOM 0 HB2 GLN A 22 -0.073 15.283 19.439 1.00 13.23 H new ATOM 0 HB3 GLN A 22 -1.641 14.512 19.569 1.00 13.23 H new ATOM 0 HG2 GLN A 22 0.027 14.905 22.052 1.00 60.54 H new ATOM 0 HG3 GLN A 22 -0.837 16.268 21.371 1.00 60.54 H new ATOM 0 HE21 GLN A 22 -1.254 14.667 23.914 1.00 54.35 H new ATOM 0 HE22 GLN A 22 -2.980 14.296 23.845 1.00 54.35 H new ATOM 343 N SER A 23 -0.794 10.943 19.475 1.00 61.41 N ATOM 344 CA SER A 23 -1.555 9.690 19.676 1.00 61.12 C ATOM 345 C SER A 23 -3.049 9.799 19.322 1.00 54.21 C ATOM 346 O SER A 23 -3.868 9.038 19.837 1.00 3.23 O ATOM 347 CB SER A 23 -1.403 9.202 21.128 1.00 22.54 C ATOM 348 OG SER A 23 -0.100 8.699 21.374 1.00 31.43 O ATOM 0 H SER A 23 -0.095 10.884 18.734 1.00 61.41 H new ATOM 0 HA SER A 23 -1.125 8.968 18.982 1.00 61.12 H new ATOM 0 HB2 SER A 23 -1.612 10.024 21.813 1.00 22.54 H new ATOM 0 HB3 SER A 23 -2.139 8.424 21.330 1.00 22.54 H new ATOM 0 HG SER A 23 -0.134 7.722 21.442 1.00 31.43 H new ATOM 354 N ASN A 24 -3.407 10.720 18.435 1.00 60.42 N ATOM 355 CA ASN A 24 -4.799 10.830 17.965 1.00 73.20 C ATOM 356 C ASN A 24 -4.932 10.443 16.478 1.00 23.23 C ATOM 357 O ASN A 24 -4.052 10.729 15.666 1.00 33.11 O ATOM 358 CB ASN A 24 -5.346 12.236 18.238 1.00 52.42 C ATOM 359 CG ASN A 24 -4.400 13.325 17.784 1.00 64.21 C ATOM 360 OD1 ASN A 24 -3.436 13.655 18.621 1.00 54.31 O flip ATOM 361 ND2 ASN A 24 -4.526 13.859 16.694 1.00 63.31 N flip ATOM 0 H ASN A 24 -2.766 11.399 18.025 1.00 60.42 H new ATOM 0 HA ASN A 24 -5.403 10.118 18.527 1.00 73.20 H new ATOM 0 HB2 ASN A 24 -6.303 12.355 17.729 1.00 52.42 H new ATOM 0 HB3 ASN A 24 -5.537 12.347 19.305 1.00 52.42 H new ATOM 0 HD21 ASN A 24 -5.284 13.577 16.073 1.00 63.31 H new ATOM 0 HD22 ASN A 24 -3.873 14.587 16.404 1.00 63.31 H new ATOM 368 N ILE A 25 -6.046 9.796 16.137 1.00 20.44 N ATOM 369 CA ILE A 25 -6.240 9.197 14.806 1.00 63.03 C ATOM 370 C ILE A 25 -6.625 10.229 13.725 1.00 42.31 C ATOM 371 O ILE A 25 -7.568 11.003 13.900 1.00 11.23 O ATOM 372 CB ILE A 25 -7.352 8.111 14.852 1.00 43.11 C ATOM 373 CG1 ILE A 25 -7.071 7.075 15.957 1.00 31.42 C ATOM 374 CG2 ILE A 25 -7.496 7.424 13.493 1.00 0.35 C ATOM 375 CD1 ILE A 25 -5.821 6.253 15.734 1.00 13.32 C ATOM 0 H ILE A 25 -6.838 9.670 16.767 1.00 20.44 H new ATOM 0 HA ILE A 25 -5.278 8.761 14.537 1.00 63.03 H new ATOM 0 HB ILE A 25 -8.294 8.607 15.087 1.00 43.11 H new ATOM 0 HG12 ILE A 25 -6.986 7.593 16.912 1.00 31.42 H new ATOM 0 HG13 ILE A 25 -7.925 6.403 16.035 1.00 31.42 H new ATOM 0 HG21 ILE A 25 -8.279 6.668 13.549 1.00 0.35 H new ATOM 0 HG22 ILE A 25 -7.759 8.164 12.737 1.00 0.35 H new ATOM 0 HG23 ILE A 25 -6.552 6.949 13.223 1.00 0.35 H new ATOM 0 HD11 ILE A 25 -5.697 5.549 16.557 1.00 13.32 H new ATOM 0 HD12 ILE A 25 -5.909 5.704 14.797 1.00 13.32 H new ATOM 0 HD13 ILE A 25 -4.955 6.913 15.688 1.00 13.32 H new ATOM 387 N ARG A 26 -5.892 10.227 12.604 1.00 24.14 N ATOM 388 CA ARG A 26 -6.301 10.977 11.406 1.00 71.11 C ATOM 389 C ARG A 26 -6.977 10.046 10.387 1.00 31.02 C ATOM 390 O ARG A 26 -8.006 10.383 9.802 1.00 24.02 O ATOM 391 CB ARG A 26 -5.097 11.653 10.727 1.00 54.44 C ATOM 392 CG ARG A 26 -4.509 12.830 11.495 1.00 61.11 C ATOM 393 CD ARG A 26 -3.459 13.565 10.663 1.00 52.41 C ATOM 394 NE ARG A 26 -2.875 14.694 11.380 1.00 43.20 N ATOM 395 CZ ARG A 26 -2.198 15.660 10.819 1.00 42.20 C ATOM 396 NH1 ARG A 26 -2.033 15.698 9.535 1.00 2.11 N1+ ATOM 397 NH2 ARG A 26 -1.691 16.596 11.551 1.00 12.23 N ATOM 0 H ARG A 26 -5.015 9.716 12.500 1.00 24.14 H new ATOM 0 HA ARG A 26 -7.004 11.743 11.735 1.00 71.11 H new ATOM 0 HB2 ARG A 26 -4.316 10.908 10.578 1.00 54.44 H new ATOM 0 HB3 ARG A 26 -5.401 11.998 9.739 1.00 54.44 H new ATOM 0 HG2 ARG A 26 -5.305 13.521 11.772 1.00 61.11 H new ATOM 0 HG3 ARG A 26 -4.058 12.474 12.422 1.00 61.11 H new ATOM 0 HD2 ARG A 26 -2.669 12.869 10.381 1.00 52.41 H new ATOM 0 HD3 ARG A 26 -3.915 13.921 9.739 1.00 52.41 H new ATOM 0 HE ARG A 26 -3.005 14.731 12.391 1.00 43.20 H new ATOM 0 HH11 ARG A 26 -2.434 14.967 8.947 1.00 2.11 H new ATOM 0 HH12 ARG A 26 -1.502 16.459 9.111 1.00 2.11 H new ATOM 0 HH21 ARG A 26 -1.820 16.579 12.563 1.00 12.23 H new ATOM 0 HH22 ARG A 26 -1.162 17.352 11.117 1.00 12.23 H new ATOM 411 N ASN A 27 -6.389 8.866 10.189 1.00 51.44 N ATOM 412 CA ASN A 27 -6.863 7.912 9.177 1.00 24.25 C ATOM 413 C ASN A 27 -6.986 6.493 9.753 1.00 33.10 C ATOM 414 O ASN A 27 -5.993 5.770 9.863 1.00 12.54 O ATOM 415 CB ASN A 27 -5.899 7.900 7.981 1.00 22.22 C ATOM 416 CG ASN A 27 -5.869 9.222 7.238 1.00 1.20 C ATOM 417 OD1 ASN A 27 -6.620 9.439 6.294 1.00 31.45 O ATOM 418 ND2 ASN A 27 -4.996 10.114 7.653 1.00 21.44 N ATOM 0 H ASN A 27 -5.579 8.543 10.718 1.00 51.44 H new ATOM 0 HA ASN A 27 -7.853 8.233 8.853 1.00 24.25 H new ATOM 0 HB2 ASN A 27 -4.895 7.663 8.332 1.00 22.22 H new ATOM 0 HB3 ASN A 27 -6.192 7.108 7.292 1.00 22.22 H new ATOM 0 HD21 ASN A 27 -4.930 11.018 7.186 1.00 21.44 H new ATOM 0 HD22 ASN A 27 -4.386 9.901 8.442 1.00 21.44 H new ATOM 425 N MET A 28 -8.206 6.095 10.118 1.00 50.45 N ATOM 426 CA MET A 28 -8.446 4.748 10.650 1.00 15.21 C ATOM 427 C MET A 28 -8.097 3.676 9.607 1.00 70.11 C ATOM 428 O MET A 28 -7.495 2.655 9.932 1.00 71.01 O ATOM 429 CB MET A 28 -9.907 4.585 11.094 1.00 71.51 C ATOM 430 CG MET A 28 -10.179 3.275 11.830 1.00 73.13 C ATOM 431 SD MET A 28 -11.924 3.029 12.215 1.00 72.31 S ATOM 432 CE MET A 28 -12.614 2.807 10.576 1.00 55.02 C ATOM 0 H MET A 28 -9.039 6.680 10.057 1.00 50.45 H new ATOM 0 HA MET A 28 -7.799 4.617 11.518 1.00 15.21 H new ATOM 0 HB2 MET A 28 -10.176 5.419 11.742 1.00 71.51 H new ATOM 0 HB3 MET A 28 -10.553 4.641 10.218 1.00 71.51 H new ATOM 0 HG2 MET A 28 -9.827 2.443 11.221 1.00 73.13 H new ATOM 0 HG3 MET A 28 -9.603 3.259 12.755 1.00 73.13 H new ATOM 0 HE1 MET A 28 -13.587 2.321 10.653 1.00 55.02 H new ATOM 0 HE2 MET A 28 -12.731 3.779 10.096 1.00 55.02 H new ATOM 0 HE3 MET A 28 -11.945 2.186 9.980 1.00 55.02 H new ATOM 442 N VAL A 29 -8.466 3.922 8.348 1.00 30.24 N ATOM 443 CA VAL A 29 -8.165 2.985 7.256 1.00 15.12 C ATOM 444 C VAL A 29 -6.652 2.710 7.145 1.00 65.44 C ATOM 445 O VAL A 29 -6.232 1.574 6.918 1.00 74.40 O ATOM 446 CB VAL A 29 -8.708 3.499 5.894 1.00 71.22 C ATOM 447 CG1 VAL A 29 -8.071 4.837 5.511 1.00 20.10 C ATOM 448 CG2 VAL A 29 -8.496 2.454 4.795 1.00 73.22 C ATOM 0 H VAL A 29 -8.972 4.758 8.057 1.00 30.24 H new ATOM 0 HA VAL A 29 -8.670 2.050 7.499 1.00 15.12 H new ATOM 0 HB VAL A 29 -9.780 3.664 6.002 1.00 71.22 H new ATOM 0 HG11 VAL A 29 -8.472 5.170 4.553 1.00 20.10 H new ATOM 0 HG12 VAL A 29 -8.296 5.580 6.276 1.00 20.10 H new ATOM 0 HG13 VAL A 29 -6.991 4.716 5.430 1.00 20.10 H new ATOM 0 HG21 VAL A 29 -8.884 2.836 3.850 1.00 73.22 H new ATOM 0 HG22 VAL A 29 -7.431 2.245 4.692 1.00 73.22 H new ATOM 0 HG23 VAL A 29 -9.022 1.537 5.059 1.00 73.22 H new ATOM 458 N ALA A 30 -5.839 3.754 7.323 1.00 42.33 N ATOM 459 CA ALA A 30 -4.377 3.613 7.307 1.00 20.10 C ATOM 460 C ALA A 30 -3.882 2.858 8.551 1.00 62.24 C ATOM 461 O ALA A 30 -2.961 2.043 8.475 1.00 3.34 O ATOM 462 CB ALA A 30 -3.717 4.986 7.209 1.00 5.10 C ATOM 0 H ALA A 30 -6.166 4.707 7.480 1.00 42.33 H new ATOM 0 HA ALA A 30 -4.098 3.028 6.430 1.00 20.10 H new ATOM 0 HB1 ALA A 30 -2.633 4.869 7.198 1.00 5.10 H new ATOM 0 HB2 ALA A 30 -4.038 5.479 6.292 1.00 5.10 H new ATOM 0 HB3 ALA A 30 -4.008 5.592 8.067 1.00 5.10 H new ATOM 468 N VAL A 31 -4.509 3.137 9.694 1.00 35.24 N ATOM 469 CA VAL A 31 -4.231 2.411 10.940 1.00 62.05 C ATOM 470 C VAL A 31 -4.472 0.901 10.775 1.00 61.51 C ATOM 471 O VAL A 31 -3.685 0.081 11.250 1.00 12.02 O ATOM 472 CB VAL A 31 -5.100 2.960 12.110 1.00 50.41 C ATOM 473 CG1 VAL A 31 -5.080 2.028 13.314 1.00 63.45 C ATOM 474 CG2 VAL A 31 -4.620 4.343 12.528 1.00 1.53 C ATOM 0 H VAL A 31 -5.218 3.865 9.786 1.00 35.24 H new ATOM 0 HA VAL A 31 -3.179 2.568 11.178 1.00 62.05 H new ATOM 0 HB VAL A 31 -6.126 3.025 11.747 1.00 50.41 H new ATOM 0 HG11 VAL A 31 -5.698 2.447 14.108 1.00 63.45 H new ATOM 0 HG12 VAL A 31 -5.471 1.052 13.026 1.00 63.45 H new ATOM 0 HG13 VAL A 31 -4.056 1.917 13.671 1.00 63.45 H new ATOM 0 HG21 VAL A 31 -5.239 4.711 13.346 1.00 1.53 H new ATOM 0 HG22 VAL A 31 -3.582 4.284 12.856 1.00 1.53 H new ATOM 0 HG23 VAL A 31 -4.695 5.025 11.681 1.00 1.53 H new ATOM 484 N LEU A 32 -5.547 0.544 10.071 1.00 71.12 N ATOM 485 CA LEU A 32 -5.907 -0.863 9.850 1.00 13.34 C ATOM 486 C LEU A 32 -4.754 -1.658 9.212 1.00 30.42 C ATOM 487 O LEU A 32 -4.550 -2.829 9.536 1.00 34.12 O ATOM 488 CB LEU A 32 -7.166 -0.961 8.972 1.00 2.22 C ATOM 489 CG LEU A 32 -8.440 -0.349 9.581 1.00 33.13 C ATOM 490 CD1 LEU A 32 -9.617 -0.483 8.619 1.00 64.40 C ATOM 491 CD2 LEU A 32 -8.763 -0.994 10.930 1.00 52.32 C ATOM 0 H LEU A 32 -6.188 1.211 9.641 1.00 71.12 H new ATOM 0 HA LEU A 32 -6.112 -1.304 10.825 1.00 13.34 H new ATOM 0 HB2 LEU A 32 -6.965 -0.469 8.021 1.00 2.22 H new ATOM 0 HB3 LEU A 32 -7.356 -2.012 8.753 1.00 2.22 H new ATOM 0 HG LEU A 32 -8.259 0.713 9.750 1.00 33.13 H new ATOM 0 HD11 LEU A 32 -10.507 -0.044 9.070 1.00 64.40 H new ATOM 0 HD12 LEU A 32 -9.387 0.036 7.689 1.00 64.40 H new ATOM 0 HD13 LEU A 32 -9.798 -1.537 8.411 1.00 64.40 H new ATOM 0 HD21 LEU A 32 -9.667 -0.545 11.341 1.00 52.32 H new ATOM 0 HD22 LEU A 32 -8.919 -2.064 10.794 1.00 52.32 H new ATOM 0 HD23 LEU A 32 -7.933 -0.833 11.618 1.00 52.32 H new ATOM 503 N GLU A 33 -3.993 -1.023 8.319 1.00 3.04 N ATOM 504 CA GLU A 33 -2.823 -1.677 7.715 1.00 11.45 C ATOM 505 C GLU A 33 -1.762 -2.024 8.773 1.00 72.55 C ATOM 506 O GLU A 33 -1.130 -3.080 8.703 1.00 11.41 O ATOM 507 CB GLU A 33 -2.198 -0.807 6.613 1.00 65.31 C ATOM 508 CG GLU A 33 -3.025 -0.731 5.331 1.00 25.33 C ATOM 509 CD GLU A 33 -2.231 -0.173 4.155 1.00 51.44 C ATOM 510 OE1 GLU A 33 -2.505 0.963 3.716 1.00 71.52 O ATOM 511 OE2 GLU A 33 -1.305 -0.868 3.675 1.00 23.44 O1- ATOM 0 H GLU A 33 -4.160 -0.069 7.999 1.00 3.04 H new ATOM 0 HA GLU A 33 -3.178 -2.604 7.264 1.00 11.45 H new ATOM 0 HB2 GLU A 33 -2.054 0.202 7.000 1.00 65.31 H new ATOM 0 HB3 GLU A 33 -1.210 -1.200 6.372 1.00 65.31 H new ATOM 0 HG2 GLU A 33 -3.390 -1.727 5.079 1.00 25.33 H new ATOM 0 HG3 GLU A 33 -3.900 -0.105 5.504 1.00 25.33 H new ATOM 518 N VAL A 34 -1.574 -1.142 9.756 1.00 45.34 N ATOM 519 CA VAL A 34 -0.598 -1.380 10.829 1.00 60.05 C ATOM 520 C VAL A 34 -1.006 -2.576 11.700 1.00 61.25 C ATOM 521 O VAL A 34 -0.223 -3.503 11.906 1.00 12.40 O ATOM 522 CB VAL A 34 -0.428 -0.133 11.733 1.00 42.43 C ATOM 523 CG1 VAL A 34 0.501 -0.426 12.914 1.00 22.11 C ATOM 524 CG2 VAL A 34 0.091 1.047 10.919 1.00 1.21 C ATOM 0 H VAL A 34 -2.080 -0.260 9.834 1.00 45.34 H new ATOM 0 HA VAL A 34 0.352 -1.597 10.341 1.00 60.05 H new ATOM 0 HB VAL A 34 -1.406 0.127 12.137 1.00 42.43 H new ATOM 0 HG11 VAL A 34 0.600 0.468 13.529 1.00 22.11 H new ATOM 0 HG12 VAL A 34 0.083 -1.235 13.514 1.00 22.11 H new ATOM 0 HG13 VAL A 34 1.482 -0.720 12.541 1.00 22.11 H new ATOM 0 HG21 VAL A 34 0.205 1.915 11.568 1.00 1.21 H new ATOM 0 HG22 VAL A 34 1.056 0.791 10.482 1.00 1.21 H new ATOM 0 HG23 VAL A 34 -0.617 1.280 10.123 1.00 1.21 H new ATOM 534 N ILE A 35 -2.248 -2.562 12.181 1.00 72.31 N ATOM 535 CA ILE A 35 -2.760 -3.644 13.030 1.00 63.25 C ATOM 536 C ILE A 35 -2.802 -4.972 12.252 1.00 22.34 C ATOM 537 O ILE A 35 -2.370 -6.009 12.755 1.00 75.34 O ATOM 538 CB ILE A 35 -4.175 -3.321 13.605 1.00 33.44 C ATOM 539 CG1 ILE A 35 -4.116 -2.178 14.644 1.00 10.42 C ATOM 540 CG2 ILE A 35 -4.804 -4.566 14.236 1.00 63.32 C ATOM 541 CD1 ILE A 35 -3.645 -0.851 14.099 1.00 23.11 C ATOM 0 H ILE A 35 -2.920 -1.816 12.000 1.00 72.31 H new ATOM 0 HA ILE A 35 -2.073 -3.740 13.871 1.00 63.25 H new ATOM 0 HB ILE A 35 -4.796 -2.994 12.771 1.00 33.44 H new ATOM 0 HG12 ILE A 35 -5.108 -2.046 15.075 1.00 10.42 H new ATOM 0 HG13 ILE A 35 -3.453 -2.478 15.456 1.00 10.42 H new ATOM 0 HG21 ILE A 35 -5.789 -4.316 14.630 1.00 63.32 H new ATOM 0 HG22 ILE A 35 -4.902 -5.346 13.481 1.00 63.32 H new ATOM 0 HG23 ILE A 35 -4.169 -4.923 15.047 1.00 63.32 H new ATOM 0 HD11 ILE A 35 -3.636 -0.111 14.900 1.00 23.11 H new ATOM 0 HD12 ILE A 35 -2.639 -0.960 13.695 1.00 23.11 H new ATOM 0 HD13 ILE A 35 -4.320 -0.522 13.309 1.00 23.11 H new ATOM 553 N SER A 36 -3.300 -4.923 11.015 1.00 71.52 N ATOM 554 CA SER A 36 -3.350 -6.112 10.148 1.00 62.11 C ATOM 555 C SER A 36 -1.949 -6.696 9.919 1.00 61.22 C ATOM 556 O SER A 36 -1.775 -7.916 9.847 1.00 73.35 O ATOM 557 CB SER A 36 -3.992 -5.769 8.798 1.00 0.22 C ATOM 558 OG SER A 36 -4.065 -6.908 7.954 1.00 3.31 O ATOM 0 H SER A 36 -3.675 -4.076 10.587 1.00 71.52 H new ATOM 0 HA SER A 36 -3.958 -6.861 10.655 1.00 62.11 H new ATOM 0 HB2 SER A 36 -4.993 -5.370 8.961 1.00 0.22 H new ATOM 0 HB3 SER A 36 -3.413 -4.987 8.307 1.00 0.22 H new ATOM 0 HG SER A 36 -4.480 -6.658 7.102 1.00 3.31 H new ATOM 564 N SER A 37 -0.953 -5.816 9.802 1.00 25.03 N ATOM 565 CA SER A 37 0.450 -6.244 9.685 1.00 51.44 C ATOM 566 C SER A 37 0.938 -6.897 10.981 1.00 55.11 C ATOM 567 O SER A 37 1.564 -7.954 10.955 1.00 31.24 O ATOM 568 CB SER A 37 1.358 -5.056 9.335 1.00 24.22 C ATOM 569 OG SER A 37 1.107 -4.579 8.023 1.00 42.25 O ATOM 0 H SER A 37 -1.087 -4.805 9.785 1.00 25.03 H new ATOM 0 HA SER A 37 0.500 -6.979 8.881 1.00 51.44 H new ATOM 0 HB2 SER A 37 1.199 -4.251 10.053 1.00 24.22 H new ATOM 0 HB3 SER A 37 2.402 -5.357 9.420 1.00 24.22 H new ATOM 0 HG SER A 37 0.326 -3.987 8.034 1.00 42.25 H new ATOM 575 N LEU A 38 0.637 -6.262 12.113 1.00 70.23 N ATOM 576 CA LEU A 38 1.007 -6.786 13.435 1.00 60.22 C ATOM 577 C LEU A 38 0.337 -8.143 13.717 1.00 70.23 C ATOM 578 O LEU A 38 0.878 -8.977 14.447 1.00 64.23 O ATOM 579 CB LEU A 38 0.639 -5.765 14.524 1.00 14.32 C ATOM 580 CG LEU A 38 1.376 -4.417 14.434 1.00 11.20 C ATOM 581 CD1 LEU A 38 0.931 -3.482 15.554 1.00 42.41 C ATOM 582 CD2 LEU A 38 2.890 -4.625 14.466 1.00 65.34 C ATOM 0 H LEU A 38 0.133 -5.376 12.144 1.00 70.23 H new ATOM 0 HA LEU A 38 2.085 -6.948 13.445 1.00 60.22 H new ATOM 0 HB2 LEU A 38 -0.434 -5.578 14.477 1.00 14.32 H new ATOM 0 HB3 LEU A 38 0.843 -6.208 15.499 1.00 14.32 H new ATOM 0 HG LEU A 38 1.119 -3.951 13.483 1.00 11.20 H new ATOM 0 HD11 LEU A 38 1.465 -2.535 15.471 1.00 42.41 H new ATOM 0 HD12 LEU A 38 -0.141 -3.303 15.474 1.00 42.41 H new ATOM 0 HD13 LEU A 38 1.151 -3.939 16.519 1.00 42.41 H new ATOM 0 HD21 LEU A 38 3.391 -3.659 14.401 1.00 65.34 H new ATOM 0 HD22 LEU A 38 3.170 -5.117 15.397 1.00 65.34 H new ATOM 0 HD23 LEU A 38 3.190 -5.247 13.622 1.00 65.34 H new ATOM 594 N GLU A 39 -0.843 -8.359 13.135 1.00 51.41 N ATOM 595 CA GLU A 39 -1.527 -9.655 13.227 1.00 12.35 C ATOM 596 C GLU A 39 -0.740 -10.753 12.485 1.00 1.12 C ATOM 597 O GLU A 39 -0.811 -11.932 12.841 1.00 70.41 O ATOM 598 CB GLU A 39 -2.958 -9.556 12.666 1.00 71.14 C ATOM 599 CG GLU A 39 -3.887 -8.665 13.491 1.00 62.43 C ATOM 600 CD GLU A 39 -5.305 -8.602 12.935 1.00 42.34 C ATOM 601 OE1 GLU A 39 -5.612 -7.670 12.165 1.00 31.34 O ATOM 602 OE2 GLU A 39 -6.124 -9.491 13.264 1.00 41.22 O1- ATOM 0 H GLU A 39 -1.347 -7.656 12.595 1.00 51.41 H new ATOM 0 HA GLU A 39 -1.582 -9.927 14.281 1.00 12.35 H new ATOM 0 HB2 GLU A 39 -2.912 -9.172 11.647 1.00 71.14 H new ATOM 0 HB3 GLU A 39 -3.386 -10.557 12.610 1.00 71.14 H new ATOM 0 HG2 GLU A 39 -3.921 -9.036 14.515 1.00 62.43 H new ATOM 0 HG3 GLU A 39 -3.474 -7.657 13.530 1.00 62.43 H new ATOM 609 N LYS A 40 0.020 -10.356 11.462 1.00 62.13 N ATOM 610 CA LYS A 40 0.857 -11.295 10.699 1.00 41.25 C ATOM 611 C LYS A 40 2.316 -11.291 11.190 1.00 64.35 C ATOM 612 O LYS A 40 3.049 -12.257 10.986 1.00 62.21 O ATOM 613 CB LYS A 40 0.839 -10.919 9.213 1.00 23.13 C ATOM 614 CG LYS A 40 -0.528 -11.031 8.546 1.00 2.10 C ATOM 615 CD LYS A 40 -0.514 -10.431 7.140 1.00 71.12 C ATOM 616 CE LYS A 40 0.569 -11.052 6.258 1.00 71.30 C ATOM 617 NZ LYS A 40 0.654 -10.389 4.930 1.00 22.03 N1+ ATOM 0 H LYS A 40 0.076 -9.390 11.140 1.00 62.13 H new ATOM 0 HA LYS A 40 0.444 -12.293 10.847 1.00 41.25 H new ATOM 0 HB2 LYS A 40 1.198 -9.895 9.106 1.00 23.13 H new ATOM 0 HB3 LYS A 40 1.542 -11.560 8.681 1.00 23.13 H new ATOM 0 HG2 LYS A 40 -0.824 -12.079 8.493 1.00 2.10 H new ATOM 0 HG3 LYS A 40 -1.274 -10.519 9.154 1.00 2.10 H new ATOM 0 HD2 LYS A 40 -1.488 -10.578 6.674 1.00 71.12 H new ATOM 0 HD3 LYS A 40 -0.353 -9.355 7.208 1.00 71.12 H new ATOM 0 HE2 LYS A 40 1.533 -10.979 6.762 1.00 71.30 H new ATOM 0 HE3 LYS A 40 0.360 -12.113 6.121 1.00 71.30 H new ATOM 0 HZ1 LYS A 40 1.117 -11.028 4.252 1.00 22.03 H new ATOM 0 HZ2 LYS A 40 -0.303 -10.162 4.593 1.00 22.03 H new ATOM 0 HZ3 LYS A 40 1.208 -9.513 5.014 1.00 22.03 H new ATOM 631 N TYR A 41 2.722 -10.205 11.845 1.00 21.42 N ATOM 632 CA TYR A 41 4.104 -10.039 12.314 1.00 44.04 C ATOM 633 C TYR A 41 4.148 -9.446 13.730 1.00 63.12 C ATOM 634 O TYR A 41 3.910 -8.252 13.918 1.00 34.42 O ATOM 635 CB TYR A 41 4.898 -9.136 11.356 1.00 35.12 C ATOM 636 CG TYR A 41 5.191 -9.774 10.015 1.00 43.32 C ATOM 637 CD1 TYR A 41 6.261 -10.647 9.868 1.00 65.31 C ATOM 638 CD2 TYR A 41 4.401 -9.507 8.903 1.00 1.44 C ATOM 639 CE1 TYR A 41 6.536 -11.235 8.653 1.00 13.24 C ATOM 640 CE2 TYR A 41 4.671 -10.094 7.684 1.00 55.31 C ATOM 641 CZ TYR A 41 5.741 -10.957 7.566 1.00 72.22 C ATOM 642 OH TYR A 41 6.014 -11.544 6.355 1.00 31.43 O ATOM 0 H TYR A 41 2.111 -9.419 12.066 1.00 21.42 H new ATOM 0 HA TYR A 41 4.559 -11.029 12.338 1.00 44.04 H new ATOM 0 HB2 TYR A 41 4.340 -8.214 11.195 1.00 35.12 H new ATOM 0 HB3 TYR A 41 5.840 -8.859 11.830 1.00 35.12 H new ATOM 0 HD1 TYR A 41 6.887 -10.868 10.720 1.00 65.31 H new ATOM 0 HD2 TYR A 41 3.564 -8.831 8.994 1.00 1.44 H new ATOM 0 HE1 TYR A 41 7.372 -11.911 8.555 1.00 13.24 H new ATOM 0 HE2 TYR A 41 4.049 -9.879 6.828 1.00 55.31 H new ATOM 0 HH TYR A 41 5.241 -11.443 5.761 1.00 31.43 H new ATOM 652 N PRO A 42 4.450 -10.270 14.751 1.00 34.25 N ATOM 653 CA PRO A 42 4.591 -9.792 16.126 1.00 0.15 C ATOM 654 C PRO A 42 5.961 -9.139 16.375 1.00 34.23 C ATOM 655 O PRO A 42 7.006 -9.708 16.052 1.00 32.20 O ATOM 656 CB PRO A 42 4.421 -11.069 16.978 1.00 10.34 C ATOM 657 CG PRO A 42 4.193 -12.197 16.009 1.00 60.13 C ATOM 658 CD PRO A 42 4.666 -11.716 14.664 1.00 21.45 C ATOM 0 HA PRO A 42 3.863 -9.017 16.367 1.00 0.15 H new ATOM 0 HB2 PRO A 42 5.307 -11.252 17.586 1.00 10.34 H new ATOM 0 HB3 PRO A 42 3.580 -10.970 17.664 1.00 10.34 H new ATOM 0 HG2 PRO A 42 4.742 -13.087 16.316 1.00 60.13 H new ATOM 0 HG3 PRO A 42 3.138 -12.469 15.973 1.00 60.13 H new ATOM 0 HD2 PRO A 42 5.714 -11.960 14.491 1.00 21.45 H new ATOM 0 HD3 PRO A 42 4.096 -12.163 13.850 1.00 21.45 H new ATOM 666 N ILE A 43 5.942 -7.949 16.967 1.00 74.43 N ATOM 667 CA ILE A 43 7.161 -7.168 17.218 1.00 74.53 C ATOM 668 C ILE A 43 8.129 -7.896 18.170 1.00 43.41 C ATOM 669 O ILE A 43 7.726 -8.394 19.221 1.00 33.42 O ATOM 670 CB ILE A 43 6.794 -5.783 17.808 1.00 4.22 C ATOM 671 CG1 ILE A 43 5.825 -5.051 16.860 1.00 63.15 C ATOM 672 CG2 ILE A 43 8.048 -4.944 18.059 1.00 30.12 C ATOM 673 CD1 ILE A 43 5.248 -3.772 17.428 1.00 61.11 C ATOM 0 H ILE A 43 5.087 -7.495 17.288 1.00 74.43 H new ATOM 0 HA ILE A 43 7.667 -7.041 16.261 1.00 74.53 H new ATOM 0 HB ILE A 43 6.300 -5.933 18.768 1.00 4.22 H new ATOM 0 HG12 ILE A 43 6.348 -4.820 15.932 1.00 63.15 H new ATOM 0 HG13 ILE A 43 5.006 -5.724 16.605 1.00 63.15 H new ATOM 0 HG21 ILE A 43 7.762 -3.977 18.473 1.00 30.12 H new ATOM 0 HG22 ILE A 43 8.698 -5.463 18.764 1.00 30.12 H new ATOM 0 HG23 ILE A 43 8.579 -4.793 17.119 1.00 30.12 H new ATOM 0 HD11 ILE A 43 4.577 -3.320 16.698 1.00 61.11 H new ATOM 0 HD12 ILE A 43 4.694 -3.996 18.340 1.00 61.11 H new ATOM 0 HD13 ILE A 43 6.057 -3.078 17.656 1.00 61.11 H new ATOM 685 N THR A 44 9.407 -7.958 17.794 1.00 1.14 N ATOM 686 CA THR A 44 10.418 -8.629 18.619 1.00 54.12 C ATOM 687 C THR A 44 10.786 -7.789 19.852 1.00 64.31 C ATOM 688 O THR A 44 10.586 -6.574 19.875 1.00 14.13 O ATOM 689 CB THR A 44 11.698 -8.947 17.816 1.00 21.04 C ATOM 690 OG1 THR A 44 12.298 -7.741 17.334 1.00 52.52 O ATOM 691 CG2 THR A 44 11.402 -9.866 16.642 1.00 24.12 C ATOM 0 H THR A 44 9.767 -7.555 16.929 1.00 1.14 H new ATOM 0 HA THR A 44 9.972 -9.567 18.948 1.00 54.12 H new ATOM 0 HB THR A 44 12.389 -9.455 18.489 1.00 21.04 H new ATOM 0 HG1 THR A 44 13.119 -7.560 17.838 1.00 52.52 H new ATOM 0 HG21 THR A 44 12.324 -10.070 16.098 1.00 24.12 H new ATOM 0 HG22 THR A 44 10.983 -10.803 17.010 1.00 24.12 H new ATOM 0 HG23 THR A 44 10.686 -9.385 15.975 1.00 24.12 H new ATOM 699 N LYS A 45 11.344 -8.443 20.869 1.00 52.03 N ATOM 700 CA LYS A 45 11.525 -7.826 22.191 1.00 54.15 C ATOM 701 C LYS A 45 12.642 -6.771 22.207 1.00 5.14 C ATOM 702 O LYS A 45 12.467 -5.684 22.761 1.00 34.21 O ATOM 703 CB LYS A 45 11.813 -8.899 23.251 1.00 12.41 C ATOM 704 CG LYS A 45 10.635 -9.827 23.573 1.00 20.44 C ATOM 705 CD LYS A 45 10.360 -10.871 22.477 1.00 10.20 C ATOM 706 CE LYS A 45 9.249 -10.445 21.517 1.00 61.13 C ATOM 707 NZ LYS A 45 9.014 -11.452 20.446 1.00 21.34 N1+ ATOM 0 H LYS A 45 11.681 -9.404 20.807 1.00 52.03 H new ATOM 0 HA LYS A 45 10.591 -7.316 22.425 1.00 54.15 H new ATOM 0 HB2 LYS A 45 12.652 -9.507 22.912 1.00 12.41 H new ATOM 0 HB3 LYS A 45 12.128 -8.405 24.170 1.00 12.41 H new ATOM 0 HG2 LYS A 45 10.835 -10.342 24.513 1.00 20.44 H new ATOM 0 HG3 LYS A 45 9.739 -9.225 23.724 1.00 20.44 H new ATOM 0 HD2 LYS A 45 11.275 -11.046 21.911 1.00 10.20 H new ATOM 0 HD3 LYS A 45 10.087 -11.818 22.944 1.00 10.20 H new ATOM 0 HE2 LYS A 45 8.327 -10.291 22.077 1.00 61.13 H new ATOM 0 HE3 LYS A 45 9.510 -9.489 21.063 1.00 61.13 H new ATOM 0 HZ1 LYS A 45 8.253 -11.121 19.819 1.00 21.34 H new ATOM 0 HZ2 LYS A 45 9.886 -11.581 19.894 1.00 21.34 H new ATOM 0 HZ3 LYS A 45 8.739 -12.358 20.876 1.00 21.34 H new ATOM 721 N GLU A 46 13.793 -7.089 21.618 1.00 64.42 N ATOM 722 CA GLU A 46 14.895 -6.121 21.536 1.00 0.51 C ATOM 723 C GLU A 46 14.523 -4.954 20.609 1.00 5.44 C ATOM 724 O GLU A 46 14.867 -3.799 20.874 1.00 74.21 O ATOM 725 CB GLU A 46 16.218 -6.787 21.081 1.00 51.31 C ATOM 726 CG GLU A 46 16.188 -7.460 19.706 1.00 42.41 C ATOM 727 CD GLU A 46 15.397 -8.758 19.688 1.00 11.54 C ATOM 728 OE1 GLU A 46 15.982 -9.833 19.953 1.00 34.42 O ATOM 729 OE2 GLU A 46 14.184 -8.707 19.428 1.00 12.01 O1- ATOM 0 H GLU A 46 13.990 -7.996 21.194 1.00 64.42 H new ATOM 0 HA GLU A 46 15.060 -5.729 22.539 1.00 0.51 H new ATOM 0 HB2 GLU A 46 17.001 -6.029 21.076 1.00 51.31 H new ATOM 0 HB3 GLU A 46 16.501 -7.533 21.823 1.00 51.31 H new ATOM 0 HG2 GLU A 46 15.757 -6.770 18.981 1.00 42.41 H new ATOM 0 HG3 GLU A 46 17.210 -7.661 19.385 1.00 42.41 H new ATOM 736 N ALA A 47 13.799 -5.263 19.533 1.00 42.41 N ATOM 737 CA ALA A 47 13.294 -4.238 18.612 1.00 10.01 C ATOM 738 C ALA A 47 12.195 -3.384 19.260 1.00 25.01 C ATOM 739 O ALA A 47 12.066 -2.199 18.965 1.00 72.03 O ATOM 740 CB ALA A 47 12.783 -4.876 17.327 1.00 23.13 C ATOM 0 H ALA A 47 13.547 -6.217 19.275 1.00 42.41 H new ATOM 0 HA ALA A 47 14.127 -3.578 18.370 1.00 10.01 H new ATOM 0 HB1 ALA A 47 12.413 -4.100 16.657 1.00 23.13 H new ATOM 0 HB2 ALA A 47 13.595 -5.417 16.841 1.00 23.13 H new ATOM 0 HB3 ALA A 47 11.975 -5.569 17.561 1.00 23.13 H new ATOM 746 N LEU A 48 11.406 -3.992 20.145 1.00 62.00 N ATOM 747 CA LEU A 48 10.311 -3.289 20.826 1.00 4.55 C ATOM 748 C LEU A 48 10.833 -2.063 21.593 1.00 51.02 C ATOM 749 O LEU A 48 10.258 -0.973 21.514 1.00 32.05 O ATOM 750 CB LEU A 48 9.604 -4.250 21.797 1.00 43.12 C ATOM 751 CG LEU A 48 8.414 -3.662 22.578 1.00 30.13 C ATOM 752 CD1 LEU A 48 7.259 -3.321 21.641 1.00 24.42 C ATOM 753 CD2 LEU A 48 7.954 -4.627 23.670 1.00 1.44 C ATOM 0 H LEU A 48 11.502 -4.972 20.410 1.00 62.00 H new ATOM 0 HA LEU A 48 9.604 -2.943 20.072 1.00 4.55 H new ATOM 0 HB2 LEU A 48 9.252 -5.113 21.232 1.00 43.12 H new ATOM 0 HB3 LEU A 48 10.339 -4.617 22.514 1.00 43.12 H new ATOM 0 HG LEU A 48 8.747 -2.739 23.053 1.00 30.13 H new ATOM 0 HD11 LEU A 48 6.432 -2.908 22.218 1.00 24.42 H new ATOM 0 HD12 LEU A 48 7.591 -2.587 20.906 1.00 24.42 H new ATOM 0 HD13 LEU A 48 6.928 -4.224 21.128 1.00 24.42 H new ATOM 0 HD21 LEU A 48 7.113 -4.192 24.209 1.00 1.44 H new ATOM 0 HD22 LEU A 48 7.646 -5.569 23.217 1.00 1.44 H new ATOM 0 HD23 LEU A 48 8.775 -4.809 24.364 1.00 1.44 H new ATOM 765 N GLU A 49 11.926 -2.250 22.328 1.00 75.52 N ATOM 766 CA GLU A 49 12.592 -1.145 23.028 1.00 52.22 C ATOM 767 C GLU A 49 13.328 -0.210 22.046 1.00 33.33 C ATOM 768 O GLU A 49 13.255 1.012 22.169 1.00 75.02 O ATOM 769 CB GLU A 49 13.569 -1.697 24.070 1.00 71.41 C ATOM 770 CG GLU A 49 12.907 -2.609 25.099 1.00 15.35 C ATOM 771 CD GLU A 49 13.878 -3.102 26.157 1.00 55.33 C ATOM 772 OE1 GLU A 49 13.902 -2.527 27.268 1.00 73.23 O ATOM 773 OE2 GLU A 49 14.631 -4.060 25.878 1.00 73.53 O1- ATOM 0 H GLU A 49 12.374 -3.157 22.457 1.00 75.52 H new ATOM 0 HA GLU A 49 11.824 -0.556 23.530 1.00 52.22 H new ATOM 0 HB2 GLU A 49 14.358 -2.250 23.560 1.00 71.41 H new ATOM 0 HB3 GLU A 49 14.046 -0.864 24.587 1.00 71.41 H new ATOM 0 HG2 GLU A 49 12.091 -2.072 25.583 1.00 15.35 H new ATOM 0 HG3 GLU A 49 12.466 -3.466 24.589 1.00 15.35 H new ATOM 780 N GLU A 50 14.020 -0.803 21.067 1.00 11.11 N ATOM 781 CA GLU A 50 14.809 -0.045 20.072 1.00 63.40 C ATOM 782 C GLU A 50 13.948 0.957 19.285 1.00 73.12 C ATOM 783 O GLU A 50 14.285 2.132 19.164 1.00 30.22 O ATOM 784 CB GLU A 50 15.479 -1.027 19.093 1.00 2.31 C ATOM 785 CG GLU A 50 16.061 -0.382 17.830 1.00 40.12 C ATOM 786 CD GLU A 50 17.297 0.470 18.089 1.00 23.34 C ATOM 787 OE1 GLU A 50 17.154 1.676 18.391 1.00 12.42 O ATOM 788 OE2 GLU A 50 18.421 -0.056 17.969 1.00 32.44 O1- ATOM 0 H GLU A 50 14.053 -1.814 20.937 1.00 11.11 H new ATOM 0 HA GLU A 50 15.562 0.526 20.615 1.00 63.40 H new ATOM 0 HB2 GLU A 50 16.278 -1.551 19.617 1.00 2.31 H new ATOM 0 HB3 GLU A 50 14.747 -1.778 18.796 1.00 2.31 H new ATOM 0 HG2 GLU A 50 16.315 -1.166 17.117 1.00 40.12 H new ATOM 0 HG3 GLU A 50 15.295 0.238 17.364 1.00 40.12 H new ATOM 795 N THR A 51 12.842 0.487 18.737 1.00 40.24 N ATOM 796 CA THR A 51 11.974 1.336 17.916 1.00 1.51 C ATOM 797 C THR A 51 10.867 1.999 18.765 1.00 50.33 C ATOM 798 O THR A 51 10.084 2.809 18.264 1.00 63.44 O ATOM 799 CB THR A 51 11.360 0.510 16.756 1.00 31.04 C ATOM 800 OG1 THR A 51 12.399 -0.180 16.045 1.00 2.35 O ATOM 801 CG2 THR A 51 10.581 1.384 15.778 1.00 43.35 C ATOM 0 H THR A 51 12.518 -0.474 18.841 1.00 40.24 H new ATOM 0 HA THR A 51 12.583 2.135 17.493 1.00 1.51 H new ATOM 0 HB THR A 51 10.665 -0.203 17.199 1.00 31.04 H new ATOM 0 HG1 THR A 51 12.051 -1.029 15.701 1.00 2.35 H new ATOM 0 HG21 THR A 51 10.169 0.762 14.983 1.00 43.35 H new ATOM 0 HG22 THR A 51 9.769 1.884 16.305 1.00 43.35 H new ATOM 0 HG23 THR A 51 11.248 2.131 15.347 1.00 43.35 H new ATOM 809 N ARG A 52 10.825 1.660 20.062 1.00 72.03 N ATOM 810 CA ARG A 52 9.886 2.277 21.019 1.00 15.22 C ATOM 811 C ARG A 52 8.404 1.986 20.681 1.00 41.51 C ATOM 812 O ARG A 52 7.541 2.852 20.847 1.00 53.55 O ATOM 813 CB ARG A 52 10.122 3.805 21.117 1.00 44.30 C ATOM 814 CG ARG A 52 11.337 4.216 21.959 1.00 64.42 C ATOM 815 CD ARG A 52 12.671 3.919 21.278 1.00 52.33 C ATOM 816 NE ARG A 52 13.808 4.257 22.141 1.00 1.43 N ATOM 817 CZ ARG A 52 15.065 4.214 21.769 1.00 51.04 C ATOM 818 NH1 ARG A 52 15.388 3.879 20.568 1.00 51.22 N1+ ATOM 819 NH2 ARG A 52 16.006 4.508 22.607 1.00 34.22 N ATOM 0 H ARG A 52 11.435 0.956 20.478 1.00 72.03 H new ATOM 0 HA ARG A 52 10.090 1.819 21.987 1.00 15.22 H new ATOM 0 HB2 ARG A 52 10.243 4.205 20.110 1.00 44.30 H new ATOM 0 HB3 ARG A 52 9.231 4.270 21.539 1.00 44.30 H new ATOM 0 HG2 ARG A 52 11.277 5.283 22.175 1.00 64.42 H new ATOM 0 HG3 ARG A 52 11.301 3.694 22.915 1.00 64.42 H new ATOM 0 HD2 ARG A 52 12.717 2.863 21.013 1.00 52.33 H new ATOM 0 HD3 ARG A 52 12.739 4.484 20.349 1.00 52.33 H new ATOM 0 HE ARG A 52 13.607 4.546 23.098 1.00 1.43 H new ATOM 0 HH11 ARG A 52 14.662 3.643 19.892 1.00 51.22 H new ATOM 0 HH12 ARG A 52 16.370 3.850 20.293 1.00 51.22 H new ATOM 0 HH21 ARG A 52 15.772 4.775 23.563 1.00 34.22 H new ATOM 0 HH22 ARG A 52 16.982 4.473 22.311 1.00 34.22 H new ATOM 833 N LEU A 53 8.098 0.752 20.263 1.00 45.54 N ATOM 834 CA LEU A 53 6.713 0.383 19.895 1.00 15.00 C ATOM 835 C LEU A 53 5.793 0.263 21.123 1.00 11.10 C ATOM 836 O LEU A 53 4.591 0.041 20.980 1.00 41.21 O ATOM 837 CB LEU A 53 6.655 -0.935 19.106 1.00 22.44 C ATOM 838 CG LEU A 53 7.455 -0.991 17.794 1.00 64.51 C ATOM 839 CD1 LEU A 53 7.304 0.303 16.994 1.00 23.42 C ATOM 840 CD2 LEU A 53 8.916 -1.318 18.070 1.00 54.31 C ATOM 0 H LEU A 53 8.776 -0.004 20.170 1.00 45.54 H new ATOM 0 HA LEU A 53 6.357 1.196 19.263 1.00 15.00 H new ATOM 0 HB2 LEU A 53 7.010 -1.736 19.755 1.00 22.44 H new ATOM 0 HB3 LEU A 53 5.611 -1.149 18.877 1.00 22.44 H new ATOM 0 HG LEU A 53 7.046 -1.793 17.180 1.00 64.51 H new ATOM 0 HD11 LEU A 53 7.882 0.231 16.073 1.00 23.42 H new ATOM 0 HD12 LEU A 53 6.253 0.461 16.752 1.00 23.42 H new ATOM 0 HD13 LEU A 53 7.669 1.142 17.586 1.00 23.42 H new ATOM 0 HD21 LEU A 53 9.465 -1.353 17.129 1.00 54.31 H new ATOM 0 HD22 LEU A 53 9.346 -0.549 18.712 1.00 54.31 H new ATOM 0 HD23 LEU A 53 8.985 -2.286 18.566 1.00 54.31 H new ATOM 852 N GLY A 54 6.348 0.396 22.326 1.00 63.13 N ATOM 853 CA GLY A 54 5.529 0.311 23.535 1.00 3.11 C ATOM 854 C GLY A 54 4.410 1.350 23.558 1.00 75.35 C ATOM 855 O GLY A 54 3.320 1.100 24.078 1.00 30.10 O ATOM 0 H GLY A 54 7.341 0.560 22.490 1.00 63.13 H new ATOM 0 HA2 GLY A 54 5.096 -0.687 23.607 1.00 3.11 H new ATOM 0 HA3 GLY A 54 6.164 0.446 24.410 1.00 3.11 H new ATOM 859 N LYS A 55 4.679 2.521 22.984 1.00 3.02 N ATOM 860 CA LYS A 55 3.653 3.555 22.809 1.00 73.12 C ATOM 861 C LYS A 55 2.504 3.042 21.919 1.00 72.10 C ATOM 862 O LYS A 55 1.336 3.372 22.134 1.00 24.23 O ATOM 863 CB LYS A 55 4.281 4.813 22.192 1.00 1.43 C ATOM 864 CG LYS A 55 3.281 5.934 21.917 1.00 61.14 C ATOM 865 CD LYS A 55 3.952 7.154 21.289 1.00 65.01 C ATOM 866 CE LYS A 55 2.946 8.257 20.979 1.00 20.35 C ATOM 867 NZ LYS A 55 3.606 9.467 20.427 1.00 13.50 N1+ ATOM 0 H LYS A 55 5.600 2.781 22.630 1.00 3.02 H new ATOM 0 HA LYS A 55 3.240 3.803 23.787 1.00 73.12 H new ATOM 0 HB2 LYS A 55 5.055 5.187 22.862 1.00 1.43 H new ATOM 0 HB3 LYS A 55 4.772 4.541 21.258 1.00 1.43 H new ATOM 0 HG2 LYS A 55 2.499 5.568 21.252 1.00 61.14 H new ATOM 0 HG3 LYS A 55 2.797 6.225 22.849 1.00 61.14 H new ATOM 0 HD2 LYS A 55 4.715 7.538 21.966 1.00 65.01 H new ATOM 0 HD3 LYS A 55 4.460 6.857 20.372 1.00 65.01 H new ATOM 0 HE2 LYS A 55 2.210 7.887 20.265 1.00 20.35 H new ATOM 0 HE3 LYS A 55 2.405 8.521 21.888 1.00 20.35 H new ATOM 0 HZ1 LYS A 55 2.888 10.095 20.012 1.00 13.50 H new ATOM 0 HZ2 LYS A 55 4.105 9.968 21.189 1.00 13.50 H new ATOM 0 HZ3 LYS A 55 4.287 9.187 19.693 1.00 13.50 H new ATOM 881 N LEU A 56 2.848 2.219 20.925 1.00 51.21 N ATOM 882 CA LEU A 56 1.854 1.624 20.023 1.00 45.04 C ATOM 883 C LEU A 56 0.892 0.725 20.817 1.00 73.10 C ATOM 884 O LEU A 56 -0.301 0.674 20.528 1.00 14.32 O ATOM 885 CB LEU A 56 2.568 0.834 18.900 1.00 4.32 C ATOM 886 CG LEU A 56 1.702 0.392 17.697 1.00 54.44 C ATOM 887 CD1 LEU A 56 2.588 0.039 16.502 1.00 43.44 C ATOM 888 CD2 LEU A 56 0.811 -0.801 18.050 1.00 3.44 C ATOM 0 H LEU A 56 3.810 1.948 20.723 1.00 51.21 H new ATOM 0 HA LEU A 56 1.266 2.415 19.558 1.00 45.04 H new ATOM 0 HB2 LEU A 56 3.387 1.446 18.522 1.00 4.32 H new ATOM 0 HB3 LEU A 56 3.014 -0.057 19.342 1.00 4.32 H new ATOM 0 HG LEU A 56 1.057 1.231 17.434 1.00 54.44 H new ATOM 0 HD11 LEU A 56 1.963 -0.270 15.664 1.00 43.44 H new ATOM 0 HD12 LEU A 56 3.175 0.911 16.214 1.00 43.44 H new ATOM 0 HD13 LEU A 56 3.258 -0.776 16.774 1.00 43.44 H new ATOM 0 HD21 LEU A 56 0.218 -1.082 17.180 1.00 3.44 H new ATOM 0 HD22 LEU A 56 1.433 -1.643 18.352 1.00 3.44 H new ATOM 0 HD23 LEU A 56 0.146 -0.529 18.870 1.00 3.44 H new ATOM 900 N ILE A 57 1.417 0.036 21.836 1.00 60.40 N ATOM 901 CA ILE A 57 0.587 -0.799 22.721 1.00 0.42 C ATOM 902 C ILE A 57 -0.494 0.047 23.418 1.00 72.13 C ATOM 903 O ILE A 57 -1.651 -0.366 23.535 1.00 42.23 O ATOM 904 CB ILE A 57 1.450 -1.512 23.798 1.00 73.34 C ATOM 905 CG1 ILE A 57 2.524 -2.392 23.133 1.00 3.23 C ATOM 906 CG2 ILE A 57 0.573 -2.345 24.736 1.00 53.35 C ATOM 907 CD1 ILE A 57 3.455 -3.074 24.116 1.00 15.10 C ATOM 0 H ILE A 57 2.410 0.038 22.071 1.00 60.40 H new ATOM 0 HA ILE A 57 0.109 -1.553 22.096 1.00 0.42 H new ATOM 0 HB ILE A 57 1.951 -0.749 24.394 1.00 73.34 H new ATOM 0 HG12 ILE A 57 2.032 -3.152 22.526 1.00 3.23 H new ATOM 0 HG13 ILE A 57 3.115 -1.776 22.455 1.00 3.23 H new ATOM 0 HG21 ILE A 57 1.200 -2.835 25.481 1.00 53.35 H new ATOM 0 HG22 ILE A 57 -0.145 -1.695 25.236 1.00 53.35 H new ATOM 0 HG23 ILE A 57 0.038 -3.100 24.159 1.00 53.35 H new ATOM 0 HD11 ILE A 57 4.183 -3.675 23.571 1.00 15.10 H new ATOM 0 HD12 ILE A 57 3.976 -2.320 24.706 1.00 15.10 H new ATOM 0 HD13 ILE A 57 2.876 -3.718 24.779 1.00 15.10 H new ATOM 919 N ASN A 58 -0.098 1.234 23.868 1.00 3.23 N ATOM 920 CA ASN A 58 -1.021 2.194 24.481 1.00 32.25 C ATOM 921 C ASN A 58 -2.134 2.616 23.502 1.00 11.14 C ATOM 922 O ASN A 58 -3.323 2.581 23.836 1.00 44.15 O ATOM 923 CB ASN A 58 -0.225 3.422 24.952 1.00 44.21 C ATOM 924 CG ASN A 58 -1.108 4.598 25.322 1.00 62.42 C ATOM 925 OD1 ASN A 58 -1.547 4.730 26.459 1.00 30.13 O ATOM 926 ND2 ASN A 58 -1.366 5.470 24.366 1.00 25.13 N ATOM 0 H ASN A 58 0.867 1.560 23.820 1.00 3.23 H new ATOM 0 HA ASN A 58 -1.506 1.718 25.333 1.00 32.25 H new ATOM 0 HB2 ASN A 58 0.381 3.145 25.814 1.00 44.21 H new ATOM 0 HB3 ASN A 58 0.463 3.726 24.163 1.00 44.21 H new ATOM 0 HD21 ASN A 58 -1.947 6.285 24.562 1.00 25.13 H new ATOM 0 HD22 ASN A 58 -0.984 5.329 23.431 1.00 25.13 H new ATOM 933 N ASP A 59 -1.740 3.003 22.293 1.00 34.35 N ATOM 934 CA ASP A 59 -2.689 3.480 21.284 1.00 43.22 C ATOM 935 C ASP A 59 -3.598 2.365 20.741 1.00 13.24 C ATOM 936 O ASP A 59 -4.810 2.559 20.602 1.00 11.35 O ATOM 937 CB ASP A 59 -1.925 4.147 20.139 1.00 64.24 C ATOM 938 CG ASP A 59 -1.532 5.569 20.480 1.00 73.32 C ATOM 939 OD1 ASP A 59 -0.809 5.776 21.477 1.00 32.02 O ATOM 940 OD2 ASP A 59 -1.977 6.490 19.769 1.00 53.03 O1- ATOM 0 H ASP A 59 -0.768 2.997 21.984 1.00 34.35 H new ATOM 0 HA ASP A 59 -3.344 4.203 21.770 1.00 43.22 H new ATOM 0 HB2 ASP A 59 -1.031 3.567 19.912 1.00 64.24 H new ATOM 0 HB3 ASP A 59 -2.542 4.146 19.241 1.00 64.24 H new ATOM 945 N VAL A 60 -3.026 1.199 20.452 1.00 71.45 N ATOM 946 CA VAL A 60 -3.805 0.078 19.915 1.00 1.22 C ATOM 947 C VAL A 60 -4.833 -0.419 20.942 1.00 74.14 C ATOM 948 O VAL A 60 -5.912 -0.868 20.580 1.00 41.40 O ATOM 949 CB VAL A 60 -2.901 -1.104 19.463 1.00 34.32 C ATOM 950 CG1 VAL A 60 -2.227 -1.782 20.654 1.00 63.24 C ATOM 951 CG2 VAL A 60 -3.701 -2.116 18.641 1.00 35.53 C ATOM 0 H VAL A 60 -2.033 1.003 20.578 1.00 71.45 H new ATOM 0 HA VAL A 60 -4.328 0.455 19.036 1.00 1.22 H new ATOM 0 HB VAL A 60 -2.114 -0.694 18.830 1.00 34.32 H new ATOM 0 HG11 VAL A 60 -1.603 -2.603 20.300 1.00 63.24 H new ATOM 0 HG12 VAL A 60 -1.608 -1.057 21.182 1.00 63.24 H new ATOM 0 HG13 VAL A 60 -2.988 -2.170 21.330 1.00 63.24 H new ATOM 0 HG21 VAL A 60 -3.048 -2.934 18.336 1.00 35.53 H new ATOM 0 HG22 VAL A 60 -4.519 -2.510 19.245 1.00 35.53 H new ATOM 0 HG23 VAL A 60 -4.107 -1.626 17.756 1.00 35.53 H new ATOM 961 N ARG A 61 -4.501 -0.303 22.225 1.00 32.51 N ATOM 962 CA ARG A 61 -5.409 -0.719 23.301 1.00 21.14 C ATOM 963 C ARG A 61 -6.767 -0.003 23.195 1.00 51.34 C ATOM 964 O ARG A 61 -7.820 -0.626 23.316 1.00 50.25 O ATOM 965 CB ARG A 61 -4.764 -0.439 24.666 1.00 74.52 C ATOM 966 CG ARG A 61 -5.613 -0.858 25.865 1.00 1.01 C ATOM 967 CD ARG A 61 -4.863 -0.646 27.176 1.00 33.40 C ATOM 968 NE ARG A 61 -3.618 -1.410 27.216 1.00 12.14 N ATOM 969 CZ ARG A 61 -2.549 -1.051 27.875 1.00 13.32 C ATOM 970 NH1 ARG A 61 -2.535 0.030 28.588 1.00 70.20 N1+ ATOM 971 NH2 ARG A 61 -1.494 -1.795 27.827 1.00 24.42 N ATOM 0 H ARG A 61 -3.611 0.075 22.549 1.00 32.51 H new ATOM 0 HA ARG A 61 -5.588 -1.789 23.201 1.00 21.14 H new ATOM 0 HB2 ARG A 61 -3.807 -0.959 24.715 1.00 74.52 H new ATOM 0 HB3 ARG A 61 -4.552 0.627 24.742 1.00 74.52 H new ATOM 0 HG2 ARG A 61 -6.539 -0.283 25.876 1.00 1.01 H new ATOM 0 HG3 ARG A 61 -5.890 -1.908 25.768 1.00 1.01 H new ATOM 0 HD2 ARG A 61 -4.644 0.414 27.302 1.00 33.40 H new ATOM 0 HD3 ARG A 61 -5.498 -0.942 28.011 1.00 33.40 H new ATOM 0 HE ARG A 61 -3.581 -2.285 26.693 1.00 12.14 H new ATOM 0 HH11 ARG A 61 -3.368 0.616 28.641 1.00 70.20 H new ATOM 0 HH12 ARG A 61 -1.691 0.295 29.096 1.00 70.20 H new ATOM 0 HH21 ARG A 61 -1.501 -2.654 27.278 1.00 24.42 H new ATOM 0 HH22 ARG A 61 -0.654 -1.523 28.338 1.00 24.42 H new ATOM 985 N LYS A 62 -6.736 1.310 22.966 1.00 32.04 N ATOM 986 CA LYS A 62 -7.969 2.104 22.850 1.00 70.44 C ATOM 987 C LYS A 62 -8.513 2.141 21.406 1.00 71.31 C ATOM 988 O LYS A 62 -9.725 2.133 21.188 1.00 33.40 O ATOM 989 CB LYS A 62 -7.710 3.538 23.344 1.00 32.44 C ATOM 990 CG LYS A 62 -7.216 3.614 24.789 1.00 41.04 C ATOM 991 CD LYS A 62 -6.962 5.055 25.236 1.00 34.23 C ATOM 992 CE LYS A 62 -6.504 5.127 26.692 1.00 21.41 C ATOM 993 NZ LYS A 62 -6.318 6.528 27.157 1.00 71.25 N1+ ATOM 0 H LYS A 62 -5.877 1.849 22.857 1.00 32.04 H new ATOM 0 HA LYS A 62 -8.726 1.623 23.470 1.00 70.44 H new ATOM 0 HB2 LYS A 62 -6.973 4.009 22.693 1.00 32.44 H new ATOM 0 HB3 LYS A 62 -8.630 4.115 23.254 1.00 32.44 H new ATOM 0 HG2 LYS A 62 -7.953 3.155 25.448 1.00 41.04 H new ATOM 0 HG3 LYS A 62 -6.297 3.037 24.888 1.00 41.04 H new ATOM 0 HD2 LYS A 62 -6.205 5.506 24.594 1.00 34.23 H new ATOM 0 HD3 LYS A 62 -7.874 5.640 25.113 1.00 34.23 H new ATOM 0 HE2 LYS A 62 -7.238 4.630 27.326 1.00 21.41 H new ATOM 0 HE3 LYS A 62 -5.566 4.582 26.803 1.00 21.41 H new ATOM 0 HZ1 LYS A 62 -6.007 6.526 28.149 1.00 71.25 H new ATOM 0 HZ2 LYS A 62 -5.598 6.996 26.570 1.00 71.25 H new ATOM 0 HZ3 LYS A 62 -7.218 7.043 27.077 1.00 71.25 H new ATOM 1007 N LYS A 63 -7.616 2.171 20.420 1.00 10.24 N ATOM 1008 CA LYS A 63 -8.011 2.356 19.010 1.00 3.52 C ATOM 1009 C LYS A 63 -7.912 1.072 18.163 1.00 10.25 C ATOM 1010 O LYS A 63 -7.897 1.143 16.935 1.00 35.02 O ATOM 1011 CB LYS A 63 -7.197 3.490 18.362 1.00 33.32 C ATOM 1012 CG LYS A 63 -7.624 4.891 18.820 1.00 53.11 C ATOM 1013 CD LYS A 63 -6.753 5.455 19.944 1.00 11.54 C ATOM 1014 CE LYS A 63 -5.353 5.808 19.451 1.00 43.42 C ATOM 1015 NZ LYS A 63 -4.622 6.672 20.414 1.00 44.04 N1+ ATOM 0 H LYS A 63 -6.611 2.070 20.564 1.00 10.24 H new ATOM 0 HA LYS A 63 -9.066 2.628 19.029 1.00 3.52 H new ATOM 0 HB2 LYS A 63 -6.142 3.347 18.594 1.00 33.32 H new ATOM 0 HB3 LYS A 63 -7.297 3.425 17.279 1.00 33.32 H new ATOM 0 HG2 LYS A 63 -7.589 5.570 17.968 1.00 53.11 H new ATOM 0 HG3 LYS A 63 -8.660 4.855 19.157 1.00 53.11 H new ATOM 0 HD2 LYS A 63 -7.227 6.344 20.360 1.00 11.54 H new ATOM 0 HD3 LYS A 63 -6.681 4.725 20.750 1.00 11.54 H new ATOM 0 HE2 LYS A 63 -4.786 4.892 19.284 1.00 43.42 H new ATOM 0 HE3 LYS A 63 -5.425 6.318 18.490 1.00 43.42 H new ATOM 0 HZ1 LYS A 63 -3.598 6.536 20.294 1.00 44.04 H new ATOM 0 HZ2 LYS A 63 -4.862 7.668 20.238 1.00 44.04 H new ATOM 0 HZ3 LYS A 63 -4.894 6.417 21.385 1.00 44.04 H new ATOM 1029 N THR A 64 -7.843 -0.092 18.805 1.00 71.53 N ATOM 1030 CA THR A 64 -7.775 -1.375 18.072 1.00 73.02 C ATOM 1031 C THR A 64 -9.031 -1.628 17.221 1.00 3.02 C ATOM 1032 O THR A 64 -10.093 -1.051 17.466 1.00 51.24 O ATOM 1033 CB THR A 64 -7.600 -2.583 19.029 1.00 11.11 C ATOM 1034 OG1 THR A 64 -7.608 -3.816 18.287 1.00 20.21 O ATOM 1035 CG2 THR A 64 -8.700 -2.612 20.088 1.00 63.31 C ATOM 0 H THR A 64 -7.832 -0.184 19.821 1.00 71.53 H new ATOM 0 HA THR A 64 -6.904 -1.287 17.422 1.00 73.02 H new ATOM 0 HB THR A 64 -6.639 -2.472 19.532 1.00 11.11 H new ATOM 0 HG1 THR A 64 -7.969 -4.533 18.849 1.00 20.21 H new ATOM 0 HG21 THR A 64 -8.551 -3.470 20.744 1.00 63.31 H new ATOM 0 HG22 THR A 64 -8.663 -1.695 20.676 1.00 63.31 H new ATOM 0 HG23 THR A 64 -9.672 -2.692 19.601 1.00 63.31 H new ATOM 1043 N LYS A 65 -8.892 -2.514 16.230 1.00 41.34 N ATOM 1044 CA LYS A 65 -9.991 -2.871 15.319 1.00 1.41 C ATOM 1045 C LYS A 65 -11.259 -3.289 16.088 1.00 32.23 C ATOM 1046 O LYS A 65 -12.355 -2.794 15.820 1.00 1.22 O ATOM 1047 CB LYS A 65 -9.529 -3.993 14.369 1.00 21.20 C ATOM 1048 CG LYS A 65 -8.868 -5.175 15.083 1.00 30.21 C ATOM 1049 CD LYS A 65 -8.190 -6.139 14.109 1.00 73.15 C ATOM 1050 CE LYS A 65 -9.191 -6.902 13.249 1.00 75.23 C ATOM 1051 NZ LYS A 65 -8.509 -7.780 12.261 1.00 55.52 N1+ ATOM 0 H LYS A 65 -8.019 -3.004 16.035 1.00 41.34 H new ATOM 0 HA LYS A 65 -10.252 -1.989 14.734 1.00 1.41 H new ATOM 0 HB2 LYS A 65 -10.389 -4.356 13.805 1.00 21.20 H new ATOM 0 HB3 LYS A 65 -8.826 -3.578 13.647 1.00 21.20 H new ATOM 0 HG2 LYS A 65 -8.130 -4.801 15.792 1.00 30.21 H new ATOM 0 HG3 LYS A 65 -9.620 -5.714 15.660 1.00 30.21 H new ATOM 0 HD2 LYS A 65 -7.513 -5.581 13.463 1.00 73.15 H new ATOM 0 HD3 LYS A 65 -7.582 -6.849 14.670 1.00 73.15 H new ATOM 0 HE2 LYS A 65 -9.835 -7.505 13.889 1.00 75.23 H new ATOM 0 HE3 LYS A 65 -9.834 -6.195 12.725 1.00 75.23 H new ATOM 0 HZ1 LYS A 65 -8.976 -7.690 11.336 1.00 55.52 H new ATOM 0 HZ2 LYS A 65 -7.512 -7.496 12.174 1.00 55.52 H new ATOM 0 HZ3 LYS A 65 -8.561 -8.768 12.581 1.00 55.52 H new ATOM 1065 N ASN A 66 -11.103 -4.203 17.041 1.00 31.12 N ATOM 1066 CA ASN A 66 -12.216 -4.642 17.888 1.00 72.43 C ATOM 1067 C ASN A 66 -11.847 -4.494 19.374 1.00 52.33 C ATOM 1068 O ASN A 66 -10.825 -5.023 19.818 1.00 33.33 O ATOM 1069 CB ASN A 66 -12.578 -6.100 17.568 1.00 63.02 C ATOM 1070 CG ASN A 66 -13.893 -6.538 18.194 1.00 52.20 C ATOM 1071 OD1 ASN A 66 -14.308 -6.038 19.238 1.00 51.15 O ATOM 1072 ND2 ASN A 66 -14.557 -7.483 17.566 1.00 74.24 N ATOM 0 H ASN A 66 -10.214 -4.658 17.249 1.00 31.12 H new ATOM 0 HA ASN A 66 -13.083 -4.014 17.684 1.00 72.43 H new ATOM 0 HB2 ASN A 66 -12.638 -6.225 16.487 1.00 63.02 H new ATOM 0 HB3 ASN A 66 -11.779 -6.752 17.921 1.00 63.02 H new ATOM 0 HD21 ASN A 66 -15.442 -7.821 17.943 1.00 74.24 H new ATOM 0 HD22 ASN A 66 -14.187 -7.878 16.702 1.00 74.24 H new ATOM 1079 N GLU A 67 -12.677 -3.781 20.138 1.00 12.52 N ATOM 1080 CA GLU A 67 -12.438 -3.587 21.578 1.00 44.24 C ATOM 1081 C GLU A 67 -12.278 -4.934 22.310 1.00 21.41 C ATOM 1082 O GLU A 67 -11.420 -5.085 23.180 1.00 75.33 O ATOM 1083 CB GLU A 67 -13.586 -2.773 22.194 1.00 22.11 C ATOM 1084 CG GLU A 67 -13.468 -2.541 23.702 1.00 24.22 C ATOM 1085 CD GLU A 67 -12.213 -1.774 24.106 1.00 52.32 C ATOM 1086 OE1 GLU A 67 -12.029 -0.630 23.639 1.00 50.11 O ATOM 1087 OE2 GLU A 67 -11.423 -2.301 24.917 1.00 13.44 O1- ATOM 0 H GLU A 67 -13.521 -3.327 19.788 1.00 12.52 H new ATOM 0 HA GLU A 67 -11.505 -3.036 21.696 1.00 44.24 H new ATOM 0 HB2 GLU A 67 -13.636 -1.806 21.694 1.00 22.11 H new ATOM 0 HB3 GLU A 67 -14.526 -3.286 21.991 1.00 22.11 H new ATOM 0 HG2 GLU A 67 -14.345 -1.993 24.046 1.00 24.22 H new ATOM 0 HG3 GLU A 67 -13.474 -3.505 24.211 1.00 24.22 H new ATOM 1094 N GLU A 68 -13.096 -5.917 21.934 1.00 72.15 N ATOM 1095 CA GLU A 68 -13.005 -7.265 22.507 1.00 12.23 C ATOM 1096 C GLU A 68 -11.649 -7.918 22.181 1.00 60.31 C ATOM 1097 O GLU A 68 -11.081 -8.644 22.999 1.00 34.42 O ATOM 1098 CB GLU A 68 -14.149 -8.145 21.982 1.00 72.20 C ATOM 1099 CG GLU A 68 -15.544 -7.627 22.325 1.00 10.52 C ATOM 1100 CD GLU A 68 -16.644 -8.586 21.898 1.00 14.04 C ATOM 1101 OE1 GLU A 68 -17.267 -8.362 20.840 1.00 65.54 O ATOM 1102 OE2 GLU A 68 -16.879 -9.583 22.617 1.00 24.51 O1- ATOM 0 H GLU A 68 -13.830 -5.808 21.235 1.00 72.15 H new ATOM 0 HA GLU A 68 -13.090 -7.175 23.590 1.00 12.23 H new ATOM 0 HB2 GLU A 68 -14.061 -8.229 20.899 1.00 72.20 H new ATOM 0 HB3 GLU A 68 -14.036 -9.150 22.389 1.00 72.20 H new ATOM 0 HG2 GLU A 68 -15.611 -7.458 23.400 1.00 10.52 H new ATOM 0 HG3 GLU A 68 -15.699 -6.663 21.841 1.00 10.52 H new ATOM 1109 N LEU A 69 -11.130 -7.634 20.987 1.00 72.44 N ATOM 1110 CA LEU A 69 -9.839 -8.175 20.547 1.00 75.10 C ATOM 1111 C LEU A 69 -8.699 -7.706 21.468 1.00 12.53 C ATOM 1112 O LEU A 69 -7.763 -8.456 21.732 1.00 75.42 O ATOM 1113 CB LEU A 69 -9.572 -7.778 19.082 1.00 52.01 C ATOM 1114 CG LEU A 69 -8.306 -8.380 18.428 1.00 1.01 C ATOM 1115 CD1 LEU A 69 -8.496 -8.519 16.918 1.00 63.22 C ATOM 1116 CD2 LEU A 69 -7.069 -7.523 18.720 1.00 70.24 C ATOM 0 H LEU A 69 -11.584 -7.030 20.302 1.00 72.44 H new ATOM 0 HA LEU A 69 -9.879 -9.263 20.608 1.00 75.10 H new ATOM 0 HB2 LEU A 69 -10.437 -8.070 18.486 1.00 52.01 H new ATOM 0 HB3 LEU A 69 -9.500 -6.692 19.030 1.00 52.01 H new ATOM 0 HG LEU A 69 -8.149 -9.368 18.860 1.00 1.01 H new ATOM 0 HD11 LEU A 69 -7.595 -8.944 16.476 1.00 63.22 H new ATOM 0 HD12 LEU A 69 -9.343 -9.175 16.717 1.00 63.22 H new ATOM 0 HD13 LEU A 69 -8.685 -7.538 16.483 1.00 63.22 H new ATOM 0 HD21 LEU A 69 -6.195 -7.972 18.247 1.00 70.24 H new ATOM 0 HD22 LEU A 69 -7.220 -6.519 18.324 1.00 70.24 H new ATOM 0 HD23 LEU A 69 -6.910 -7.468 19.797 1.00 70.24 H new ATOM 1128 N ALA A 70 -8.788 -6.468 21.959 1.00 4.43 N ATOM 1129 CA ALA A 70 -7.760 -5.909 22.853 1.00 54.20 C ATOM 1130 C ALA A 70 -7.540 -6.791 24.096 1.00 51.44 C ATOM 1131 O ALA A 70 -6.423 -6.898 24.608 1.00 15.32 O ATOM 1132 CB ALA A 70 -8.138 -4.492 23.267 1.00 44.15 C ATOM 0 H ALA A 70 -9.558 -5.831 21.756 1.00 4.43 H new ATOM 0 HA ALA A 70 -6.820 -5.883 22.301 1.00 54.20 H new ATOM 0 HB1 ALA A 70 -7.371 -4.089 23.928 1.00 44.15 H new ATOM 0 HB2 ALA A 70 -8.220 -3.863 22.380 1.00 44.15 H new ATOM 0 HB3 ALA A 70 -9.094 -4.509 23.789 1.00 44.15 H new ATOM 1138 N LYS A 71 -8.615 -7.410 24.580 1.00 60.01 N ATOM 1139 CA LYS A 71 -8.527 -8.371 25.690 1.00 45.54 C ATOM 1140 C LYS A 71 -7.788 -9.647 25.248 1.00 14.54 C ATOM 1141 O LYS A 71 -6.998 -10.222 25.998 1.00 53.33 O ATOM 1142 CB LYS A 71 -9.932 -8.734 26.213 1.00 44.23 C ATOM 1143 CG LYS A 71 -10.665 -7.594 26.931 1.00 4.21 C ATOM 1144 CD LYS A 71 -11.014 -6.441 25.992 1.00 45.05 C ATOM 1145 CE LYS A 71 -11.764 -5.328 26.712 1.00 23.32 C ATOM 1146 NZ LYS A 71 -13.074 -5.789 27.247 1.00 11.53 N1+ ATOM 0 H LYS A 71 -9.560 -7.267 24.224 1.00 60.01 H new ATOM 0 HA LYS A 71 -7.964 -7.900 26.496 1.00 45.54 H new ATOM 0 HB2 LYS A 71 -10.542 -9.067 25.373 1.00 44.23 H new ATOM 0 HB3 LYS A 71 -9.843 -9.578 26.897 1.00 44.23 H new ATOM 0 HG2 LYS A 71 -11.579 -7.981 27.382 1.00 4.21 H new ATOM 0 HG3 LYS A 71 -10.042 -7.221 27.744 1.00 4.21 H new ATOM 0 HD2 LYS A 71 -10.100 -6.039 25.556 1.00 45.05 H new ATOM 0 HD3 LYS A 71 -11.623 -6.815 25.169 1.00 45.05 H new ATOM 0 HE2 LYS A 71 -11.152 -4.950 27.531 1.00 23.32 H new ATOM 0 HE3 LYS A 71 -11.926 -4.497 26.025 1.00 23.32 H new ATOM 0 HZ1 LYS A 71 -13.636 -4.966 27.546 1.00 11.53 H new ATOM 0 HZ2 LYS A 71 -13.588 -6.309 26.507 1.00 11.53 H new ATOM 0 HZ3 LYS A 71 -12.915 -6.414 28.063 1.00 11.53 H new ATOM 1160 N ARG A 72 -8.065 -10.084 24.021 1.00 30.33 N ATOM 1161 CA ARG A 72 -7.435 -11.282 23.440 1.00 52.14 C ATOM 1162 C ARG A 72 -5.958 -11.035 23.097 1.00 23.12 C ATOM 1163 O ARG A 72 -5.120 -11.932 23.213 1.00 33.52 O ATOM 1164 CB ARG A 72 -8.203 -11.727 22.187 1.00 41.44 C ATOM 1165 CG ARG A 72 -9.688 -11.975 22.438 1.00 44.21 C ATOM 1166 CD ARG A 72 -9.914 -12.965 23.577 1.00 51.43 C ATOM 1167 NE ARG A 72 -11.328 -13.113 23.903 1.00 62.01 N ATOM 1168 CZ ARG A 72 -11.791 -13.272 25.114 1.00 65.21 C ATOM 1169 NH1 ARG A 72 -10.986 -13.310 26.131 1.00 71.01 N1+ ATOM 1170 NH2 ARG A 72 -13.062 -13.384 25.306 1.00 40.22 N ATOM 0 H ARG A 72 -8.729 -9.624 23.398 1.00 30.33 H new ATOM 0 HA ARG A 72 -7.474 -12.075 24.187 1.00 52.14 H new ATOM 0 HB2 ARG A 72 -8.096 -10.965 21.415 1.00 41.44 H new ATOM 0 HB3 ARG A 72 -7.751 -12.640 21.799 1.00 41.44 H new ATOM 0 HG2 ARG A 72 -10.179 -11.031 22.674 1.00 44.21 H new ATOM 0 HG3 ARG A 72 -10.151 -12.356 21.528 1.00 44.21 H new ATOM 0 HD2 ARG A 72 -9.503 -13.936 23.300 1.00 51.43 H new ATOM 0 HD3 ARG A 72 -9.372 -12.630 24.461 1.00 51.43 H new ATOM 0 HE ARG A 72 -11.999 -13.091 23.135 1.00 62.01 H new ATOM 0 HH11 ARG A 72 -9.980 -13.215 25.989 1.00 71.01 H new ATOM 0 HH12 ARG A 72 -11.359 -13.435 27.072 1.00 71.01 H new ATOM 0 HH21 ARG A 72 -13.703 -13.348 24.513 1.00 40.22 H new ATOM 0 HH22 ARG A 72 -13.426 -13.508 26.251 1.00 40.22 H new ATOM 1184 N ALA A 73 -5.658 -9.801 22.696 1.00 2.44 N ATOM 1185 CA ALA A 73 -4.322 -9.407 22.240 1.00 10.14 C ATOM 1186 C ALA A 73 -3.254 -9.660 23.312 1.00 33.22 C ATOM 1187 O ALA A 73 -2.097 -9.925 22.991 1.00 41.43 O ATOM 1188 CB ALA A 73 -4.320 -7.936 21.825 1.00 5.53 C ATOM 0 H ALA A 73 -6.337 -9.040 22.677 1.00 2.44 H new ATOM 0 HA ALA A 73 -4.072 -10.025 21.377 1.00 10.14 H new ATOM 0 HB1 ALA A 73 -3.322 -7.654 21.488 1.00 5.53 H new ATOM 0 HB2 ALA A 73 -5.033 -7.786 21.014 1.00 5.53 H new ATOM 0 HB3 ALA A 73 -4.603 -7.317 22.676 1.00 5.53 H new ATOM 1194 N LYS A 74 -3.654 -9.590 24.582 1.00 53.11 N ATOM 1195 CA LYS A 74 -2.724 -9.772 25.703 1.00 73.44 C ATOM 1196 C LYS A 74 -1.909 -11.072 25.567 1.00 32.02 C ATOM 1197 O LYS A 74 -0.721 -11.099 25.892 1.00 65.23 O ATOM 1198 CB LYS A 74 -3.494 -9.770 27.030 1.00 14.23 C ATOM 1199 CG LYS A 74 -2.612 -10.000 28.257 1.00 51.42 C ATOM 1200 CD LYS A 74 -3.398 -9.861 29.559 1.00 35.44 C ATOM 1201 CE LYS A 74 -3.948 -8.449 29.738 1.00 74.55 C ATOM 1202 NZ LYS A 74 -4.757 -8.319 30.976 1.00 1.20 N1+ ATOM 0 H LYS A 74 -4.617 -9.408 24.863 1.00 53.11 H new ATOM 0 HA LYS A 74 -2.021 -8.939 25.688 1.00 73.44 H new ATOM 0 HB2 LYS A 74 -4.009 -8.816 27.139 1.00 14.23 H new ATOM 0 HB3 LYS A 74 -4.261 -10.544 26.995 1.00 14.23 H new ATOM 0 HG2 LYS A 74 -2.170 -10.995 28.205 1.00 51.42 H new ATOM 0 HG3 LYS A 74 -1.789 -9.285 28.252 1.00 51.42 H new ATOM 0 HD2 LYS A 74 -4.221 -10.576 29.565 1.00 35.44 H new ATOM 0 HD3 LYS A 74 -2.753 -10.110 30.402 1.00 35.44 H new ATOM 0 HE2 LYS A 74 -3.121 -7.739 29.769 1.00 74.55 H new ATOM 0 HE3 LYS A 74 -4.561 -8.187 28.876 1.00 74.55 H new ATOM 0 HZ1 LYS A 74 -5.111 -7.345 31.059 1.00 1.20 H new ATOM 0 HZ2 LYS A 74 -5.561 -8.977 30.936 1.00 1.20 H new ATOM 0 HZ3 LYS A 74 -4.166 -8.544 31.802 1.00 1.20 H new ATOM 1216 N LYS A 75 -2.540 -12.141 25.073 1.00 64.12 N ATOM 1217 CA LYS A 75 -1.827 -13.402 24.824 1.00 40.42 C ATOM 1218 C LYS A 75 -0.620 -13.178 23.892 1.00 20.03 C ATOM 1219 O LYS A 75 0.482 -13.656 24.160 1.00 13.21 O ATOM 1220 CB LYS A 75 -2.769 -14.456 24.207 1.00 63.42 C ATOM 1221 CG LYS A 75 -3.589 -15.265 25.218 1.00 62.10 C ATOM 1222 CD LYS A 75 -4.680 -14.445 25.910 1.00 71.34 C ATOM 1223 CE LYS A 75 -5.513 -15.318 26.849 1.00 42.23 C ATOM 1224 NZ LYS A 75 -6.609 -14.562 27.510 1.00 73.31 N1+ ATOM 0 H LYS A 75 -3.533 -12.162 24.839 1.00 64.12 H new ATOM 0 HA LYS A 75 -1.467 -13.770 25.785 1.00 40.42 H new ATOM 0 HB2 LYS A 75 -3.455 -13.953 23.525 1.00 63.42 H new ATOM 0 HB3 LYS A 75 -2.174 -15.147 23.609 1.00 63.42 H new ATOM 0 HG2 LYS A 75 -4.049 -16.111 24.707 1.00 62.10 H new ATOM 0 HG3 LYS A 75 -2.919 -15.675 25.973 1.00 62.10 H new ATOM 0 HD2 LYS A 75 -4.225 -13.631 26.474 1.00 71.34 H new ATOM 0 HD3 LYS A 75 -5.328 -13.990 25.161 1.00 71.34 H new ATOM 0 HE2 LYS A 75 -5.938 -16.149 26.285 1.00 42.23 H new ATOM 0 HE3 LYS A 75 -4.863 -15.749 27.611 1.00 42.23 H new ATOM 0 HZ1 LYS A 75 -7.143 -15.199 28.135 1.00 73.31 H new ATOM 0 HZ2 LYS A 75 -6.205 -13.785 28.071 1.00 73.31 H new ATOM 0 HZ3 LYS A 75 -7.247 -14.172 26.787 1.00 73.31 H new ATOM 1238 N LEU A 76 -0.844 -12.448 22.800 1.00 12.30 N ATOM 1239 CA LEU A 76 0.220 -12.132 21.832 1.00 74.45 C ATOM 1240 C LEU A 76 1.245 -11.150 22.428 1.00 44.11 C ATOM 1241 O LEU A 76 2.457 -11.346 22.311 1.00 73.33 O ATOM 1242 CB LEU A 76 -0.376 -11.539 20.539 1.00 74.33 C ATOM 1243 CG LEU A 76 -1.242 -12.494 19.690 1.00 65.34 C ATOM 1244 CD1 LEU A 76 -2.546 -12.848 20.406 1.00 32.01 C ATOM 1245 CD2 LEU A 76 -1.531 -11.877 18.321 1.00 1.03 C ATOM 0 H LEU A 76 -1.756 -12.060 22.558 1.00 12.30 H new ATOM 0 HA LEU A 76 0.732 -13.065 21.594 1.00 74.45 H new ATOM 0 HB2 LEU A 76 -0.982 -10.673 20.806 1.00 74.33 H new ATOM 0 HB3 LEU A 76 0.443 -11.176 19.919 1.00 74.33 H new ATOM 0 HG LEU A 76 -0.681 -13.417 19.546 1.00 65.34 H new ATOM 0 HD11 LEU A 76 -3.133 -13.522 19.782 1.00 32.01 H new ATOM 0 HD12 LEU A 76 -2.320 -13.336 21.354 1.00 32.01 H new ATOM 0 HD13 LEU A 76 -3.116 -11.938 20.594 1.00 32.01 H new ATOM 0 HD21 LEU A 76 -2.143 -12.563 17.735 1.00 1.03 H new ATOM 0 HD22 LEU A 76 -2.065 -10.936 18.452 1.00 1.03 H new ATOM 0 HD23 LEU A 76 -0.592 -11.692 17.800 1.00 1.03 H new ATOM 1257 N LEU A 77 0.743 -10.091 23.065 1.00 73.41 N ATOM 1258 CA LEU A 77 1.596 -9.066 23.682 1.00 34.23 C ATOM 1259 C LEU A 77 2.527 -9.658 24.754 1.00 50.13 C ATOM 1260 O LEU A 77 3.638 -9.168 24.953 1.00 52.11 O ATOM 1261 CB LEU A 77 0.739 -7.937 24.282 1.00 32.01 C ATOM 1262 CG LEU A 77 0.293 -6.835 23.294 1.00 74.22 C ATOM 1263 CD1 LEU A 77 -0.453 -7.422 22.096 1.00 33.35 C ATOM 1264 CD2 LEU A 77 -0.566 -5.793 24.007 1.00 32.33 C ATOM 0 H LEU A 77 -0.257 -9.917 23.169 1.00 73.41 H new ATOM 0 HA LEU A 77 2.225 -8.653 22.893 1.00 34.23 H new ATOM 0 HB2 LEU A 77 -0.151 -8.380 24.729 1.00 32.01 H new ATOM 0 HB3 LEU A 77 1.302 -7.469 25.090 1.00 32.01 H new ATOM 0 HG LEU A 77 1.191 -6.347 22.914 1.00 74.22 H new ATOM 0 HD11 LEU A 77 -0.751 -6.618 21.423 1.00 33.35 H new ATOM 0 HD12 LEU A 77 0.199 -8.116 21.566 1.00 33.35 H new ATOM 0 HD13 LEU A 77 -1.340 -7.952 22.444 1.00 33.35 H new ATOM 0 HD21 LEU A 77 -0.871 -5.025 23.296 1.00 32.33 H new ATOM 0 HD22 LEU A 77 -1.451 -6.274 24.423 1.00 32.33 H new ATOM 0 HD23 LEU A 77 0.010 -5.335 24.811 1.00 32.33 H new ATOM 1276 N ARG A 78 2.072 -10.702 25.447 1.00 22.15 N ATOM 1277 CA ARG A 78 2.903 -11.382 26.454 1.00 12.43 C ATOM 1278 C ARG A 78 4.230 -11.887 25.864 1.00 44.12 C ATOM 1279 O ARG A 78 5.247 -11.920 26.557 1.00 70.41 O ATOM 1280 CB ARG A 78 2.128 -12.536 27.115 1.00 3.01 C ATOM 1281 CG ARG A 78 1.154 -12.066 28.195 1.00 34.02 C ATOM 1282 CD ARG A 78 1.893 -11.415 29.365 1.00 65.10 C ATOM 1283 NE ARG A 78 1.001 -10.670 30.255 1.00 12.01 N ATOM 1284 CZ ARG A 78 1.381 -9.648 30.975 1.00 32.43 C ATOM 1285 NH1 ARG A 78 2.631 -9.309 31.023 1.00 13.43 N1+ ATOM 1286 NH2 ARG A 78 0.516 -8.988 31.679 1.00 32.12 N ATOM 0 H ARG A 78 1.139 -11.097 25.334 1.00 22.15 H new ATOM 0 HA ARG A 78 3.148 -10.644 27.218 1.00 12.43 H new ATOM 0 HB2 ARG A 78 1.576 -13.080 26.349 1.00 3.01 H new ATOM 0 HB3 ARG A 78 2.838 -13.237 27.555 1.00 3.01 H new ATOM 0 HG2 ARG A 78 0.448 -11.354 27.766 1.00 34.02 H new ATOM 0 HG3 ARG A 78 0.572 -12.914 28.556 1.00 34.02 H new ATOM 0 HD2 ARG A 78 2.409 -12.186 29.937 1.00 65.10 H new ATOM 0 HD3 ARG A 78 2.657 -10.741 28.977 1.00 65.10 H new ATOM 0 HE ARG A 78 0.027 -10.966 30.317 1.00 12.01 H new ATOM 0 HH11 ARG A 78 3.324 -9.841 30.497 1.00 13.43 H new ATOM 0 HH12 ARG A 78 2.921 -8.510 31.587 1.00 13.43 H new ATOM 0 HH21 ARG A 78 -0.465 -9.266 31.672 1.00 32.12 H new ATOM 0 HH22 ARG A 78 0.817 -8.191 32.240 1.00 32.12 H new ATOM 1300 N SER A 79 4.222 -12.254 24.582 1.00 11.23 N ATOM 1301 CA SER A 79 5.457 -12.653 23.889 1.00 22.21 C ATOM 1302 C SER A 79 6.470 -11.495 23.869 1.00 33.12 C ATOM 1303 O SER A 79 7.679 -11.712 23.818 1.00 63.52 O ATOM 1304 CB SER A 79 5.153 -13.109 22.452 1.00 60.21 C ATOM 1305 OG SER A 79 4.263 -14.219 22.437 1.00 41.42 O ATOM 0 H SER A 79 3.383 -12.285 24.002 1.00 11.23 H new ATOM 0 HA SER A 79 5.892 -13.489 24.437 1.00 22.21 H new ATOM 0 HB2 SER A 79 4.716 -12.283 21.891 1.00 60.21 H new ATOM 0 HB3 SER A 79 6.082 -13.379 21.950 1.00 60.21 H new ATOM 0 HG SER A 79 4.087 -14.485 21.510 1.00 41.42 H new ATOM 1311 N TRP A 80 5.960 -10.260 23.906 1.00 61.04 N ATOM 1312 CA TRP A 80 6.807 -9.059 23.989 1.00 11.00 C ATOM 1313 C TRP A 80 7.140 -8.740 25.457 1.00 31.44 C ATOM 1314 O TRP A 80 8.284 -8.469 25.811 1.00 34.14 O ATOM 1315 CB TRP A 80 6.096 -7.835 23.385 1.00 32.41 C ATOM 1316 CG TRP A 80 5.448 -8.053 22.046 1.00 61.31 C ATOM 1317 CD1 TRP A 80 5.493 -9.168 21.260 1.00 25.45 C ATOM 1318 CD2 TRP A 80 4.646 -7.101 21.341 1.00 74.43 C ATOM 1319 NE1 TRP A 80 4.761 -8.967 20.116 1.00 44.34 N ATOM 1320 CE2 TRP A 80 4.232 -7.705 20.143 1.00 62.24 C ATOM 1321 CE3 TRP A 80 4.237 -5.793 21.616 1.00 2.21 C ATOM 1322 CZ2 TRP A 80 3.426 -7.046 19.218 1.00 41.13 C ATOM 1323 CZ3 TRP A 80 3.438 -5.139 20.699 1.00 34.23 C ATOM 1324 CH2 TRP A 80 3.040 -5.765 19.511 1.00 30.11 C ATOM 0 H TRP A 80 4.960 -10.062 23.880 1.00 61.04 H new ATOM 0 HA TRP A 80 7.718 -9.266 23.428 1.00 11.00 H new ATOM 0 HB2 TRP A 80 5.333 -7.498 24.087 1.00 32.41 H new ATOM 0 HB3 TRP A 80 6.821 -7.027 23.290 1.00 32.41 H new ATOM 0 HD1 TRP A 80 6.026 -10.075 21.502 1.00 25.45 H new ATOM 0 HE1 TRP A 80 4.632 -9.648 19.367 1.00 44.34 H new ATOM 0 HE3 TRP A 80 4.540 -5.303 22.529 1.00 2.21 H new ATOM 0 HZ2 TRP A 80 3.116 -7.528 18.302 1.00 41.13 H new ATOM 0 HZ3 TRP A 80 3.115 -4.129 20.901 1.00 34.23 H new ATOM 0 HH2 TRP A 80 2.416 -5.227 18.812 1.00 30.11 H new ATOM 1335 N GLN A 81 6.103 -8.784 26.296 1.00 21.04 N ATOM 1336 CA GLN A 81 6.187 -8.443 27.728 1.00 10.22 C ATOM 1337 C GLN A 81 7.244 -9.267 28.489 1.00 65.24 C ATOM 1338 O GLN A 81 7.621 -8.918 29.609 1.00 71.04 O ATOM 1339 CB GLN A 81 4.810 -8.591 28.394 1.00 43.01 C ATOM 1340 CG GLN A 81 3.728 -7.702 27.780 1.00 71.22 C ATOM 1341 CD GLN A 81 4.080 -6.221 27.811 1.00 1.23 C ATOM 1342 OE1 GLN A 81 3.773 -5.515 28.764 1.00 15.12 O ATOM 1343 NE2 GLN A 81 4.723 -5.736 26.765 1.00 40.42 N ATOM 0 H GLN A 81 5.166 -9.060 26.001 1.00 21.04 H new ATOM 0 HA GLN A 81 6.509 -7.403 27.781 1.00 10.22 H new ATOM 0 HB2 GLN A 81 4.494 -9.632 28.325 1.00 43.01 H new ATOM 0 HB3 GLN A 81 4.902 -8.355 29.454 1.00 43.01 H new ATOM 0 HG2 GLN A 81 3.559 -8.007 26.747 1.00 71.22 H new ATOM 0 HG3 GLN A 81 2.792 -7.858 28.316 1.00 71.22 H new ATOM 0 HE21 GLN A 81 4.965 -6.349 25.986 1.00 40.42 H new ATOM 0 HE22 GLN A 81 4.978 -4.749 26.736 1.00 40.42 H new ATOM 1352 N LYS A 82 7.721 -10.353 27.881 1.00 53.04 N ATOM 1353 CA LYS A 82 8.682 -11.254 28.536 1.00 34.13 C ATOM 1354 C LYS A 82 9.945 -10.510 29.013 1.00 34.34 C ATOM 1355 O LYS A 82 10.673 -11.004 29.875 1.00 62.25 O ATOM 1356 CB LYS A 82 9.109 -12.364 27.564 1.00 65.24 C ATOM 1357 CG LYS A 82 9.810 -11.835 26.318 1.00 74.31 C ATOM 1358 CD LYS A 82 10.658 -12.900 25.624 1.00 53.24 C ATOM 1359 CE LYS A 82 9.838 -14.098 25.165 1.00 45.44 C ATOM 1360 NZ LYS A 82 10.676 -15.091 24.440 1.00 42.32 N1+ ATOM 0 H LYS A 82 7.460 -10.634 26.936 1.00 53.04 H new ATOM 0 HA LYS A 82 8.179 -11.676 29.406 1.00 34.13 H new ATOM 0 HB2 LYS A 82 9.775 -13.055 28.082 1.00 65.24 H new ATOM 0 HB3 LYS A 82 8.229 -12.933 27.264 1.00 65.24 H new ATOM 0 HG2 LYS A 82 9.064 -11.457 25.619 1.00 74.31 H new ATOM 0 HG3 LYS A 82 10.445 -10.993 26.593 1.00 74.31 H new ATOM 0 HD2 LYS A 82 11.158 -12.456 24.763 1.00 53.24 H new ATOM 0 HD3 LYS A 82 11.438 -13.239 26.306 1.00 53.24 H new ATOM 0 HE2 LYS A 82 9.374 -14.574 26.029 1.00 45.44 H new ATOM 0 HE3 LYS A 82 9.031 -13.760 24.516 1.00 45.44 H new ATOM 0 HZ1 LYS A 82 10.451 -16.048 24.778 1.00 42.32 H new ATOM 0 HZ2 LYS A 82 10.482 -15.030 23.420 1.00 42.32 H new ATOM 0 HZ3 LYS A 82 11.681 -14.890 24.614 1.00 42.32 H new ATOM 1374 N LEU A 83 10.198 -9.324 28.459 1.00 20.22 N ATOM 1375 CA LEU A 83 11.354 -8.515 28.864 1.00 52.44 C ATOM 1376 C LEU A 83 11.184 -7.901 30.273 1.00 35.41 C ATOM 1377 O LEU A 83 12.174 -7.580 30.933 1.00 33.23 O ATOM 1378 CB LEU A 83 11.657 -7.437 27.798 1.00 1.04 C ATOM 1379 CG LEU A 83 10.437 -6.713 27.182 1.00 43.31 C ATOM 1380 CD1 LEU A 83 9.811 -5.725 28.161 1.00 35.22 C ATOM 1381 CD2 LEU A 83 10.822 -6.010 25.879 1.00 4.10 C ATOM 0 H LEU A 83 9.622 -8.901 27.731 1.00 20.22 H new ATOM 0 HA LEU A 83 12.214 -9.181 28.930 1.00 52.44 H new ATOM 0 HB2 LEU A 83 12.308 -6.687 28.247 1.00 1.04 H new ATOM 0 HB3 LEU A 83 12.220 -7.905 26.990 1.00 1.04 H new ATOM 0 HG LEU A 83 9.688 -7.473 26.958 1.00 43.31 H new ATOM 0 HD11 LEU A 83 8.957 -5.237 27.690 1.00 35.22 H new ATOM 0 HD12 LEU A 83 9.479 -6.257 29.052 1.00 35.22 H new ATOM 0 HD13 LEU A 83 10.549 -4.973 28.441 1.00 35.22 H new ATOM 0 HD21 LEU A 83 9.948 -5.508 25.464 1.00 4.10 H new ATOM 0 HD22 LEU A 83 11.602 -5.275 26.079 1.00 4.10 H new ATOM 0 HD23 LEU A 83 11.191 -6.745 25.164 1.00 4.10 H new ATOM 1393 N ILE A 84 9.936 -7.723 30.728 1.00 65.14 N ATOM 1394 CA ILE A 84 9.675 -7.257 32.108 1.00 32.42 C ATOM 1395 C ILE A 84 9.154 -8.386 33.023 1.00 43.42 C ATOM 1396 O ILE A 84 9.310 -8.326 34.247 1.00 4.32 O ATOM 1397 CB ILE A 84 8.655 -6.087 32.141 1.00 43.31 C ATOM 1398 CG1 ILE A 84 7.344 -6.491 31.442 1.00 73.21 C ATOM 1399 CG2 ILE A 84 9.253 -4.830 31.511 1.00 11.40 C ATOM 1400 CD1 ILE A 84 6.265 -5.428 31.488 1.00 24.41 C ATOM 0 H ILE A 84 9.097 -7.891 30.173 1.00 65.14 H new ATOM 0 HA ILE A 84 10.639 -6.912 32.483 1.00 32.42 H new ATOM 0 HB ILE A 84 8.424 -5.860 33.182 1.00 43.31 H new ATOM 0 HG12 ILE A 84 7.559 -6.730 30.401 1.00 73.21 H new ATOM 0 HG13 ILE A 84 6.963 -7.401 31.906 1.00 73.21 H new ATOM 0 HG21 ILE A 84 8.521 -4.023 31.545 1.00 11.40 H new ATOM 0 HG22 ILE A 84 10.145 -4.535 32.064 1.00 11.40 H new ATOM 0 HG23 ILE A 84 9.520 -5.034 30.474 1.00 11.40 H new ATOM 0 HD11 ILE A 84 5.375 -5.791 30.974 1.00 24.41 H new ATOM 0 HD12 ILE A 84 6.019 -5.204 32.526 1.00 24.41 H new ATOM 0 HD13 ILE A 84 6.624 -4.523 30.997 1.00 24.41 H new ATOM 1412 N GLU A 85 8.550 -9.418 32.427 1.00 41.45 N ATOM 1413 CA GLU A 85 7.994 -10.554 33.186 1.00 72.04 C ATOM 1414 C GLU A 85 8.139 -11.868 32.395 1.00 53.45 C ATOM 1415 O GLU A 85 7.676 -11.959 31.262 1.00 72.22 O ATOM 1416 CB GLU A 85 6.508 -10.315 33.521 1.00 63.44 C ATOM 1417 CG GLU A 85 6.271 -9.229 34.567 1.00 2.03 C ATOM 1418 CD GLU A 85 4.796 -9.000 34.870 1.00 62.40 C ATOM 1419 OE1 GLU A 85 4.165 -9.884 35.493 1.00 71.33 O ATOM 1420 OE2 GLU A 85 4.262 -7.928 34.507 1.00 64.53 O1- ATOM 0 H GLU A 85 8.431 -9.495 31.417 1.00 41.45 H new ATOM 0 HA GLU A 85 8.558 -10.637 34.115 1.00 72.04 H new ATOM 0 HB2 GLU A 85 5.980 -10.045 32.607 1.00 63.44 H new ATOM 0 HB3 GLU A 85 6.072 -11.249 33.877 1.00 63.44 H new ATOM 0 HG2 GLU A 85 6.786 -9.502 35.488 1.00 2.03 H new ATOM 0 HG3 GLU A 85 6.713 -8.295 34.219 1.00 2.03 H new ATOM 1427 N PRO A 86 8.767 -12.906 32.996 1.00 52.44 N ATOM 1428 CA PRO A 86 9.058 -14.185 32.307 1.00 12.10 C ATOM 1429 C PRO A 86 7.872 -14.763 31.507 1.00 72.45 C ATOM 1430 O PRO A 86 6.919 -15.303 32.076 1.00 21.44 O ATOM 1431 CB PRO A 86 9.441 -15.120 33.461 1.00 2.05 C ATOM 1432 CG PRO A 86 10.017 -14.215 34.497 1.00 53.35 C ATOM 1433 CD PRO A 86 9.248 -12.920 34.396 1.00 71.21 C ATOM 0 HA PRO A 86 9.832 -14.054 31.551 1.00 12.10 H new ATOM 0 HB2 PRO A 86 8.573 -15.658 33.842 1.00 2.05 H new ATOM 0 HB3 PRO A 86 10.165 -15.870 33.141 1.00 2.05 H new ATOM 0 HG2 PRO A 86 9.919 -14.650 35.492 1.00 53.35 H new ATOM 0 HG3 PRO A 86 11.081 -14.051 34.324 1.00 53.35 H new ATOM 0 HD2 PRO A 86 8.420 -12.890 35.104 1.00 71.21 H new ATOM 0 HD3 PRO A 86 9.882 -12.060 34.610 1.00 71.21 H new ATOM 1441 N ALA A 87 7.942 -14.643 30.178 1.00 35.01 N ATOM 1442 CA ALA A 87 6.902 -15.173 29.287 1.00 14.44 C ATOM 1443 C ALA A 87 7.511 -15.758 28.002 1.00 62.51 C ATOM 1444 O ALA A 87 7.548 -15.107 26.961 1.00 15.32 O ATOM 1445 CB ALA A 87 5.881 -14.087 28.953 1.00 44.03 C ATOM 0 H ALA A 87 8.711 -14.182 29.692 1.00 35.01 H new ATOM 0 HA ALA A 87 6.392 -15.982 29.811 1.00 14.44 H new ATOM 0 HB1 ALA A 87 5.117 -14.497 28.292 1.00 44.03 H new ATOM 0 HB2 ALA A 87 5.413 -13.732 29.872 1.00 44.03 H new ATOM 0 HB3 ALA A 87 6.383 -13.256 28.457 1.00 44.03 H new ATOM 1451 N HIS A 88 8.011 -16.986 28.102 1.00 34.20 N ATOM 1452 CA HIS A 88 8.647 -17.682 26.974 1.00 4.41 C ATOM 1453 C HIS A 88 8.334 -19.185 27.029 1.00 1.03 C ATOM 1454 O HIS A 88 9.227 -20.032 26.964 1.00 52.53 O ATOM 1455 CB HIS A 88 10.164 -17.434 27.000 1.00 11.25 C ATOM 1456 CG HIS A 88 10.799 -17.688 28.336 1.00 30.14 C ATOM 1457 ND1 HIS A 88 11.325 -18.907 28.707 1.00 30.51 N ATOM 1458 CD2 HIS A 88 10.988 -16.866 29.396 1.00 43.21 C ATOM 1459 CE1 HIS A 88 11.807 -18.824 29.930 1.00 2.42 C ATOM 1460 NE2 HIS A 88 11.618 -17.597 30.368 1.00 33.11 N ATOM 0 H HIS A 88 7.990 -17.531 28.964 1.00 34.20 H new ATOM 0 HA HIS A 88 8.247 -17.290 26.039 1.00 4.41 H new ATOM 0 HB2 HIS A 88 10.639 -18.073 26.255 1.00 11.25 H new ATOM 0 HB3 HIS A 88 10.359 -16.403 26.706 1.00 11.25 H new ATOM 0 HD2 HIS A 88 10.696 -15.828 29.462 1.00 43.21 H new ATOM 0 HE1 HIS A 88 12.277 -19.626 30.480 1.00 2.42 H new ATOM 0 HE2 HIS A 88 11.896 -17.247 31.285 1.00 33.11 H new ATOM 1469 N GLN A 89 7.047 -19.496 27.133 1.00 21.33 N ATOM 1470 CA GLN A 89 6.586 -20.868 27.366 1.00 0.43 C ATOM 1471 C GLN A 89 6.823 -21.801 26.160 1.00 13.43 C ATOM 1472 O GLN A 89 7.367 -22.893 26.320 1.00 5.22 O ATOM 1473 CB GLN A 89 5.101 -20.860 27.761 1.00 63.13 C ATOM 1474 CG GLN A 89 4.194 -20.148 26.763 1.00 75.30 C ATOM 1475 CD GLN A 89 2.751 -20.069 27.235 1.00 63.33 C ATOM 1476 OE1 GLN A 89 2.351 -19.116 27.899 1.00 22.44 O ATOM 1477 NE2 GLN A 89 1.961 -21.068 26.903 1.00 52.21 N ATOM 0 H GLN A 89 6.294 -18.812 27.059 1.00 21.33 H new ATOM 0 HA GLN A 89 7.183 -21.271 28.184 1.00 0.43 H new ATOM 0 HB2 GLN A 89 4.761 -21.889 27.874 1.00 63.13 H new ATOM 0 HB3 GLN A 89 4.998 -20.381 28.735 1.00 63.13 H new ATOM 0 HG2 GLN A 89 4.571 -19.140 26.590 1.00 75.30 H new ATOM 0 HG3 GLN A 89 4.231 -20.671 25.807 1.00 75.30 H new ATOM 0 HE21 GLN A 89 2.325 -21.844 26.351 1.00 52.21 H new ATOM 0 HE22 GLN A 89 0.985 -21.066 27.198 1.00 52.21 H new ATOM 1486 N HIS A 90 6.416 -21.385 24.956 1.00 23.54 N ATOM 1487 CA HIS A 90 6.519 -22.265 23.777 1.00 55.31 C ATOM 1488 C HIS A 90 7.071 -21.549 22.527 1.00 65.33 C ATOM 1489 O HIS A 90 7.456 -22.203 21.558 1.00 22.25 O ATOM 1490 CB HIS A 90 5.143 -22.872 23.469 1.00 4.33 C ATOM 1491 CG HIS A 90 5.167 -23.888 22.367 1.00 11.41 C ATOM 1492 ND1 HIS A 90 4.877 -23.586 21.055 1.00 40.22 N ATOM 1493 CD2 HIS A 90 5.447 -25.211 22.388 1.00 20.32 C ATOM 1494 CE1 HIS A 90 4.978 -24.675 20.322 1.00 31.03 C ATOM 1495 NE2 HIS A 90 5.323 -25.674 21.104 1.00 65.43 N ATOM 0 H HIS A 90 6.019 -20.464 24.769 1.00 23.54 H new ATOM 0 HA HIS A 90 7.235 -23.048 24.026 1.00 55.31 H new ATOM 0 HB2 HIS A 90 4.751 -23.338 24.373 1.00 4.33 H new ATOM 0 HB3 HIS A 90 4.455 -22.071 23.198 1.00 4.33 H new ATOM 0 HD2 HIS A 90 5.718 -25.794 23.256 1.00 20.32 H new ATOM 0 HE1 HIS A 90 4.806 -24.737 19.258 1.00 31.03 H new ATOM 0 HE2 HIS A 90 5.474 -26.637 20.804 1.00 65.43 H new ATOM 1504 N GLU A 91 7.121 -20.220 22.545 1.00 54.15 N ATOM 1505 CA GLU A 91 7.590 -19.447 21.382 1.00 65.30 C ATOM 1506 C GLU A 91 9.131 -19.392 21.295 1.00 40.22 C ATOM 1507 O GLU A 91 9.694 -18.555 20.586 1.00 74.21 O ATOM 1508 CB GLU A 91 6.970 -18.032 21.403 1.00 23.51 C ATOM 1509 CG GLU A 91 7.079 -17.288 22.737 1.00 52.13 C ATOM 1510 CD GLU A 91 8.483 -16.795 23.048 1.00 64.43 C ATOM 1511 OE1 GLU A 91 9.194 -17.452 23.835 1.00 50.31 O ATOM 1512 OE2 GLU A 91 8.885 -15.743 22.507 1.00 12.21 O1- ATOM 0 H GLU A 91 6.845 -19.651 23.345 1.00 54.15 H new ATOM 0 HA GLU A 91 7.255 -19.962 20.482 1.00 65.30 H new ATOM 0 HB2 GLU A 91 7.451 -17.431 20.631 1.00 23.51 H new ATOM 0 HB3 GLU A 91 5.916 -18.111 21.135 1.00 23.51 H new ATOM 0 HG2 GLU A 91 6.399 -16.436 22.725 1.00 52.13 H new ATOM 0 HG3 GLU A 91 6.749 -17.948 23.539 1.00 52.13 H new ATOM 1519 N ALA A 92 9.804 -20.307 21.995 1.00 54.11 N ATOM 1520 CA ALA A 92 11.269 -20.396 21.961 1.00 55.21 C ATOM 1521 C ALA A 92 11.767 -21.125 20.694 1.00 43.53 C ATOM 1522 O ALA A 92 12.206 -20.439 19.738 1.00 39.69 O ATOM 1523 CB ALA A 92 11.778 -21.091 23.223 1.00 71.42 C ATOM 1524 OXT ALA A 92 11.684 -22.375 20.641 1.00 39.69 O ATOM 0 H ALA A 92 9.358 -21.000 22.595 1.00 54.11 H new ATOM 0 HA ALA A 92 11.669 -19.383 21.928 1.00 55.21 H new ATOM 0 HB1 ALA A 92 12.866 -21.153 23.190 1.00 71.42 H new ATOM 0 HB2 ALA A 92 11.473 -20.521 24.101 1.00 71.42 H new ATOM 0 HB3 ALA A 92 11.359 -22.095 23.280 1.00 71.42 H new TER 1530 ALA A 92