USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 600 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 62 LYS NZ :NH3+ -155:sc= 1.2 (180deg=-0.88) USER MOD Set 1.2: A 66 SER OG : rot -88:sc= -0.0157 USER MOD Set 2.1: A 9 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 44 THR OG1 : rot -160:sc= -1.45 USER MOD Set 2.3: A 47 GLN :FLIP amide:sc= -0.161 F(o=-3,f=-1.6) USER MOD Set 3.1: A 22 LYS NZ :NH3+ 152:sc= 0.549 (180deg=0.408) USER MOD Set 3.2: A 25 HIS : no HD1:sc= 0 X(o=1.2,f=1.2) USER MOD Set 3.3: A 26 GLN : amide:sc= 0.621 X(o=1.2,f=0.69) USER MOD Set 4.1: A 6 HIS : no HE2:sc= 0.645 K(o=-0.08,f=-5.4!) USER MOD Set 4.2: A 54 ASN : amide:sc= -0.725! C(o=-0.08!,f=-1.3!) USER MOD Set 5.1: A 1 MET N :NH3+ -159:sc= 0.239 (180deg=-0.0677) USER MOD Set 5.2: A 63 GLN : amide:sc= -0.054 K(o=0.19,f=-2.4) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.0234 X(o=-0.023,f=-0.32) USER MOD Single : A 4 HIS : no HD1:sc= -0.0405 X(o=-0.041,f=0.0019) USER MOD Single : A 5 HIS : no HD1:sc=-0.00841 X(o=-0.0084,f=-0.0097) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HE2:sc= 0.589 K(o=0.59,f=-5.7!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -138:sc=-0.00274 (180deg=-0.462) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= -2.49! C(o=-2.5!,f=-5.7!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -159:sc= 0.604 (180deg=0.239) USER MOD Single : A 28 TYR OH : rot 180:sc= 0.417 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 39 LYS NZ :NH3+ -114:sc= -0.401 (180deg=-2.21!) USER MOD Single : A 40 ASN : amide:sc= -0.056 K(o=-0.056,f=-0.74) USER MOD Single : A 42 LYS NZ :NH3+ -143:sc= 0.186 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -131:sc= -0.455 (180deg=-2.48!) USER MOD Single : A 53 GLN : amide:sc= -0.398 K(o=-0.4,f=-4.9!) USER MOD Single : A 57 TYR OH : rot 30:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -164:sc= -0.0575 (180deg=-0.268) USER MOD Single : A 59 THR OG1 : rot 105:sc= 0.387 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 9.011 0.934 19.088 1.00 41.05 N ATOM 2 CA MET A 1 10.442 0.955 19.505 1.00 52.22 C ATOM 3 C MET A 1 11.207 -0.265 18.941 1.00 54.51 C ATOM 4 O MET A 1 12.425 -0.204 18.739 1.00 41.24 O ATOM 5 CB MET A 1 10.548 1.035 21.052 1.00 35.31 C ATOM 6 CG MET A 1 11.973 1.231 21.583 1.00 32.33 C ATOM 7 SD MET A 1 12.042 1.476 23.367 1.00 41.23 S ATOM 8 CE MET A 1 13.803 1.709 23.614 1.00 54.40 C ATOM 0 H1 MET A 1 8.614 1.893 19.160 1.00 41.05 H new ATOM 0 H2 MET A 1 8.941 0.603 18.104 1.00 41.05 H new ATOM 0 H3 MET A 1 8.478 0.291 19.708 1.00 41.05 H new ATOM 0 HA MET A 1 10.912 1.845 19.088 1.00 52.22 H new ATOM 0 HB2 MET A 1 9.926 1.858 21.404 1.00 35.31 H new ATOM 0 HB3 MET A 1 10.137 0.120 21.479 1.00 35.31 H new ATOM 0 HG2 MET A 1 12.574 0.361 21.319 1.00 32.33 H new ATOM 0 HG3 MET A 1 12.423 2.091 21.087 1.00 32.33 H new ATOM 0 HE1 MET A 1 14.003 1.873 24.673 1.00 54.40 H new ATOM 0 HE2 MET A 1 14.338 0.822 23.276 1.00 54.40 H new ATOM 0 HE3 MET A 1 14.139 2.575 23.043 1.00 54.40 H new ATOM 20 N GLY A 2 10.486 -1.380 18.698 1.00 1.32 N ATOM 21 CA GLY A 2 11.039 -2.514 17.942 1.00 2.13 C ATOM 22 C GLY A 2 11.114 -2.207 16.438 1.00 3.44 C ATOM 23 O GLY A 2 10.315 -2.716 15.646 1.00 45.31 O ATOM 0 H GLY A 2 9.526 -1.515 19.014 1.00 1.32 H new ATOM 0 HA2 GLY A 2 12.035 -2.750 18.316 1.00 2.13 H new ATOM 0 HA3 GLY A 2 10.420 -3.397 18.104 1.00 2.13 H new ATOM 27 N HIS A 3 12.067 -1.338 16.066 1.00 73.42 N ATOM 28 CA HIS A 3 12.185 -0.786 14.702 1.00 74.22 C ATOM 29 C HIS A 3 13.134 -1.622 13.813 1.00 15.31 C ATOM 30 O HIS A 3 14.191 -2.066 14.275 1.00 55.30 O ATOM 31 CB HIS A 3 12.660 0.688 14.776 1.00 65.03 C ATOM 32 CG HIS A 3 13.998 0.924 15.440 1.00 71.51 C ATOM 33 ND1 HIS A 3 15.205 0.698 14.812 1.00 73.42 N ATOM 34 CD2 HIS A 3 14.314 1.396 16.672 1.00 21.14 C ATOM 35 CE1 HIS A 3 16.192 1.015 15.619 1.00 44.12 C ATOM 36 NE2 HIS A 3 15.679 1.443 16.752 1.00 62.35 N ATOM 0 H HIS A 3 12.783 -0.995 16.706 1.00 73.42 H new ATOM 0 HA HIS A 3 11.200 -0.828 14.237 1.00 74.22 H new ATOM 0 HB2 HIS A 3 12.706 1.085 13.762 1.00 65.03 H new ATOM 0 HB3 HIS A 3 11.905 1.265 15.310 1.00 65.03 H new ATOM 0 HD2 HIS A 3 13.617 1.682 17.446 1.00 21.14 H new ATOM 0 HE1 HIS A 3 17.245 0.937 15.391 1.00 44.12 H new ATOM 0 HE2 HIS A 3 16.213 1.759 17.561 1.00 62.35 H new ATOM 45 N HIS A 4 12.753 -1.811 12.534 1.00 52.24 N ATOM 46 CA HIS A 4 13.583 -2.542 11.548 1.00 53.01 C ATOM 47 C HIS A 4 13.073 -2.252 10.111 1.00 5.11 C ATOM 48 O HIS A 4 11.871 -2.312 9.856 1.00 62.54 O ATOM 49 CB HIS A 4 13.553 -4.078 11.839 1.00 52.30 C ATOM 50 CG HIS A 4 14.711 -4.859 11.250 1.00 51.12 C ATOM 51 ND1 HIS A 4 15.742 -5.361 12.018 1.00 21.34 N ATOM 52 CD2 HIS A 4 14.996 -5.233 9.976 1.00 71.01 C ATOM 53 CE1 HIS A 4 16.595 -6.000 11.250 1.00 40.21 C ATOM 54 NE2 HIS A 4 16.170 -5.939 10.010 1.00 34.50 N ATOM 0 H HIS A 4 11.871 -1.466 12.155 1.00 52.24 H new ATOM 0 HA HIS A 4 14.614 -2.199 11.632 1.00 53.01 H new ATOM 0 HB2 HIS A 4 13.543 -4.229 12.918 1.00 52.30 H new ATOM 0 HB3 HIS A 4 12.621 -4.489 11.451 1.00 52.30 H new ATOM 0 HD2 HIS A 4 14.406 -5.014 9.098 1.00 71.01 H new ATOM 0 HE1 HIS A 4 17.496 -6.493 11.584 1.00 40.21 H new ATOM 0 HE2 HIS A 4 16.638 -6.350 9.202 1.00 34.50 H new ATOM 63 N HIS A 5 13.998 -1.908 9.194 1.00 2.20 N ATOM 64 CA HIS A 5 13.706 -1.753 7.746 1.00 14.44 C ATOM 65 C HIS A 5 13.612 -3.149 7.076 1.00 5.03 C ATOM 66 O HIS A 5 14.589 -3.904 7.058 1.00 52.24 O ATOM 67 CB HIS A 5 14.823 -0.885 7.097 1.00 32.11 C ATOM 68 CG HIS A 5 14.703 -0.629 5.606 1.00 43.12 C ATOM 69 ND1 HIS A 5 14.348 0.593 5.079 1.00 14.34 N ATOM 70 CD2 HIS A 5 14.972 -1.419 4.531 1.00 55.11 C ATOM 71 CE1 HIS A 5 14.411 0.542 3.768 1.00 41.23 C ATOM 72 NE2 HIS A 5 14.785 -0.666 3.409 1.00 54.22 N ATOM 0 H HIS A 5 14.973 -1.728 9.432 1.00 2.20 H new ATOM 0 HA HIS A 5 12.748 -1.252 7.605 1.00 14.44 H new ATOM 0 HB2 HIS A 5 14.846 0.078 7.607 1.00 32.11 H new ATOM 0 HB3 HIS A 5 15.782 -1.368 7.284 1.00 32.11 H new ATOM 0 HD2 HIS A 5 15.278 -2.454 4.561 1.00 55.11 H new ATOM 0 HE1 HIS A 5 14.192 1.358 3.096 1.00 41.23 H new ATOM 0 HE2 HIS A 5 14.914 -0.987 2.450 1.00 54.22 H new ATOM 81 N HIS A 6 12.432 -3.478 6.536 1.00 20.23 N ATOM 82 CA HIS A 6 12.171 -4.771 5.871 1.00 60.04 C ATOM 83 C HIS A 6 12.323 -4.645 4.339 1.00 73.43 C ATOM 84 O HIS A 6 12.107 -3.570 3.757 1.00 13.24 O ATOM 85 CB HIS A 6 10.752 -5.283 6.210 1.00 5.05 C ATOM 86 CG HIS A 6 10.498 -5.572 7.673 1.00 54.04 C ATOM 87 ND1 HIS A 6 10.535 -4.606 8.658 1.00 60.41 N ATOM 88 CD2 HIS A 6 10.160 -6.721 8.310 1.00 23.31 C ATOM 89 CE1 HIS A 6 10.232 -5.146 9.818 1.00 11.20 C ATOM 90 NE2 HIS A 6 9.999 -6.424 9.639 1.00 1.43 N ATOM 0 H HIS A 6 11.624 -2.855 6.546 1.00 20.23 H new ATOM 0 HA HIS A 6 12.906 -5.487 6.240 1.00 60.04 H new ATOM 0 HB2 HIS A 6 10.027 -4.543 5.872 1.00 5.05 H new ATOM 0 HB3 HIS A 6 10.567 -6.193 5.640 1.00 5.05 H new ATOM 0 HD1 HIS A 6 10.763 -3.623 8.509 1.00 60.41 H new ATOM 0 HD2 HIS A 6 10.040 -7.692 7.854 1.00 23.31 H new ATOM 0 HE1 HIS A 6 10.183 -4.623 10.762 1.00 11.20 H new ATOM 99 N HIS A 7 12.671 -5.770 3.713 1.00 71.41 N ATOM 100 CA HIS A 7 12.859 -5.877 2.250 1.00 15.11 C ATOM 101 C HIS A 7 11.507 -6.120 1.530 1.00 32.34 C ATOM 102 O HIS A 7 10.546 -6.606 2.137 1.00 60.33 O ATOM 103 CB HIS A 7 13.850 -7.023 1.935 1.00 31.14 C ATOM 104 CG HIS A 7 15.196 -6.869 2.601 1.00 13.31 C ATOM 105 ND1 HIS A 7 16.257 -6.210 2.018 1.00 54.21 N ATOM 106 CD2 HIS A 7 15.646 -7.285 3.813 1.00 45.15 C ATOM 107 CE1 HIS A 7 17.289 -6.228 2.834 1.00 70.34 C ATOM 108 NE2 HIS A 7 16.947 -6.874 3.929 1.00 51.21 N ATOM 0 H HIS A 7 12.834 -6.648 4.206 1.00 71.41 H new ATOM 0 HA HIS A 7 13.268 -4.936 1.883 1.00 15.11 H new ATOM 0 HB2 HIS A 7 13.407 -7.969 2.247 1.00 31.14 H new ATOM 0 HB3 HIS A 7 13.994 -7.079 0.856 1.00 31.14 H new ATOM 0 HD2 HIS A 7 15.082 -7.838 4.549 1.00 45.15 H new ATOM 0 HE1 HIS A 7 18.255 -5.787 2.638 1.00 70.34 H new ATOM 0 HE2 HIS A 7 17.552 -7.041 4.733 1.00 51.21 H new ATOM 117 N HIS A 8 11.461 -5.783 0.230 1.00 74.32 N ATOM 118 CA HIS A 8 10.259 -5.954 -0.633 1.00 2.55 C ATOM 119 C HIS A 8 10.647 -5.865 -2.128 1.00 61.22 C ATOM 120 O HIS A 8 11.766 -5.450 -2.455 1.00 15.03 O ATOM 121 CB HIS A 8 9.172 -4.888 -0.296 1.00 5.33 C ATOM 122 CG HIS A 8 9.630 -3.459 -0.470 1.00 23.35 C ATOM 123 ND1 HIS A 8 9.366 -2.710 -1.596 1.00 35.32 N ATOM 124 CD2 HIS A 8 10.345 -2.649 0.345 1.00 13.05 C ATOM 125 CE1 HIS A 8 9.892 -1.514 -1.464 1.00 73.41 C ATOM 126 NE2 HIS A 8 10.489 -1.453 -0.298 1.00 34.31 N ATOM 0 H HIS A 8 12.258 -5.381 -0.264 1.00 74.32 H new ATOM 0 HA HIS A 8 9.843 -6.942 -0.436 1.00 2.55 H new ATOM 0 HB2 HIS A 8 8.303 -5.059 -0.931 1.00 5.33 H new ATOM 0 HB3 HIS A 8 8.847 -5.030 0.735 1.00 5.33 H new ATOM 0 HD1 HIS A 8 8.842 -3.035 -2.408 1.00 35.32 H new ATOM 0 HD2 HIS A 8 10.730 -2.902 1.322 1.00 13.05 H new ATOM 0 HE1 HIS A 8 9.842 -0.717 -2.191 1.00 73.41 H new ATOM 135 N SER A 9 9.716 -6.241 -3.033 1.00 22.31 N ATOM 136 CA SER A 9 9.918 -6.092 -4.502 1.00 32.10 C ATOM 137 C SER A 9 10.084 -4.602 -4.899 1.00 63.53 C ATOM 138 O SER A 9 9.473 -3.727 -4.281 1.00 42.50 O ATOM 139 CB SER A 9 8.733 -6.705 -5.278 1.00 34.33 C ATOM 140 OG SER A 9 8.555 -8.079 -4.957 1.00 1.01 O ATOM 0 H SER A 9 8.817 -6.650 -2.778 1.00 22.31 H new ATOM 0 HA SER A 9 10.833 -6.625 -4.763 1.00 32.10 H new ATOM 0 HB2 SER A 9 7.821 -6.155 -5.046 1.00 34.33 H new ATOM 0 HB3 SER A 9 8.905 -6.600 -6.349 1.00 34.33 H new ATOM 0 HG SER A 9 7.796 -8.438 -5.463 1.00 1.01 H new ATOM 146 N HIS A 10 10.925 -4.329 -5.913 1.00 54.15 N ATOM 147 CA HIS A 10 11.221 -2.952 -6.366 1.00 64.30 C ATOM 148 C HIS A 10 9.975 -2.302 -7.037 1.00 2.33 C ATOM 149 O HIS A 10 9.673 -2.575 -8.205 1.00 62.05 O ATOM 150 CB HIS A 10 12.447 -2.958 -7.324 1.00 0.23 C ATOM 151 CG HIS A 10 12.888 -1.597 -7.821 1.00 74.20 C ATOM 152 ND1 HIS A 10 13.851 -0.836 -7.192 1.00 21.52 N ATOM 153 CD2 HIS A 10 12.502 -0.869 -8.900 1.00 3.44 C ATOM 154 CE1 HIS A 10 14.031 0.287 -7.856 1.00 54.14 C ATOM 155 NE2 HIS A 10 13.224 0.292 -8.894 1.00 71.45 N ATOM 0 H HIS A 10 11.417 -5.050 -6.441 1.00 54.15 H new ATOM 0 HA HIS A 10 11.470 -2.344 -5.496 1.00 64.30 H new ATOM 0 HB2 HIS A 10 13.286 -3.428 -6.811 1.00 0.23 H new ATOM 0 HB3 HIS A 10 12.210 -3.582 -8.186 1.00 0.23 H new ATOM 0 HD2 HIS A 10 11.760 -1.155 -9.630 1.00 3.44 H new ATOM 0 HE1 HIS A 10 14.725 1.072 -7.592 1.00 54.14 H new ATOM 0 HE2 HIS A 10 13.149 1.040 -9.583 1.00 71.45 H new ATOM 164 N MET A 11 9.237 -1.477 -6.263 1.00 34.22 N ATOM 165 CA MET A 11 8.137 -0.639 -6.799 1.00 23.44 C ATOM 166 C MET A 11 8.653 0.460 -7.784 1.00 45.31 C ATOM 167 O MET A 11 9.780 0.952 -7.657 1.00 71.40 O ATOM 168 CB MET A 11 7.318 0.034 -5.655 1.00 1.41 C ATOM 169 CG MET A 11 6.429 -0.900 -4.812 1.00 2.01 C ATOM 170 SD MET A 11 7.348 -1.943 -3.666 1.00 54.22 S ATOM 171 CE MET A 11 6.026 -2.715 -2.724 1.00 72.53 C ATOM 0 H MET A 11 9.383 -1.372 -5.259 1.00 34.22 H new ATOM 0 HA MET A 11 7.487 -1.317 -7.352 1.00 23.44 H new ATOM 0 HB2 MET A 11 8.015 0.538 -4.986 1.00 1.41 H new ATOM 0 HB3 MET A 11 6.685 0.804 -6.095 1.00 1.41 H new ATOM 0 HG2 MET A 11 5.717 -0.297 -4.248 1.00 2.01 H new ATOM 0 HG3 MET A 11 5.849 -1.535 -5.481 1.00 2.01 H new ATOM 0 HE1 MET A 11 6.296 -2.737 -1.668 1.00 72.53 H new ATOM 0 HE2 MET A 11 5.107 -2.143 -2.851 1.00 72.53 H new ATOM 0 HE3 MET A 11 5.872 -3.734 -3.080 1.00 72.53 H new ATOM 181 N SER A 12 7.789 0.839 -8.747 1.00 54.44 N ATOM 182 CA SER A 12 8.063 1.922 -9.731 1.00 25.03 C ATOM 183 C SER A 12 7.765 3.313 -9.122 1.00 0.41 C ATOM 184 O SER A 12 7.119 3.393 -8.077 1.00 0.12 O ATOM 185 CB SER A 12 7.192 1.705 -10.994 1.00 60.13 C ATOM 186 OG SER A 12 7.430 0.436 -11.584 1.00 31.25 O ATOM 0 H SER A 12 6.875 0.404 -8.870 1.00 54.44 H new ATOM 0 HA SER A 12 9.119 1.887 -10.000 1.00 25.03 H new ATOM 0 HB2 SER A 12 6.138 1.791 -10.729 1.00 60.13 H new ATOM 0 HB3 SER A 12 7.403 2.490 -11.721 1.00 60.13 H new ATOM 0 HG SER A 12 6.863 0.332 -12.377 1.00 31.25 H new ATOM 192 N HIS A 13 8.207 4.398 -9.798 1.00 42.22 N ATOM 193 CA HIS A 13 7.986 5.805 -9.342 1.00 64.11 C ATOM 194 C HIS A 13 6.478 6.095 -9.105 1.00 12.11 C ATOM 195 O HIS A 13 6.075 6.461 -7.997 1.00 72.43 O ATOM 196 CB HIS A 13 8.579 6.795 -10.390 1.00 21.43 C ATOM 197 CG HIS A 13 8.450 8.271 -10.057 1.00 14.21 C ATOM 198 ND1 HIS A 13 9.420 8.980 -9.381 1.00 42.10 N ATOM 199 CD2 HIS A 13 7.467 9.174 -10.334 1.00 32.12 C ATOM 200 CE1 HIS A 13 9.047 10.236 -9.255 1.00 63.12 C ATOM 201 NE2 HIS A 13 7.868 10.382 -9.823 1.00 34.54 N ATOM 0 H HIS A 13 8.726 4.332 -10.673 1.00 42.22 H new ATOM 0 HA HIS A 13 8.497 5.943 -8.389 1.00 64.11 H new ATOM 0 HB2 HIS A 13 9.636 6.563 -10.522 1.00 21.43 H new ATOM 0 HB3 HIS A 13 8.091 6.615 -11.348 1.00 21.43 H new ATOM 0 HD2 HIS A 13 6.544 8.975 -10.858 1.00 32.12 H new ATOM 0 HE1 HIS A 13 9.613 11.016 -8.768 1.00 63.12 H new ATOM 0 HE2 HIS A 13 7.339 11.252 -9.875 1.00 34.54 H new ATOM 210 N THR A 14 5.668 5.885 -10.159 1.00 43.02 N ATOM 211 CA THR A 14 4.204 6.111 -10.139 1.00 5.13 C ATOM 212 C THR A 14 3.484 5.157 -9.143 1.00 54.32 C ATOM 213 O THR A 14 2.504 5.536 -8.508 1.00 64.22 O ATOM 214 CB THR A 14 3.597 5.926 -11.575 1.00 14.11 C ATOM 215 OG1 THR A 14 4.352 6.701 -12.530 1.00 22.25 O ATOM 216 CG2 THR A 14 2.112 6.339 -11.653 1.00 24.34 C ATOM 0 H THR A 14 6.011 5.550 -11.059 1.00 43.02 H new ATOM 0 HA THR A 14 4.043 7.136 -9.805 1.00 5.13 H new ATOM 0 HB THR A 14 3.657 4.863 -11.808 1.00 14.11 H new ATOM 0 HG1 THR A 14 3.970 6.580 -13.424 1.00 22.25 H new ATOM 0 HG21 THR A 14 1.746 6.190 -12.669 1.00 24.34 H new ATOM 0 HG22 THR A 14 1.528 5.729 -10.963 1.00 24.34 H new ATOM 0 HG23 THR A 14 2.012 7.390 -11.382 1.00 24.34 H new ATOM 224 N GLN A 15 4.013 3.928 -9.010 1.00 10.44 N ATOM 225 CA GLN A 15 3.469 2.887 -8.111 1.00 34.23 C ATOM 226 C GLN A 15 3.587 3.289 -6.622 1.00 35.00 C ATOM 227 O GLN A 15 2.617 3.171 -5.863 1.00 30.00 O ATOM 228 CB GLN A 15 4.209 1.560 -8.389 1.00 52.10 C ATOM 229 CG GLN A 15 3.749 0.355 -7.551 1.00 61.50 C ATOM 230 CD GLN A 15 4.342 -0.967 -8.046 1.00 52.43 C ATOM 231 OE1 GLN A 15 5.441 -1.017 -8.581 1.00 70.34 O ATOM 232 NE2 GLN A 15 3.616 -2.038 -7.904 1.00 21.21 N ATOM 0 H GLN A 15 4.838 3.624 -9.527 1.00 10.44 H new ATOM 0 HA GLN A 15 2.405 2.766 -8.313 1.00 34.23 H new ATOM 0 HB2 GLN A 15 4.091 1.313 -9.444 1.00 52.10 H new ATOM 0 HB3 GLN A 15 5.274 1.715 -8.216 1.00 52.10 H new ATOM 0 HG2 GLN A 15 4.035 0.510 -6.511 1.00 61.50 H new ATOM 0 HG3 GLN A 15 2.661 0.293 -7.577 1.00 61.50 H new ATOM 0 HE21 GLN A 15 2.702 -1.979 -7.456 1.00 21.21 H new ATOM 0 HE22 GLN A 15 3.961 -2.937 -8.241 1.00 21.21 H new ATOM 241 N VAL A 16 4.786 3.770 -6.228 1.00 2.31 N ATOM 242 CA VAL A 16 5.039 4.317 -4.873 1.00 55.25 C ATOM 243 C VAL A 16 4.106 5.517 -4.570 1.00 4.42 C ATOM 244 O VAL A 16 3.628 5.647 -3.448 1.00 44.51 O ATOM 245 CB VAL A 16 6.550 4.746 -4.688 1.00 71.34 C ATOM 246 CG1 VAL A 16 6.814 5.383 -3.301 1.00 71.51 C ATOM 247 CG2 VAL A 16 7.503 3.551 -4.923 1.00 34.13 C ATOM 0 H VAL A 16 5.604 3.791 -6.836 1.00 2.31 H new ATOM 0 HA VAL A 16 4.823 3.518 -4.163 1.00 55.25 H new ATOM 0 HB VAL A 16 6.753 5.507 -5.442 1.00 71.34 H new ATOM 0 HG11 VAL A 16 7.865 5.661 -3.222 1.00 71.51 H new ATOM 0 HG12 VAL A 16 6.194 6.272 -3.185 1.00 71.51 H new ATOM 0 HG13 VAL A 16 6.569 4.665 -2.518 1.00 71.51 H new ATOM 0 HG21 VAL A 16 8.535 3.876 -4.789 1.00 34.13 H new ATOM 0 HG22 VAL A 16 7.277 2.759 -4.209 1.00 34.13 H new ATOM 0 HG23 VAL A 16 7.370 3.174 -5.937 1.00 34.13 H new ATOM 257 N ILE A 17 3.834 6.363 -5.594 1.00 20.33 N ATOM 258 CA ILE A 17 2.876 7.496 -5.489 1.00 63.03 C ATOM 259 C ILE A 17 1.469 7.011 -5.059 1.00 51.30 C ATOM 260 O ILE A 17 0.907 7.534 -4.108 1.00 74.21 O ATOM 261 CB ILE A 17 2.769 8.284 -6.855 1.00 43.43 C ATOM 262 CG1 ILE A 17 4.142 8.928 -7.228 1.00 44.44 C ATOM 263 CG2 ILE A 17 1.638 9.346 -6.835 1.00 63.21 C ATOM 264 CD1 ILE A 17 4.183 9.630 -8.576 1.00 43.21 C ATOM 0 H ILE A 17 4.269 6.281 -6.513 1.00 20.33 H new ATOM 0 HA ILE A 17 3.263 8.168 -4.723 1.00 63.03 H new ATOM 0 HB ILE A 17 2.506 7.561 -7.627 1.00 43.43 H new ATOM 0 HG12 ILE A 17 4.410 9.647 -6.454 1.00 44.44 H new ATOM 0 HG13 ILE A 17 4.905 8.150 -7.218 1.00 44.44 H new ATOM 0 HG21 ILE A 17 1.605 9.860 -7.795 1.00 63.21 H new ATOM 0 HG22 ILE A 17 0.682 8.856 -6.653 1.00 63.21 H new ATOM 0 HG23 ILE A 17 1.832 10.069 -6.043 1.00 63.21 H new ATOM 0 HD11 ILE A 17 5.178 10.043 -8.741 1.00 43.21 H new ATOM 0 HD12 ILE A 17 3.951 8.915 -9.366 1.00 43.21 H new ATOM 0 HD13 ILE A 17 3.449 10.436 -8.589 1.00 43.21 H new ATOM 276 N GLU A 18 0.944 5.987 -5.759 1.00 72.23 N ATOM 277 CA GLU A 18 -0.401 5.409 -5.489 1.00 34.24 C ATOM 278 C GLU A 18 -0.497 4.812 -4.065 1.00 1.33 C ATOM 279 O GLU A 18 -1.509 4.969 -3.368 1.00 53.33 O ATOM 280 CB GLU A 18 -0.728 4.320 -6.540 1.00 53.40 C ATOM 281 CG GLU A 18 -0.572 4.768 -8.006 1.00 33.12 C ATOM 282 CD GLU A 18 -1.519 5.910 -8.422 1.00 21.53 C ATOM 283 OE1 GLU A 18 -2.643 5.617 -8.890 1.00 34.51 O ATOM 284 OE2 GLU A 18 -1.148 7.096 -8.288 1.00 23.33 O ATOM 0 H GLU A 18 1.435 5.532 -6.529 1.00 72.23 H new ATOM 0 HA GLU A 18 -1.128 6.218 -5.559 1.00 34.24 H new ATOM 0 HB2 GLU A 18 -0.079 3.461 -6.366 1.00 53.40 H new ATOM 0 HB3 GLU A 18 -1.753 3.982 -6.385 1.00 53.40 H new ATOM 0 HG2 GLU A 18 0.457 5.087 -8.169 1.00 33.12 H new ATOM 0 HG3 GLU A 18 -0.747 3.911 -8.657 1.00 33.12 H new ATOM 291 N LEU A 19 0.581 4.121 -3.665 1.00 65.42 N ATOM 292 CA LEU A 19 0.751 3.588 -2.304 1.00 1.12 C ATOM 293 C LEU A 19 0.781 4.732 -1.246 1.00 73.23 C ATOM 294 O LEU A 19 0.188 4.598 -0.184 1.00 5.15 O ATOM 295 CB LEU A 19 2.050 2.742 -2.249 1.00 33.31 C ATOM 296 CG LEU A 19 2.050 1.389 -3.033 1.00 63.51 C ATOM 297 CD1 LEU A 19 3.479 0.827 -3.191 1.00 54.23 C ATOM 298 CD2 LEU A 19 1.123 0.351 -2.356 1.00 21.13 C ATOM 0 H LEU A 19 1.366 3.914 -4.282 1.00 65.42 H new ATOM 0 HA LEU A 19 -0.102 2.954 -2.062 1.00 1.12 H new ATOM 0 HB2 LEU A 19 2.869 3.353 -2.629 1.00 33.31 H new ATOM 0 HB3 LEU A 19 2.271 2.528 -1.203 1.00 33.31 H new ATOM 0 HG LEU A 19 1.660 1.591 -4.031 1.00 63.51 H new ATOM 0 HD11 LEU A 19 3.441 -0.114 -3.740 1.00 54.23 H new ATOM 0 HD12 LEU A 19 4.093 1.542 -3.738 1.00 54.23 H new ATOM 0 HD13 LEU A 19 3.913 0.655 -2.206 1.00 54.23 H new ATOM 0 HD21 LEU A 19 1.143 -0.580 -2.923 1.00 21.13 H new ATOM 0 HD22 LEU A 19 1.468 0.164 -1.339 1.00 21.13 H new ATOM 0 HD23 LEU A 19 0.104 0.737 -2.328 1.00 21.13 H new ATOM 310 N GLU A 20 1.468 5.862 -1.567 1.00 15.21 N ATOM 311 CA GLU A 20 1.592 7.040 -0.657 1.00 73.55 C ATOM 312 C GLU A 20 0.287 7.863 -0.570 1.00 33.11 C ATOM 313 O GLU A 20 0.055 8.534 0.426 1.00 45.12 O ATOM 314 CB GLU A 20 2.765 7.970 -1.094 1.00 14.14 C ATOM 315 CG GLU A 20 4.174 7.403 -0.844 1.00 1.42 C ATOM 316 CD GLU A 20 5.312 8.358 -1.232 1.00 53.35 C ATOM 317 OE1 GLU A 20 5.511 8.599 -2.445 1.00 72.10 O ATOM 318 OE2 GLU A 20 6.019 8.868 -0.329 1.00 54.12 O ATOM 0 H GLU A 20 1.950 5.984 -2.458 1.00 15.21 H new ATOM 0 HA GLU A 20 1.800 6.635 0.333 1.00 73.55 H new ATOM 0 HB2 GLU A 20 2.660 8.186 -2.157 1.00 14.14 H new ATOM 0 HB3 GLU A 20 2.673 8.919 -0.565 1.00 14.14 H new ATOM 0 HG2 GLU A 20 4.270 7.150 0.212 1.00 1.42 H new ATOM 0 HG3 GLU A 20 4.285 6.475 -1.405 1.00 1.42 H new ATOM 325 N ARG A 21 -0.514 7.858 -1.648 1.00 65.43 N ATOM 326 CA ARG A 21 -1.867 8.467 -1.666 1.00 44.24 C ATOM 327 C ARG A 21 -2.794 7.762 -0.654 1.00 32.43 C ATOM 328 O ARG A 21 -3.478 8.409 0.153 1.00 71.32 O ATOM 329 CB ARG A 21 -2.469 8.365 -3.093 1.00 10.11 C ATOM 330 CG ARG A 21 -1.759 9.229 -4.157 1.00 14.12 C ATOM 331 CD ARG A 21 -2.248 8.920 -5.583 1.00 42.11 C ATOM 332 NE ARG A 21 -3.709 9.013 -5.710 1.00 71.30 N ATOM 333 CZ ARG A 21 -4.404 8.731 -6.791 1.00 42.14 C ATOM 334 NH1 ARG A 21 -3.829 8.335 -7.892 1.00 54.14 N ATOM 335 NH2 ARG A 21 -5.690 8.839 -6.752 1.00 3.12 N ATOM 0 H ARG A 21 -0.247 7.433 -2.536 1.00 65.43 H new ATOM 0 HA ARG A 21 -1.781 9.516 -1.383 1.00 44.24 H new ATOM 0 HB2 ARG A 21 -2.438 7.323 -3.412 1.00 10.11 H new ATOM 0 HB3 ARG A 21 -3.519 8.655 -3.051 1.00 10.11 H new ATOM 0 HG2 ARG A 21 -1.929 10.283 -3.938 1.00 14.12 H new ATOM 0 HG3 ARG A 21 -0.684 9.061 -4.100 1.00 14.12 H new ATOM 0 HD2 ARG A 21 -1.781 9.614 -6.282 1.00 42.11 H new ATOM 0 HD3 ARG A 21 -1.925 7.918 -5.865 1.00 42.11 H new ATOM 0 HE ARG A 21 -4.229 9.323 -4.889 1.00 71.30 H new ATOM 0 HH11 ARG A 21 -2.814 8.237 -7.931 1.00 54.14 H new ATOM 0 HH12 ARG A 21 -4.394 8.123 -8.715 1.00 54.14 H new ATOM 0 HH21 ARG A 21 -6.151 9.139 -5.893 1.00 3.12 H new ATOM 0 HH22 ARG A 21 -6.245 8.625 -7.580 1.00 3.12 H new ATOM 349 N LYS A 22 -2.778 6.420 -0.715 1.00 43.23 N ATOM 350 CA LYS A 22 -3.568 5.548 0.174 1.00 52.32 C ATOM 351 C LYS A 22 -3.027 5.593 1.628 1.00 53.13 C ATOM 352 O LYS A 22 -3.799 5.584 2.586 1.00 34.32 O ATOM 353 CB LYS A 22 -3.552 4.103 -0.400 1.00 53.41 C ATOM 354 CG LYS A 22 -4.504 3.090 0.280 1.00 13.54 C ATOM 355 CD LYS A 22 -5.999 3.505 0.230 1.00 22.34 C ATOM 356 CE LYS A 22 -6.943 2.394 0.733 1.00 22.12 C ATOM 357 NZ LYS A 22 -8.362 2.851 0.830 1.00 13.31 N ATOM 0 H LYS A 22 -2.212 5.904 -1.388 1.00 43.23 H new ATOM 0 HA LYS A 22 -4.598 5.904 0.214 1.00 52.32 H new ATOM 0 HB2 LYS A 22 -3.803 4.152 -1.460 1.00 53.41 H new ATOM 0 HB3 LYS A 22 -2.535 3.718 -0.331 1.00 53.41 H new ATOM 0 HG2 LYS A 22 -4.390 2.119 -0.201 1.00 13.54 H new ATOM 0 HG3 LYS A 22 -4.205 2.967 1.321 1.00 13.54 H new ATOM 0 HD2 LYS A 22 -6.144 4.400 0.835 1.00 22.34 H new ATOM 0 HD3 LYS A 22 -6.265 3.766 -0.794 1.00 22.34 H new ATOM 0 HE2 LYS A 22 -6.885 1.539 0.059 1.00 22.12 H new ATOM 0 HE3 LYS A 22 -6.607 2.051 1.712 1.00 22.12 H new ATOM 0 HZ1 LYS A 22 -8.998 2.038 0.701 1.00 13.31 H new ATOM 0 HZ2 LYS A 22 -8.527 3.275 1.765 1.00 13.31 H new ATOM 0 HZ3 LYS A 22 -8.550 3.559 0.091 1.00 13.31 H new ATOM 371 N PHE A 23 -1.689 5.667 1.757 1.00 45.05 N ATOM 372 CA PHE A 23 -0.985 5.751 3.058 1.00 11.20 C ATOM 373 C PHE A 23 -1.187 7.124 3.755 1.00 33.14 C ATOM 374 O PHE A 23 -1.273 7.203 4.990 1.00 25.05 O ATOM 375 CB PHE A 23 0.519 5.456 2.853 1.00 43.50 C ATOM 376 CG PHE A 23 1.326 5.426 4.143 1.00 20.32 C ATOM 377 CD1 PHE A 23 1.139 4.402 5.071 1.00 63.54 C ATOM 378 CD2 PHE A 23 2.237 6.432 4.450 1.00 70.50 C ATOM 379 CE1 PHE A 23 1.843 4.379 6.253 1.00 51.15 C ATOM 380 CE2 PHE A 23 2.934 6.413 5.632 1.00 21.11 C ATOM 381 CZ PHE A 23 2.735 5.387 6.537 1.00 25.15 C ATOM 0 H PHE A 23 -1.057 5.670 0.956 1.00 45.05 H new ATOM 0 HA PHE A 23 -1.418 5.001 3.720 1.00 11.20 H new ATOM 0 HB2 PHE A 23 0.625 4.496 2.348 1.00 43.50 H new ATOM 0 HB3 PHE A 23 0.940 6.212 2.191 1.00 43.50 H new ATOM 0 HD1 PHE A 23 0.431 3.615 4.859 1.00 63.54 H new ATOM 0 HD2 PHE A 23 2.398 7.238 3.749 1.00 70.50 H new ATOM 0 HE1 PHE A 23 1.696 3.572 6.956 1.00 51.15 H new ATOM 0 HE2 PHE A 23 3.639 7.200 5.855 1.00 21.11 H new ATOM 0 HZ PHE A 23 3.281 5.377 7.469 1.00 25.15 H new ATOM 391 N SER A 24 -1.226 8.203 2.954 1.00 21.03 N ATOM 392 CA SER A 24 -1.513 9.576 3.441 1.00 10.41 C ATOM 393 C SER A 24 -2.929 9.674 4.022 1.00 40.13 C ATOM 394 O SER A 24 -3.157 10.344 5.043 1.00 51.34 O ATOM 395 CB SER A 24 -1.356 10.606 2.298 1.00 51.31 C ATOM 396 OG SER A 24 -1.634 11.930 2.735 1.00 43.14 O ATOM 0 H SER A 24 -1.060 8.154 1.949 1.00 21.03 H new ATOM 0 HA SER A 24 -0.794 9.799 4.229 1.00 10.41 H new ATOM 0 HB2 SER A 24 -0.341 10.559 1.904 1.00 51.31 H new ATOM 0 HB3 SER A 24 -2.027 10.345 1.480 1.00 51.31 H new ATOM 0 HG SER A 24 -1.523 12.552 1.986 1.00 43.14 H new ATOM 402 N HIS A 25 -3.871 8.977 3.366 1.00 42.22 N ATOM 403 CA HIS A 25 -5.282 8.944 3.768 1.00 73.21 C ATOM 404 C HIS A 25 -5.490 8.019 4.996 1.00 44.24 C ATOM 405 O HIS A 25 -6.311 8.314 5.873 1.00 4.12 O ATOM 406 CB HIS A 25 -6.125 8.465 2.560 1.00 22.10 C ATOM 407 CG HIS A 25 -7.616 8.524 2.768 1.00 63.51 C ATOM 408 ND1 HIS A 25 -8.345 9.689 2.656 1.00 44.31 N ATOM 409 CD2 HIS A 25 -8.514 7.561 3.088 1.00 54.23 C ATOM 410 CE1 HIS A 25 -9.611 9.444 2.901 1.00 63.20 C ATOM 411 NE2 HIS A 25 -9.740 8.163 3.163 1.00 2.31 N ATOM 0 H HIS A 25 -3.671 8.418 2.537 1.00 42.22 H new ATOM 0 HA HIS A 25 -5.602 9.943 4.065 1.00 73.21 H new ATOM 0 HB2 HIS A 25 -5.869 9.073 1.692 1.00 22.10 H new ATOM 0 HB3 HIS A 25 -5.845 7.438 2.324 1.00 22.10 H new ATOM 0 HD2 HIS A 25 -8.302 6.515 3.253 1.00 54.23 H new ATOM 0 HE1 HIS A 25 -10.410 10.171 2.889 1.00 63.20 H new ATOM 0 HE2 HIS A 25 -10.616 7.692 3.387 1.00 2.31 H new ATOM 420 N GLN A 26 -4.739 6.897 5.043 1.00 23.23 N ATOM 421 CA GLN A 26 -4.825 5.910 6.141 1.00 40.02 C ATOM 422 C GLN A 26 -3.501 5.113 6.303 1.00 21.45 C ATOM 423 O GLN A 26 -2.928 4.610 5.337 1.00 10.12 O ATOM 424 CB GLN A 26 -6.030 4.954 5.908 1.00 34.10 C ATOM 425 CG GLN A 26 -5.968 4.125 4.610 1.00 54.50 C ATOM 426 CD GLN A 26 -7.261 3.372 4.307 1.00 1.24 C ATOM 427 OE1 GLN A 26 -8.145 3.881 3.622 1.00 15.35 O ATOM 428 NE2 GLN A 26 -7.388 2.166 4.818 1.00 2.15 N ATOM 0 H GLN A 26 -4.059 6.651 4.324 1.00 23.23 H new ATOM 0 HA GLN A 26 -4.985 6.454 7.072 1.00 40.02 H new ATOM 0 HB2 GLN A 26 -6.100 4.270 6.754 1.00 34.10 H new ATOM 0 HB3 GLN A 26 -6.946 5.545 5.899 1.00 34.10 H new ATOM 0 HG2 GLN A 26 -5.738 4.788 3.776 1.00 54.50 H new ATOM 0 HG3 GLN A 26 -5.149 3.410 4.684 1.00 54.50 H new ATOM 0 HE21 GLN A 26 -6.637 1.770 5.383 1.00 2.15 H new ATOM 0 HE22 GLN A 26 -8.238 1.627 4.649 1.00 2.15 H new ATOM 437 N LYS A 27 -3.040 5.006 7.556 1.00 30.54 N ATOM 438 CA LYS A 27 -1.801 4.275 7.927 1.00 44.25 C ATOM 439 C LYS A 27 -2.024 2.745 7.905 1.00 51.40 C ATOM 440 O LYS A 27 -1.121 1.965 7.584 1.00 63.22 O ATOM 441 CB LYS A 27 -1.374 4.734 9.345 1.00 2.11 C ATOM 442 CG LYS A 27 -1.010 6.234 9.439 1.00 44.42 C ATOM 443 CD LYS A 27 0.336 6.556 8.751 1.00 1.50 C ATOM 444 CE LYS A 27 0.534 8.049 8.479 1.00 30.03 C ATOM 445 NZ LYS A 27 -0.408 8.530 7.439 1.00 31.43 N ATOM 0 H LYS A 27 -3.515 5.425 8.355 1.00 30.54 H new ATOM 0 HA LYS A 27 -1.018 4.499 7.202 1.00 44.25 H new ATOM 0 HB2 LYS A 27 -2.184 4.523 10.043 1.00 2.11 H new ATOM 0 HB3 LYS A 27 -0.516 4.142 9.664 1.00 2.11 H new ATOM 0 HG2 LYS A 27 -1.801 6.827 8.980 1.00 44.42 H new ATOM 0 HG3 LYS A 27 -0.959 6.528 10.487 1.00 44.42 H new ATOM 0 HD2 LYS A 27 1.152 6.197 9.378 1.00 1.50 H new ATOM 0 HD3 LYS A 27 0.394 6.011 7.809 1.00 1.50 H new ATOM 0 HE2 LYS A 27 0.384 8.613 9.400 1.00 30.03 H new ATOM 0 HE3 LYS A 27 1.560 8.231 8.158 1.00 30.03 H new ATOM 0 HZ1 LYS A 27 -0.042 9.408 7.019 1.00 31.43 H new ATOM 0 HZ2 LYS A 27 -0.506 7.807 6.698 1.00 31.43 H new ATOM 0 HZ3 LYS A 27 -1.337 8.713 7.870 1.00 31.43 H new ATOM 459 N TYR A 28 -3.253 2.345 8.267 1.00 72.45 N ATOM 460 CA TYR A 28 -3.670 0.932 8.378 1.00 0.34 C ATOM 461 C TYR A 28 -4.709 0.597 7.287 1.00 24.11 C ATOM 462 O TYR A 28 -5.735 1.277 7.176 1.00 3.10 O ATOM 463 CB TYR A 28 -4.292 0.683 9.779 1.00 34.30 C ATOM 464 CG TYR A 28 -3.399 1.112 10.952 1.00 63.43 C ATOM 465 CD1 TYR A 28 -2.465 0.235 11.507 1.00 12.40 C ATOM 466 CD2 TYR A 28 -3.494 2.395 11.506 1.00 63.43 C ATOM 467 CE1 TYR A 28 -1.657 0.626 12.554 1.00 12.44 C ATOM 468 CE2 TYR A 28 -2.682 2.788 12.549 1.00 63.12 C ATOM 469 CZ TYR A 28 -1.771 1.899 13.074 1.00 64.03 C ATOM 470 OH TYR A 28 -0.956 2.286 14.114 1.00 44.51 O ATOM 0 H TYR A 28 -3.999 3.002 8.495 1.00 72.45 H new ATOM 0 HA TYR A 28 -2.797 0.293 8.245 1.00 0.34 H new ATOM 0 HB2 TYR A 28 -5.239 1.219 9.844 1.00 34.30 H new ATOM 0 HB3 TYR A 28 -4.519 -0.378 9.880 1.00 34.30 H new ATOM 0 HD1 TYR A 28 -2.374 -0.765 11.110 1.00 12.40 H new ATOM 0 HD2 TYR A 28 -4.218 3.091 11.108 1.00 63.43 H new ATOM 0 HE1 TYR A 28 -0.936 -0.064 12.967 1.00 12.44 H new ATOM 0 HE2 TYR A 28 -2.760 3.787 12.952 1.00 63.12 H new ATOM 0 HH TYR A 28 -1.161 3.211 14.363 1.00 44.51 H new ATOM 480 N LEU A 29 -4.434 -0.433 6.469 1.00 13.43 N ATOM 481 CA LEU A 29 -5.418 -0.960 5.497 1.00 72.11 C ATOM 482 C LEU A 29 -6.275 -2.078 6.119 1.00 20.33 C ATOM 483 O LEU A 29 -5.835 -2.785 7.035 1.00 3.53 O ATOM 484 CB LEU A 29 -4.710 -1.508 4.227 1.00 53.31 C ATOM 485 CG LEU A 29 -3.828 -0.496 3.442 1.00 13.11 C ATOM 486 CD1 LEU A 29 -3.279 -1.117 2.143 1.00 20.51 C ATOM 487 CD2 LEU A 29 -4.593 0.811 3.161 1.00 14.35 C ATOM 0 H LEU A 29 -3.538 -0.921 6.459 1.00 13.43 H new ATOM 0 HA LEU A 29 -6.066 -0.129 5.217 1.00 72.11 H new ATOM 0 HB2 LEU A 29 -4.085 -2.352 4.520 1.00 53.31 H new ATOM 0 HB3 LEU A 29 -5.472 -1.895 3.550 1.00 53.31 H new ATOM 0 HG LEU A 29 -2.973 -0.248 4.071 1.00 13.11 H new ATOM 0 HD11 LEU A 29 -2.667 -0.383 1.619 1.00 20.51 H new ATOM 0 HD12 LEU A 29 -2.672 -1.989 2.385 1.00 20.51 H new ATOM 0 HD13 LEU A 29 -4.109 -1.419 1.505 1.00 20.51 H new ATOM 0 HD21 LEU A 29 -3.950 1.498 2.611 1.00 14.35 H new ATOM 0 HD22 LEU A 29 -5.481 0.592 2.568 1.00 14.35 H new ATOM 0 HD23 LEU A 29 -4.890 1.269 4.105 1.00 14.35 H new ATOM 499 N SER A 30 -7.503 -2.224 5.611 1.00 61.41 N ATOM 500 CA SER A 30 -8.329 -3.428 5.843 1.00 61.31 C ATOM 501 C SER A 30 -8.025 -4.468 4.752 1.00 64.53 C ATOM 502 O SER A 30 -7.475 -4.116 3.703 1.00 24.33 O ATOM 503 CB SER A 30 -9.823 -3.066 5.834 1.00 72.23 C ATOM 504 OG SER A 30 -10.129 -2.151 6.867 1.00 31.00 O ATOM 0 H SER A 30 -7.956 -1.519 5.030 1.00 61.41 H new ATOM 0 HA SER A 30 -8.088 -3.846 6.820 1.00 61.31 H new ATOM 0 HB2 SER A 30 -10.090 -2.634 4.870 1.00 72.23 H new ATOM 0 HB3 SER A 30 -10.420 -3.970 5.955 1.00 72.23 H new ATOM 0 HG SER A 30 -11.084 -1.935 6.840 1.00 31.00 H new ATOM 510 N ALA A 31 -8.393 -5.737 5.001 1.00 72.12 N ATOM 511 CA ALA A 31 -8.163 -6.856 4.050 1.00 62.24 C ATOM 512 C ALA A 31 -8.736 -6.594 2.606 1.00 63.43 C ATOM 513 O ALA A 31 -8.000 -6.787 1.627 1.00 51.34 O ATOM 514 CB ALA A 31 -8.696 -8.171 4.649 1.00 10.24 C ATOM 0 H ALA A 31 -8.858 -6.023 5.863 1.00 72.12 H new ATOM 0 HA ALA A 31 -7.085 -6.937 3.910 1.00 62.24 H new ATOM 0 HB1 ALA A 31 -8.524 -8.987 3.947 1.00 10.24 H new ATOM 0 HB2 ALA A 31 -8.177 -8.382 5.584 1.00 10.24 H new ATOM 0 HB3 ALA A 31 -9.765 -8.077 4.841 1.00 10.24 H new ATOM 520 N PRO A 32 -10.029 -6.119 2.426 1.00 24.05 N ATOM 521 CA PRO A 32 -10.563 -5.760 1.075 1.00 1.11 C ATOM 522 C PRO A 32 -9.762 -4.627 0.372 1.00 23.44 C ATOM 523 O PRO A 32 -9.514 -4.693 -0.837 1.00 72.00 O ATOM 524 CB PRO A 32 -12.026 -5.324 1.368 1.00 51.24 C ATOM 525 CG PRO A 32 -12.043 -4.974 2.824 1.00 22.52 C ATOM 526 CD PRO A 32 -11.079 -5.935 3.473 1.00 51.33 C ATOM 0 HA PRO A 32 -10.488 -6.596 0.380 1.00 1.11 H new ATOM 0 HB2 PRO A 32 -12.314 -4.471 0.754 1.00 51.24 H new ATOM 0 HB3 PRO A 32 -12.729 -6.127 1.147 1.00 51.24 H new ATOM 0 HG2 PRO A 32 -11.736 -3.940 2.984 1.00 22.52 H new ATOM 0 HG3 PRO A 32 -13.044 -5.078 3.242 1.00 22.52 H new ATOM 0 HD2 PRO A 32 -10.663 -5.528 4.394 1.00 51.33 H new ATOM 0 HD3 PRO A 32 -11.561 -6.878 3.730 1.00 51.33 H new ATOM 534 N GLU A 33 -9.353 -3.604 1.152 1.00 32.30 N ATOM 535 CA GLU A 33 -8.632 -2.415 0.633 1.00 24.13 C ATOM 536 C GLU A 33 -7.197 -2.759 0.181 1.00 41.35 C ATOM 537 O GLU A 33 -6.692 -2.203 -0.799 1.00 30.14 O ATOM 538 CB GLU A 33 -8.560 -1.322 1.724 1.00 61.50 C ATOM 539 CG GLU A 33 -9.923 -0.871 2.270 1.00 62.34 C ATOM 540 CD GLU A 33 -9.789 0.277 3.274 1.00 63.51 C ATOM 541 OE1 GLU A 33 -9.502 0.010 4.462 1.00 23.43 O ATOM 542 OE2 GLU A 33 -9.925 1.455 2.870 1.00 45.10 O ATOM 0 H GLU A 33 -9.512 -3.576 2.159 1.00 32.30 H new ATOM 0 HA GLU A 33 -9.189 -2.055 -0.232 1.00 24.13 H new ATOM 0 HB2 GLU A 33 -7.957 -1.694 2.552 1.00 61.50 H new ATOM 0 HB3 GLU A 33 -8.042 -0.454 1.316 1.00 61.50 H new ATOM 0 HG2 GLU A 33 -10.559 -0.556 1.442 1.00 62.34 H new ATOM 0 HG3 GLU A 33 -10.419 -1.715 2.749 1.00 62.34 H new ATOM 549 N ARG A 34 -6.550 -3.661 0.942 1.00 63.42 N ATOM 550 CA ARG A 34 -5.161 -4.092 0.699 1.00 12.13 C ATOM 551 C ARG A 34 -5.068 -4.942 -0.593 1.00 34.44 C ATOM 552 O ARG A 34 -4.123 -4.797 -1.375 1.00 64.04 O ATOM 553 CB ARG A 34 -4.654 -4.874 1.942 1.00 1.15 C ATOM 554 CG ARG A 34 -3.145 -5.199 1.945 1.00 1.52 C ATOM 555 CD ARG A 34 -2.712 -5.956 3.215 1.00 44.41 C ATOM 556 NE ARG A 34 -3.436 -7.232 3.359 1.00 54.15 N ATOM 557 CZ ARG A 34 -3.478 -7.987 4.435 1.00 22.34 C ATOM 558 NH1 ARG A 34 -2.901 -7.634 5.542 1.00 53.02 N ATOM 559 NH2 ARG A 34 -4.132 -9.097 4.398 1.00 34.33 N ATOM 0 H ARG A 34 -6.980 -4.114 1.748 1.00 63.42 H new ATOM 0 HA ARG A 34 -4.524 -3.221 0.549 1.00 12.13 H new ATOM 0 HB2 ARG A 34 -4.886 -4.294 2.835 1.00 1.15 H new ATOM 0 HB3 ARG A 34 -5.211 -5.808 2.015 1.00 1.15 H new ATOM 0 HG2 ARG A 34 -2.903 -5.798 1.067 1.00 1.52 H new ATOM 0 HG3 ARG A 34 -2.576 -4.273 1.865 1.00 1.52 H new ATOM 0 HD2 ARG A 34 -1.640 -6.148 3.177 1.00 44.41 H new ATOM 0 HD3 ARG A 34 -2.894 -5.333 4.091 1.00 44.41 H new ATOM 0 HE ARG A 34 -3.955 -7.561 2.545 1.00 54.15 H new ATOM 0 HH11 ARG A 34 -2.397 -6.749 5.595 1.00 53.02 H new ATOM 0 HH12 ARG A 34 -2.952 -8.242 6.360 1.00 53.02 H new ATOM 0 HH21 ARG A 34 -4.608 -9.380 3.542 1.00 34.33 H new ATOM 0 HH22 ARG A 34 -4.173 -9.693 5.225 1.00 34.33 H new ATOM 573 N ALA A 35 -6.084 -5.810 -0.802 1.00 24.12 N ATOM 574 CA ALA A 35 -6.240 -6.617 -2.036 1.00 75.53 C ATOM 575 C ALA A 35 -6.562 -5.735 -3.269 1.00 43.13 C ATOM 576 O ALA A 35 -6.009 -5.948 -4.348 1.00 70.01 O ATOM 577 CB ALA A 35 -7.334 -7.678 -1.833 1.00 33.33 C ATOM 0 H ALA A 35 -6.822 -5.972 -0.117 1.00 24.12 H new ATOM 0 HA ALA A 35 -5.289 -7.112 -2.233 1.00 75.53 H new ATOM 0 HB1 ALA A 35 -7.443 -8.267 -2.744 1.00 33.33 H new ATOM 0 HB2 ALA A 35 -7.056 -8.334 -1.008 1.00 33.33 H new ATOM 0 HB3 ALA A 35 -8.279 -7.186 -1.603 1.00 33.33 H new ATOM 583 N HIS A 36 -7.466 -4.751 -3.080 1.00 34.54 N ATOM 584 CA HIS A 36 -7.849 -3.770 -4.126 1.00 1.44 C ATOM 585 C HIS A 36 -6.626 -2.949 -4.616 1.00 33.43 C ATOM 586 O HIS A 36 -6.409 -2.793 -5.815 1.00 15.33 O ATOM 587 CB HIS A 36 -8.948 -2.829 -3.566 1.00 41.23 C ATOM 588 CG HIS A 36 -9.417 -1.736 -4.504 1.00 33.04 C ATOM 589 ND1 HIS A 36 -10.402 -1.922 -5.456 1.00 1.34 N ATOM 590 CD2 HIS A 36 -9.060 -0.426 -4.604 1.00 21.30 C ATOM 591 CE1 HIS A 36 -10.629 -0.785 -6.085 1.00 2.34 C ATOM 592 NE2 HIS A 36 -9.830 0.135 -5.591 1.00 52.23 N ATOM 0 H HIS A 36 -7.954 -4.611 -2.196 1.00 34.54 H new ATOM 0 HA HIS A 36 -8.236 -4.315 -4.987 1.00 1.44 H new ATOM 0 HB2 HIS A 36 -9.809 -3.434 -3.283 1.00 41.23 H new ATOM 0 HB3 HIS A 36 -8.572 -2.364 -2.655 1.00 41.23 H new ATOM 0 HD2 HIS A 36 -8.309 0.079 -4.015 1.00 21.30 H new ATOM 0 HE1 HIS A 36 -11.351 -0.635 -6.874 1.00 2.34 H new ATOM 0 HE2 HIS A 36 -9.789 1.108 -5.893 1.00 52.23 H new ATOM 601 N LEU A 37 -5.839 -2.438 -3.656 1.00 12.55 N ATOM 602 CA LEU A 37 -4.636 -1.623 -3.933 1.00 13.44 C ATOM 603 C LEU A 37 -3.522 -2.482 -4.592 1.00 12.23 C ATOM 604 O LEU A 37 -2.846 -2.031 -5.530 1.00 4.42 O ATOM 605 CB LEU A 37 -4.138 -0.992 -2.605 1.00 22.51 C ATOM 606 CG LEU A 37 -2.930 -0.002 -2.699 1.00 74.32 C ATOM 607 CD1 LEU A 37 -3.282 1.275 -3.496 1.00 45.20 C ATOM 608 CD2 LEU A 37 -2.398 0.345 -1.298 1.00 63.25 C ATOM 0 H LEU A 37 -6.016 -2.577 -2.661 1.00 12.55 H new ATOM 0 HA LEU A 37 -4.891 -0.830 -4.636 1.00 13.44 H new ATOM 0 HB2 LEU A 37 -4.974 -0.464 -2.146 1.00 22.51 H new ATOM 0 HB3 LEU A 37 -3.862 -1.801 -1.928 1.00 22.51 H new ATOM 0 HG LEU A 37 -2.138 -0.509 -3.250 1.00 74.32 H new ATOM 0 HD11 LEU A 37 -2.413 1.931 -3.534 1.00 45.20 H new ATOM 0 HD12 LEU A 37 -3.575 1.002 -4.510 1.00 45.20 H new ATOM 0 HD13 LEU A 37 -4.107 1.793 -3.007 1.00 45.20 H new ATOM 0 HD21 LEU A 37 -1.559 1.034 -1.388 1.00 63.25 H new ATOM 0 HD22 LEU A 37 -3.190 0.812 -0.713 1.00 63.25 H new ATOM 0 HD23 LEU A 37 -2.068 -0.566 -0.798 1.00 63.25 H new ATOM 620 N ALA A 38 -3.372 -3.728 -4.094 1.00 23.13 N ATOM 621 CA ALA A 38 -2.382 -4.698 -4.607 1.00 14.11 C ATOM 622 C ALA A 38 -2.623 -5.067 -6.088 1.00 71.01 C ATOM 623 O ALA A 38 -1.710 -4.969 -6.901 1.00 3.21 O ATOM 624 CB ALA A 38 -2.373 -5.965 -3.733 1.00 24.43 C ATOM 0 H ALA A 38 -3.935 -4.090 -3.324 1.00 23.13 H new ATOM 0 HA ALA A 38 -1.406 -4.215 -4.555 1.00 14.11 H new ATOM 0 HB1 ALA A 38 -1.639 -6.671 -4.123 1.00 24.43 H new ATOM 0 HB2 ALA A 38 -2.112 -5.699 -2.709 1.00 24.43 H new ATOM 0 HB3 ALA A 38 -3.361 -6.424 -3.748 1.00 24.43 H new ATOM 630 N LYS A 39 -3.865 -5.463 -6.427 1.00 34.32 N ATOM 631 CA LYS A 39 -4.224 -5.919 -7.796 1.00 41.33 C ATOM 632 C LYS A 39 -4.082 -4.790 -8.848 1.00 5.44 C ATOM 633 O LYS A 39 -3.637 -5.045 -9.973 1.00 12.11 O ATOM 634 CB LYS A 39 -5.658 -6.524 -7.814 1.00 32.11 C ATOM 635 CG LYS A 39 -6.811 -5.536 -7.526 1.00 2.10 C ATOM 636 CD LYS A 39 -8.217 -6.190 -7.500 1.00 33.23 C ATOM 637 CE LYS A 39 -8.672 -6.779 -8.860 1.00 53.32 C ATOM 638 NZ LYS A 39 -8.055 -8.104 -9.169 1.00 64.34 N ATOM 0 H LYS A 39 -4.646 -5.478 -5.771 1.00 34.32 H new ATOM 0 HA LYS A 39 -3.515 -6.699 -8.074 1.00 41.33 H new ATOM 0 HB2 LYS A 39 -5.828 -6.976 -8.791 1.00 32.11 H new ATOM 0 HB3 LYS A 39 -5.702 -7.328 -7.079 1.00 32.11 H new ATOM 0 HG2 LYS A 39 -6.629 -5.053 -6.566 1.00 2.10 H new ATOM 0 HG3 LYS A 39 -6.801 -4.753 -8.284 1.00 2.10 H new ATOM 0 HD2 LYS A 39 -8.222 -6.984 -6.754 1.00 33.23 H new ATOM 0 HD3 LYS A 39 -8.945 -5.446 -7.178 1.00 33.23 H new ATOM 0 HE2 LYS A 39 -9.757 -6.884 -8.857 1.00 53.32 H new ATOM 0 HE3 LYS A 39 -8.421 -6.076 -9.654 1.00 53.32 H new ATOM 0 HZ1 LYS A 39 -7.428 -8.011 -9.993 1.00 64.34 H new ATOM 0 HZ2 LYS A 39 -7.504 -8.430 -8.349 1.00 64.34 H new ATOM 0 HZ3 LYS A 39 -8.803 -8.795 -9.380 1.00 64.34 H new ATOM 652 N ASN A 40 -4.445 -3.547 -8.452 1.00 14.42 N ATOM 653 CA ASN A 40 -4.281 -2.340 -9.302 1.00 4.14 C ATOM 654 C ASN A 40 -2.796 -2.077 -9.643 1.00 24.11 C ATOM 655 O ASN A 40 -2.471 -1.649 -10.754 1.00 32.34 O ATOM 656 CB ASN A 40 -4.900 -1.090 -8.611 1.00 62.02 C ATOM 657 CG ASN A 40 -6.426 -1.145 -8.510 1.00 62.30 C ATOM 658 OD1 ASN A 40 -7.096 -1.732 -9.353 1.00 2.45 O ATOM 659 ND2 ASN A 40 -6.995 -0.526 -7.494 1.00 13.25 N ATOM 0 H ASN A 40 -4.858 -3.351 -7.540 1.00 14.42 H new ATOM 0 HA ASN A 40 -4.812 -2.528 -10.235 1.00 4.14 H new ATOM 0 HB2 ASN A 40 -4.480 -0.992 -7.610 1.00 62.02 H new ATOM 0 HB3 ASN A 40 -4.612 -0.197 -9.166 1.00 62.02 H new ATOM 0 HD21 ASN A 40 -8.011 -0.530 -7.399 1.00 13.25 H new ATOM 0 HD22 ASN A 40 -6.420 -0.044 -6.804 1.00 13.25 H new ATOM 666 N LEU A 41 -1.903 -2.359 -8.676 1.00 60.43 N ATOM 667 CA LEU A 41 -0.442 -2.123 -8.805 1.00 72.34 C ATOM 668 C LEU A 41 0.354 -3.432 -9.069 1.00 71.24 C ATOM 669 O LEU A 41 1.586 -3.409 -9.097 1.00 51.24 O ATOM 670 CB LEU A 41 0.056 -1.405 -7.524 1.00 41.13 C ATOM 671 CG LEU A 41 -0.590 -0.009 -7.250 1.00 61.22 C ATOM 672 CD1 LEU A 41 -0.115 0.582 -5.908 1.00 24.14 C ATOM 673 CD2 LEU A 41 -0.321 0.966 -8.421 1.00 21.02 C ATOM 0 H LEU A 41 -2.170 -2.759 -7.777 1.00 60.43 H new ATOM 0 HA LEU A 41 -0.266 -1.492 -9.676 1.00 72.34 H new ATOM 0 HB2 LEU A 41 -0.136 -2.051 -6.667 1.00 41.13 H new ATOM 0 HB3 LEU A 41 1.137 -1.280 -7.594 1.00 41.13 H new ATOM 0 HG LEU A 41 -1.668 -0.154 -7.176 1.00 61.22 H new ATOM 0 HD11 LEU A 41 -0.585 1.553 -5.751 1.00 24.14 H new ATOM 0 HD12 LEU A 41 -0.392 -0.090 -5.096 1.00 24.14 H new ATOM 0 HD13 LEU A 41 0.968 0.702 -5.926 1.00 24.14 H new ATOM 0 HD21 LEU A 41 -0.781 1.930 -8.205 1.00 21.02 H new ATOM 0 HD22 LEU A 41 0.754 1.097 -8.546 1.00 21.02 H new ATOM 0 HD23 LEU A 41 -0.746 0.559 -9.338 1.00 21.02 H new ATOM 685 N LYS A 42 -0.364 -4.562 -9.289 1.00 32.41 N ATOM 686 CA LYS A 42 0.227 -5.908 -9.561 1.00 62.52 C ATOM 687 C LYS A 42 1.167 -6.412 -8.417 1.00 73.31 C ATOM 688 O LYS A 42 2.021 -7.283 -8.632 1.00 34.12 O ATOM 689 CB LYS A 42 0.937 -5.943 -10.953 1.00 72.43 C ATOM 690 CG LYS A 42 -0.012 -5.831 -12.182 1.00 72.23 C ATOM 691 CD LYS A 42 -0.682 -4.443 -12.336 1.00 60.50 C ATOM 692 CE LYS A 42 -1.574 -4.322 -13.580 1.00 52.21 C ATOM 693 NZ LYS A 42 -2.242 -2.995 -13.649 1.00 11.42 N ATOM 0 H LYS A 42 -1.384 -4.570 -9.284 1.00 32.41 H new ATOM 0 HA LYS A 42 -0.606 -6.610 -9.590 1.00 62.52 H new ATOM 0 HB2 LYS A 42 1.659 -5.128 -10.996 1.00 72.43 H new ATOM 0 HB3 LYS A 42 1.501 -6.872 -11.033 1.00 72.43 H new ATOM 0 HG2 LYS A 42 0.554 -6.052 -13.087 1.00 72.23 H new ATOM 0 HG3 LYS A 42 -0.789 -6.591 -12.099 1.00 72.23 H new ATOM 0 HD2 LYS A 42 -1.281 -4.238 -11.449 1.00 60.50 H new ATOM 0 HD3 LYS A 42 0.093 -3.678 -12.380 1.00 60.50 H new ATOM 0 HE2 LYS A 42 -0.972 -4.474 -14.476 1.00 52.21 H new ATOM 0 HE3 LYS A 42 -2.328 -5.109 -13.565 1.00 52.21 H new ATOM 0 HZ1 LYS A 42 -3.204 -3.110 -14.026 1.00 11.42 H new ATOM 0 HZ2 LYS A 42 -2.291 -2.581 -12.696 1.00 11.42 H new ATOM 0 HZ3 LYS A 42 -1.698 -2.365 -14.273 1.00 11.42 H new ATOM 707 N LEU A 43 0.967 -5.866 -7.206 1.00 21.44 N ATOM 708 CA LEU A 43 1.639 -6.321 -5.969 1.00 62.14 C ATOM 709 C LEU A 43 0.833 -7.465 -5.307 1.00 65.44 C ATOM 710 O LEU A 43 -0.244 -7.849 -5.781 1.00 63.44 O ATOM 711 CB LEU A 43 1.762 -5.131 -4.972 1.00 53.02 C ATOM 712 CG LEU A 43 2.604 -3.909 -5.451 1.00 23.23 C ATOM 713 CD1 LEU A 43 2.476 -2.711 -4.482 1.00 24.41 C ATOM 714 CD2 LEU A 43 4.082 -4.292 -5.667 1.00 11.12 C ATOM 0 H LEU A 43 0.327 -5.087 -7.053 1.00 21.44 H new ATOM 0 HA LEU A 43 2.632 -6.690 -6.226 1.00 62.14 H new ATOM 0 HB2 LEU A 43 0.758 -4.781 -4.732 1.00 53.02 H new ATOM 0 HB3 LEU A 43 2.199 -5.505 -4.046 1.00 53.02 H new ATOM 0 HG LEU A 43 2.197 -3.597 -6.413 1.00 23.23 H new ATOM 0 HD11 LEU A 43 3.077 -1.879 -4.850 1.00 24.41 H new ATOM 0 HD12 LEU A 43 1.432 -2.404 -4.419 1.00 24.41 H new ATOM 0 HD13 LEU A 43 2.829 -3.004 -3.493 1.00 24.41 H new ATOM 0 HD21 LEU A 43 4.640 -3.417 -6.001 1.00 11.12 H new ATOM 0 HD22 LEU A 43 4.504 -4.656 -4.730 1.00 11.12 H new ATOM 0 HD23 LEU A 43 4.148 -5.074 -6.423 1.00 11.12 H new ATOM 726 N THR A 44 1.361 -7.997 -4.199 1.00 25.00 N ATOM 727 CA THR A 44 0.612 -8.916 -3.311 1.00 60.40 C ATOM 728 C THR A 44 0.230 -8.169 -2.020 1.00 12.43 C ATOM 729 O THR A 44 0.846 -7.145 -1.690 1.00 4.43 O ATOM 730 CB THR A 44 1.449 -10.187 -2.944 1.00 14.11 C ATOM 731 OG1 THR A 44 2.574 -9.821 -2.128 1.00 45.22 O ATOM 732 CG2 THR A 44 1.955 -10.922 -4.199 1.00 72.51 C ATOM 0 H THR A 44 2.314 -7.809 -3.887 1.00 25.00 H new ATOM 0 HA THR A 44 -0.280 -9.247 -3.844 1.00 60.40 H new ATOM 0 HB THR A 44 0.791 -10.860 -2.394 1.00 14.11 H new ATOM 0 HG1 THR A 44 3.249 -10.530 -2.165 1.00 45.22 H new ATOM 0 HG21 THR A 44 2.531 -11.798 -3.900 1.00 72.51 H new ATOM 0 HG22 THR A 44 1.105 -11.236 -4.804 1.00 72.51 H new ATOM 0 HG23 THR A 44 2.588 -10.253 -4.782 1.00 72.51 H new ATOM 740 N GLU A 45 -0.775 -8.686 -1.286 1.00 51.12 N ATOM 741 CA GLU A 45 -1.162 -8.152 0.047 1.00 73.24 C ATOM 742 C GLU A 45 0.012 -8.218 1.050 1.00 73.02 C ATOM 743 O GLU A 45 0.050 -7.463 2.027 1.00 44.02 O ATOM 744 CB GLU A 45 -2.401 -8.904 0.612 1.00 62.44 C ATOM 745 CG GLU A 45 -3.717 -8.611 -0.125 1.00 22.23 C ATOM 746 CD GLU A 45 -4.944 -9.231 0.563 1.00 72.23 C ATOM 747 OE1 GLU A 45 -5.405 -8.684 1.591 1.00 43.31 O ATOM 748 OE2 GLU A 45 -5.458 -10.268 0.085 1.00 3.05 O ATOM 0 H GLU A 45 -1.340 -9.478 -1.591 1.00 51.12 H new ATOM 0 HA GLU A 45 -1.427 -7.104 -0.090 1.00 73.24 H new ATOM 0 HB2 GLU A 45 -2.208 -9.976 0.572 1.00 62.44 H new ATOM 0 HB3 GLU A 45 -2.522 -8.641 1.663 1.00 62.44 H new ATOM 0 HG2 GLU A 45 -3.854 -7.532 -0.196 1.00 22.23 H new ATOM 0 HG3 GLU A 45 -3.648 -8.991 -1.144 1.00 22.23 H new ATOM 755 N THR A 46 0.960 -9.132 0.787 1.00 33.21 N ATOM 756 CA THR A 46 2.232 -9.214 1.515 1.00 14.24 C ATOM 757 C THR A 46 3.071 -7.933 1.283 1.00 22.44 C ATOM 758 O THR A 46 3.328 -7.193 2.220 1.00 63.42 O ATOM 759 CB THR A 46 3.058 -10.472 1.070 1.00 31.10 C ATOM 760 OG1 THR A 46 2.257 -11.660 1.204 1.00 54.11 O ATOM 761 CG2 THR A 46 4.350 -10.640 1.891 1.00 2.41 C ATOM 0 H THR A 46 0.862 -9.839 0.058 1.00 33.21 H new ATOM 0 HA THR A 46 2.002 -9.307 2.576 1.00 14.24 H new ATOM 0 HB THR A 46 3.338 -10.320 0.028 1.00 31.10 H new ATOM 0 HG1 THR A 46 2.779 -12.440 0.923 1.00 54.11 H new ATOM 0 HG21 THR A 46 4.888 -11.524 1.547 1.00 2.41 H new ATOM 0 HG22 THR A 46 4.980 -9.759 1.763 1.00 2.41 H new ATOM 0 HG23 THR A 46 4.099 -10.756 2.945 1.00 2.41 H new ATOM 769 N GLN A 47 3.419 -7.666 0.002 1.00 21.25 N ATOM 770 CA GLN A 47 4.315 -6.549 -0.404 1.00 15.32 C ATOM 771 C GLN A 47 3.739 -5.167 -0.022 1.00 41.23 C ATOM 772 O GLN A 47 4.485 -4.272 0.384 1.00 24.23 O ATOM 773 CB GLN A 47 4.556 -6.593 -1.932 1.00 2.32 C ATOM 774 CG GLN A 47 5.115 -7.933 -2.454 1.00 51.24 C ATOM 775 CD GLN A 47 5.190 -8.027 -3.982 1.00 44.43 C ATOM 776 OE1 GLN A 47 5.522 -6.940 -4.644 1.00 73.41 O flip ATOM 777 NE2 GLN A 47 4.979 -9.082 -4.564 1.00 14.32 N flip ATOM 0 H GLN A 47 3.086 -8.221 -0.786 1.00 21.25 H new ATOM 0 HA GLN A 47 5.255 -6.681 0.132 1.00 15.32 H new ATOM 0 HB2 GLN A 47 3.615 -6.383 -2.441 1.00 2.32 H new ATOM 0 HB3 GLN A 47 5.249 -5.796 -2.201 1.00 2.32 H new ATOM 0 HG2 GLN A 47 6.113 -8.083 -2.042 1.00 51.24 H new ATOM 0 HG3 GLN A 47 4.491 -8.745 -2.081 1.00 51.24 H new ATOM 0 HE21 GLN A 47 4.723 -9.915 -4.034 1.00 14.32 H new ATOM 0 HE22 GLN A 47 5.060 -9.129 -5.580 1.00 14.32 H new ATOM 786 N VAL A 48 2.413 -5.013 -0.197 1.00 64.00 N ATOM 787 CA VAL A 48 1.673 -3.800 0.209 1.00 12.50 C ATOM 788 C VAL A 48 1.729 -3.598 1.742 1.00 32.12 C ATOM 789 O VAL A 48 2.032 -2.500 2.207 1.00 24.43 O ATOM 790 CB VAL A 48 0.171 -3.851 -0.282 1.00 53.11 C ATOM 791 CG1 VAL A 48 -0.652 -2.648 0.234 1.00 22.13 C ATOM 792 CG2 VAL A 48 0.103 -3.927 -1.824 1.00 74.44 C ATOM 0 H VAL A 48 1.822 -5.726 -0.624 1.00 64.00 H new ATOM 0 HA VAL A 48 2.159 -2.949 -0.268 1.00 12.50 H new ATOM 0 HB VAL A 48 -0.272 -4.754 0.137 1.00 53.11 H new ATOM 0 HG11 VAL A 48 -1.677 -2.726 -0.129 1.00 22.13 H new ATOM 0 HG12 VAL A 48 -0.652 -2.648 1.324 1.00 22.13 H new ATOM 0 HG13 VAL A 48 -0.208 -1.721 -0.129 1.00 22.13 H new ATOM 0 HG21 VAL A 48 -0.939 -3.961 -2.141 1.00 74.44 H new ATOM 0 HG22 VAL A 48 0.584 -3.048 -2.253 1.00 74.44 H new ATOM 0 HG23 VAL A 48 0.616 -4.825 -2.167 1.00 74.44 H new ATOM 802 N LYS A 49 1.467 -4.675 2.522 1.00 10.24 N ATOM 803 CA LYS A 49 1.511 -4.605 4.006 1.00 53.10 C ATOM 804 C LYS A 49 2.944 -4.318 4.527 1.00 70.13 C ATOM 805 O LYS A 49 3.103 -3.611 5.518 1.00 44.41 O ATOM 806 CB LYS A 49 0.952 -5.900 4.654 1.00 33.50 C ATOM 807 CG LYS A 49 0.803 -5.833 6.198 1.00 40.33 C ATOM 808 CD LYS A 49 0.144 -7.083 6.843 1.00 22.03 C ATOM 809 CE LYS A 49 0.959 -8.385 6.698 1.00 2.32 C ATOM 810 NZ LYS A 49 0.898 -8.967 5.330 1.00 34.13 N ATOM 0 H LYS A 49 1.225 -5.595 2.154 1.00 10.24 H new ATOM 0 HA LYS A 49 0.872 -3.772 4.299 1.00 53.10 H new ATOM 0 HB2 LYS A 49 -0.022 -6.119 4.217 1.00 33.50 H new ATOM 0 HB3 LYS A 49 1.610 -6.731 4.401 1.00 33.50 H new ATOM 0 HG2 LYS A 49 1.790 -5.692 6.639 1.00 40.33 H new ATOM 0 HG3 LYS A 49 0.211 -4.954 6.454 1.00 40.33 H new ATOM 0 HD2 LYS A 49 -0.017 -6.887 7.903 1.00 22.03 H new ATOM 0 HD3 LYS A 49 -0.838 -7.232 6.394 1.00 22.03 H new ATOM 0 HE2 LYS A 49 1.999 -8.185 6.954 1.00 2.32 H new ATOM 0 HE3 LYS A 49 0.590 -9.119 7.414 1.00 2.32 H new ATOM 0 HZ1 LYS A 49 0.670 -9.980 5.393 1.00 34.13 H new ATOM 0 HZ2 LYS A 49 0.163 -8.480 4.778 1.00 34.13 H new ATOM 0 HZ3 LYS A 49 1.819 -8.849 4.861 1.00 34.13 H new ATOM 824 N ILE A 50 3.971 -4.864 3.835 1.00 34.41 N ATOM 825 CA ILE A 50 5.400 -4.595 4.142 1.00 4.11 C ATOM 826 C ILE A 50 5.710 -3.102 3.925 1.00 13.33 C ATOM 827 O ILE A 50 6.231 -2.432 4.815 1.00 21.22 O ATOM 828 CB ILE A 50 6.370 -5.468 3.243 1.00 1.14 C ATOM 829 CG1 ILE A 50 6.174 -6.985 3.528 1.00 23.11 C ATOM 830 CG2 ILE A 50 7.859 -5.066 3.438 1.00 42.24 C ATOM 831 CD1 ILE A 50 6.882 -7.924 2.571 1.00 61.34 C ATOM 0 H ILE A 50 3.836 -5.502 3.050 1.00 34.41 H new ATOM 0 HA ILE A 50 5.569 -4.866 5.184 1.00 4.11 H new ATOM 0 HB ILE A 50 6.109 -5.272 2.203 1.00 1.14 H new ATOM 0 HG12 ILE A 50 6.521 -7.195 4.540 1.00 23.11 H new ATOM 0 HG13 ILE A 50 5.107 -7.207 3.505 1.00 23.11 H new ATOM 0 HG21 ILE A 50 8.490 -5.689 2.804 1.00 42.24 H new ATOM 0 HG22 ILE A 50 7.992 -4.019 3.166 1.00 42.24 H new ATOM 0 HG23 ILE A 50 8.141 -5.208 4.481 1.00 42.24 H new ATOM 0 HD11 ILE A 50 6.680 -8.956 2.858 1.00 61.34 H new ATOM 0 HD12 ILE A 50 6.520 -7.752 1.558 1.00 61.34 H new ATOM 0 HD13 ILE A 50 7.956 -7.740 2.608 1.00 61.34 H new ATOM 843 N TRP A 51 5.346 -2.603 2.731 1.00 72.01 N ATOM 844 CA TRP A 51 5.573 -1.206 2.321 1.00 71.31 C ATOM 845 C TRP A 51 4.945 -0.229 3.353 1.00 13.52 C ATOM 846 O TRP A 51 5.634 0.640 3.881 1.00 34.21 O ATOM 847 CB TRP A 51 4.999 -0.989 0.890 1.00 42.53 C ATOM 848 CG TRP A 51 5.366 0.336 0.251 1.00 10.14 C ATOM 849 CD1 TRP A 51 6.395 0.586 -0.615 1.00 32.00 C ATOM 850 CD2 TRP A 51 4.706 1.592 0.444 1.00 72.01 C ATOM 851 NE1 TRP A 51 6.398 1.905 -0.977 1.00 51.40 N ATOM 852 CE2 TRP A 51 5.376 2.543 -0.333 1.00 23.22 C ATOM 853 CE3 TRP A 51 3.614 1.993 1.205 1.00 52.45 C ATOM 854 CZ2 TRP A 51 4.981 3.874 -0.371 1.00 72.50 C ATOM 855 CZ3 TRP A 51 3.223 3.305 1.177 1.00 31.04 C ATOM 856 CH2 TRP A 51 3.905 4.233 0.396 1.00 34.10 C ATOM 0 H TRP A 51 4.881 -3.163 2.016 1.00 72.01 H new ATOM 0 HA TRP A 51 6.643 -0.998 2.294 1.00 71.31 H new ATOM 0 HB2 TRP A 51 5.350 -1.796 0.247 1.00 42.53 H new ATOM 0 HB3 TRP A 51 3.913 -1.066 0.934 1.00 42.53 H new ATOM 0 HD1 TRP A 51 7.103 -0.152 -0.963 1.00 32.00 H new ATOM 0 HE1 TRP A 51 7.056 2.341 -1.623 1.00 51.40 H new ATOM 0 HE3 TRP A 51 3.080 1.277 1.812 1.00 52.45 H new ATOM 0 HZ2 TRP A 51 5.502 4.597 -0.981 1.00 72.50 H new ATOM 0 HZ3 TRP A 51 2.376 3.623 1.767 1.00 31.04 H new ATOM 0 HH2 TRP A 51 3.577 5.262 0.395 1.00 34.10 H new ATOM 867 N PHE A 52 3.640 -0.417 3.636 1.00 22.21 N ATOM 868 CA PHE A 52 2.887 0.370 4.649 1.00 23.30 C ATOM 869 C PHE A 52 3.499 0.260 6.071 1.00 20.43 C ATOM 870 O PHE A 52 3.585 1.262 6.776 1.00 73.45 O ATOM 871 CB PHE A 52 1.385 -0.059 4.658 1.00 0.23 C ATOM 872 CG PHE A 52 0.540 0.623 3.571 1.00 35.44 C ATOM 873 CD1 PHE A 52 0.784 0.398 2.217 1.00 53.41 C ATOM 874 CD2 PHE A 52 -0.484 1.513 3.906 1.00 41.51 C ATOM 875 CE1 PHE A 52 0.050 1.041 1.243 1.00 74.41 C ATOM 876 CE2 PHE A 52 -1.223 2.151 2.927 1.00 72.13 C ATOM 877 CZ PHE A 52 -0.955 1.915 1.597 1.00 63.13 C ATOM 0 H PHE A 52 3.070 -1.122 3.168 1.00 22.21 H new ATOM 0 HA PHE A 52 2.960 1.418 4.360 1.00 23.30 H new ATOM 0 HB2 PHE A 52 1.324 -1.140 4.528 1.00 0.23 H new ATOM 0 HB3 PHE A 52 0.957 0.169 5.634 1.00 0.23 H new ATOM 0 HD1 PHE A 52 1.562 -0.292 1.926 1.00 53.41 H new ATOM 0 HD2 PHE A 52 -0.702 1.706 4.946 1.00 41.51 H new ATOM 0 HE1 PHE A 52 0.263 0.859 0.200 1.00 74.41 H new ATOM 0 HE2 PHE A 52 -2.011 2.835 3.206 1.00 72.13 H new ATOM 0 HZ PHE A 52 -1.532 2.414 0.832 1.00 63.13 H new ATOM 887 N GLN A 53 3.943 -0.952 6.460 1.00 63.23 N ATOM 888 CA GLN A 53 4.507 -1.225 7.813 1.00 33.23 C ATOM 889 C GLN A 53 5.804 -0.415 8.068 1.00 44.32 C ATOM 890 O GLN A 53 5.964 0.216 9.120 1.00 33.52 O ATOM 891 CB GLN A 53 4.773 -2.751 7.971 1.00 23.41 C ATOM 892 CG GLN A 53 5.317 -3.225 9.338 1.00 73.04 C ATOM 893 CD GLN A 53 4.444 -2.812 10.529 1.00 44.42 C ATOM 894 OE1 GLN A 53 4.677 -1.792 11.164 1.00 74.31 O ATOM 895 NE2 GLN A 53 3.408 -3.582 10.807 1.00 64.54 N ATOM 0 H GLN A 53 3.924 -1.772 5.853 1.00 63.23 H new ATOM 0 HA GLN A 53 3.777 -0.907 8.557 1.00 33.23 H new ATOM 0 HB2 GLN A 53 3.841 -3.281 7.774 1.00 23.41 H new ATOM 0 HB3 GLN A 53 5.481 -3.054 7.200 1.00 23.41 H new ATOM 0 HG2 GLN A 53 5.408 -4.311 9.325 1.00 73.04 H new ATOM 0 HG3 GLN A 53 6.320 -2.823 9.478 1.00 73.04 H new ATOM 0 HE21 GLN A 53 3.239 -4.426 10.260 1.00 64.54 H new ATOM 0 HE22 GLN A 53 2.777 -3.332 11.568 1.00 64.54 H new ATOM 904 N ASN A 54 6.715 -0.430 7.079 1.00 52.21 N ATOM 905 CA ASN A 54 7.996 0.309 7.161 1.00 23.33 C ATOM 906 C ASN A 54 7.832 1.804 6.858 1.00 42.25 C ATOM 907 O ASN A 54 8.669 2.612 7.256 1.00 73.45 O ATOM 908 CB ASN A 54 9.054 -0.334 6.251 1.00 45.23 C ATOM 909 CG ASN A 54 9.379 -1.735 6.730 1.00 5.31 C ATOM 910 OD1 ASN A 54 10.243 -1.927 7.564 1.00 34.52 O ATOM 911 ND2 ASN A 54 8.680 -2.716 6.219 1.00 75.03 N ATOM 0 H ASN A 54 6.591 -0.947 6.209 1.00 52.21 H new ATOM 0 HA ASN A 54 8.342 0.239 8.192 1.00 23.33 H new ATOM 0 HB2 ASN A 54 8.688 -0.369 5.225 1.00 45.23 H new ATOM 0 HB3 ASN A 54 9.958 0.275 6.246 1.00 45.23 H new ATOM 0 HD21 ASN A 54 8.853 -3.676 6.519 1.00 75.03 H new ATOM 0 HD22 ASN A 54 7.962 -2.521 5.521 1.00 75.03 H new ATOM 918 N ARG A 55 6.770 2.166 6.136 1.00 11.24 N ATOM 919 CA ARG A 55 6.366 3.572 5.984 1.00 44.03 C ATOM 920 C ARG A 55 5.837 4.153 7.322 1.00 11.23 C ATOM 921 O ARG A 55 6.050 5.328 7.607 1.00 34.12 O ATOM 922 CB ARG A 55 5.343 3.743 4.817 1.00 4.13 C ATOM 923 CG ARG A 55 5.910 4.401 3.535 1.00 30.31 C ATOM 924 CD ARG A 55 6.821 3.486 2.692 1.00 73.20 C ATOM 925 NE ARG A 55 8.044 3.045 3.384 1.00 2.21 N ATOM 926 CZ ARG A 55 8.664 1.905 3.155 1.00 34.23 C ATOM 927 NH1 ARG A 55 8.183 1.032 2.319 1.00 50.03 N ATOM 928 NH2 ARG A 55 9.758 1.634 3.773 1.00 52.44 N ATOM 0 H ARG A 55 6.169 1.504 5.644 1.00 11.24 H new ATOM 0 HA ARG A 55 7.250 4.151 5.717 1.00 44.03 H new ATOM 0 HB2 ARG A 55 4.945 2.762 4.557 1.00 4.13 H new ATOM 0 HB3 ARG A 55 4.506 4.342 5.174 1.00 4.13 H new ATOM 0 HG2 ARG A 55 5.078 4.734 2.915 1.00 30.31 H new ATOM 0 HG3 ARG A 55 6.473 5.291 3.818 1.00 30.31 H new ATOM 0 HD2 ARG A 55 6.252 2.607 2.388 1.00 73.20 H new ATOM 0 HD3 ARG A 55 7.103 4.014 1.781 1.00 73.20 H new ATOM 0 HE ARG A 55 8.439 3.666 4.090 1.00 2.21 H new ATOM 0 HH11 ARG A 55 7.311 1.224 1.827 1.00 50.03 H new ATOM 0 HH12 ARG A 55 8.678 0.155 2.156 1.00 50.03 H new ATOM 0 HH21 ARG A 55 10.146 2.301 4.440 1.00 52.44 H new ATOM 0 HH22 ARG A 55 10.238 0.752 3.596 1.00 52.44 H new ATOM 942 N ARG A 56 5.176 3.310 8.151 1.00 74.12 N ATOM 943 CA ARG A 56 4.800 3.676 9.544 1.00 31.25 C ATOM 944 C ARG A 56 6.077 3.826 10.413 1.00 62.54 C ATOM 945 O ARG A 56 6.195 4.748 11.227 1.00 14.13 O ATOM 946 CB ARG A 56 3.860 2.601 10.155 1.00 42.20 C ATOM 947 CG ARG A 56 2.476 2.476 9.473 1.00 50.43 C ATOM 948 CD ARG A 56 1.632 1.323 10.057 1.00 52.24 C ATOM 949 NE ARG A 56 1.403 1.475 11.512 1.00 31.13 N ATOM 950 CZ ARG A 56 1.869 0.680 12.460 1.00 75.31 C ATOM 951 NH1 ARG A 56 2.622 -0.343 12.179 1.00 71.30 N ATOM 952 NH2 ARG A 56 1.573 0.921 13.693 1.00 31.53 N ATOM 0 H ARG A 56 4.890 2.369 7.881 1.00 74.12 H new ATOM 0 HA ARG A 56 4.268 4.627 9.524 1.00 31.25 H new ATOM 0 HB2 ARG A 56 4.360 1.634 10.107 1.00 42.20 H new ATOM 0 HB3 ARG A 56 3.709 2.830 11.210 1.00 42.20 H new ATOM 0 HG2 ARG A 56 1.932 3.414 9.587 1.00 50.43 H new ATOM 0 HG3 ARG A 56 2.614 2.315 8.404 1.00 50.43 H new ATOM 0 HD2 ARG A 56 0.672 1.282 9.543 1.00 52.24 H new ATOM 0 HD3 ARG A 56 2.136 0.375 9.868 1.00 52.24 H new ATOM 0 HE ARG A 56 0.833 2.266 11.811 1.00 31.13 H new ATOM 0 HH11 ARG A 56 2.865 -0.546 11.209 1.00 71.30 H new ATOM 0 HH12 ARG A 56 2.969 -0.942 12.928 1.00 71.30 H new ATOM 0 HH21 ARG A 56 0.984 1.719 13.929 1.00 31.53 H new ATOM 0 HH22 ARG A 56 1.928 0.313 14.431 1.00 31.53 H new ATOM 966 N TYR A 57 7.022 2.893 10.207 1.00 71.44 N ATOM 967 CA TYR A 57 8.389 2.941 10.781 1.00 33.10 C ATOM 968 C TYR A 57 9.222 4.123 10.200 1.00 0.52 C ATOM 969 O TYR A 57 10.250 4.506 10.768 1.00 23.55 O ATOM 970 CB TYR A 57 9.078 1.536 10.564 1.00 54.24 C ATOM 971 CG TYR A 57 10.612 1.528 10.368 1.00 54.32 C ATOM 972 CD1 TYR A 57 11.485 1.521 11.451 1.00 34.35 C ATOM 973 CD2 TYR A 57 11.183 1.547 9.087 1.00 3.34 C ATOM 974 CE1 TYR A 57 12.856 1.537 11.274 1.00 0.32 C ATOM 975 CE2 TYR A 57 12.551 1.557 8.911 1.00 4.55 C ATOM 976 CZ TYR A 57 13.380 1.556 10.008 1.00 62.34 C ATOM 977 OH TYR A 57 14.749 1.572 9.839 1.00 54.23 O ATOM 0 H TYR A 57 6.861 2.069 9.628 1.00 71.44 H new ATOM 0 HA TYR A 57 8.330 3.136 11.852 1.00 33.10 H new ATOM 0 HB2 TYR A 57 8.843 0.908 11.423 1.00 54.24 H new ATOM 0 HB3 TYR A 57 8.623 1.067 9.692 1.00 54.24 H new ATOM 0 HD1 TYR A 57 11.083 1.503 12.453 1.00 34.35 H new ATOM 0 HD2 TYR A 57 10.538 1.554 8.221 1.00 3.34 H new ATOM 0 HE1 TYR A 57 13.513 1.535 12.132 1.00 0.32 H new ATOM 0 HE2 TYR A 57 12.969 1.566 7.915 1.00 4.55 H new ATOM 0 HH TYR A 57 15.177 1.107 10.588 1.00 54.23 H new ATOM 987 N LYS A 58 8.803 4.671 9.052 1.00 13.50 N ATOM 988 CA LYS A 58 9.472 5.842 8.442 1.00 21.32 C ATOM 989 C LYS A 58 8.879 7.221 8.884 1.00 34.21 C ATOM 990 O LYS A 58 9.616 8.208 8.944 1.00 41.04 O ATOM 991 CB LYS A 58 9.475 5.700 6.897 1.00 54.01 C ATOM 992 CG LYS A 58 10.650 6.423 6.230 1.00 73.31 C ATOM 993 CD LYS A 58 10.659 6.296 4.696 1.00 25.34 C ATOM 994 CE LYS A 58 11.781 7.128 4.050 1.00 24.32 C ATOM 995 NZ LYS A 58 11.682 8.574 4.406 1.00 44.21 N ATOM 0 H LYS A 58 8.003 4.326 8.521 1.00 13.50 H new ATOM 0 HA LYS A 58 10.496 5.844 8.814 1.00 21.32 H new ATOM 0 HB2 LYS A 58 9.511 4.643 6.635 1.00 54.01 H new ATOM 0 HB3 LYS A 58 8.540 6.095 6.500 1.00 54.01 H new ATOM 0 HG2 LYS A 58 10.616 7.479 6.499 1.00 73.31 H new ATOM 0 HG3 LYS A 58 11.584 6.023 6.625 1.00 73.31 H new ATOM 0 HD2 LYS A 58 10.781 5.248 4.421 1.00 25.34 H new ATOM 0 HD3 LYS A 58 9.696 6.619 4.301 1.00 25.34 H new ATOM 0 HE2 LYS A 58 12.749 6.742 4.370 1.00 24.32 H new ATOM 0 HE3 LYS A 58 11.736 7.018 2.967 1.00 24.32 H new ATOM 0 HZ1 LYS A 58 12.269 9.133 3.755 1.00 44.21 H new ATOM 0 HZ2 LYS A 58 10.692 8.883 4.331 1.00 44.21 H new ATOM 0 HZ3 LYS A 58 12.016 8.715 5.381 1.00 44.21 H new ATOM 1009 N THR A 59 7.558 7.283 9.193 1.00 12.35 N ATOM 1010 CA THR A 59 6.822 8.579 9.421 1.00 54.24 C ATOM 1011 C THR A 59 7.301 9.382 10.657 1.00 51.33 C ATOM 1012 O THR A 59 7.712 8.806 11.660 1.00 22.10 O ATOM 1013 CB THR A 59 5.268 8.368 9.565 1.00 34.12 C ATOM 1014 OG1 THR A 59 4.984 7.279 10.465 1.00 3.43 O ATOM 1015 CG2 THR A 59 4.597 8.113 8.216 1.00 74.41 C ATOM 0 H THR A 59 6.970 6.456 9.293 1.00 12.35 H new ATOM 0 HA THR A 59 7.052 9.156 8.525 1.00 54.24 H new ATOM 0 HB THR A 59 4.858 9.291 9.974 1.00 34.12 H new ATOM 0 HG1 THR A 59 4.676 7.636 11.324 1.00 3.43 H new ATOM 0 HG21 THR A 59 3.526 7.973 8.363 1.00 74.41 H new ATOM 0 HG22 THR A 59 4.765 8.967 7.559 1.00 74.41 H new ATOM 0 HG23 THR A 59 5.021 7.217 7.762 1.00 74.41 H new ATOM 1023 N LYS A 60 7.191 10.728 10.558 1.00 1.51 N ATOM 1024 CA LYS A 60 7.486 11.668 11.669 1.00 51.33 C ATOM 1025 C LYS A 60 6.515 11.460 12.859 1.00 60.22 C ATOM 1026 O LYS A 60 6.930 11.468 14.020 1.00 44.34 O ATOM 1027 CB LYS A 60 7.413 13.136 11.167 1.00 71.11 C ATOM 1028 CG LYS A 60 8.356 13.464 9.984 1.00 40.35 C ATOM 1029 CD LYS A 60 8.343 14.963 9.587 1.00 12.52 C ATOM 1030 CE LYS A 60 6.937 15.489 9.226 1.00 12.42 C ATOM 1031 NZ LYS A 60 6.334 14.776 8.069 1.00 42.33 N ATOM 0 H LYS A 60 6.894 11.196 9.702 1.00 1.51 H new ATOM 0 HA LYS A 60 8.497 11.462 12.021 1.00 51.33 H new ATOM 0 HB2 LYS A 60 6.388 13.352 10.867 1.00 71.11 H new ATOM 0 HB3 LYS A 60 7.649 13.802 11.997 1.00 71.11 H new ATOM 0 HG2 LYS A 60 9.373 13.174 10.248 1.00 40.35 H new ATOM 0 HG3 LYS A 60 8.067 12.864 9.121 1.00 40.35 H new ATOM 0 HD2 LYS A 60 8.743 15.553 10.411 1.00 12.52 H new ATOM 0 HD3 LYS A 60 9.008 15.112 8.736 1.00 12.52 H new ATOM 0 HE2 LYS A 60 6.282 15.386 10.091 1.00 12.42 H new ATOM 0 HE3 LYS A 60 7.000 16.553 8.998 1.00 12.42 H new ATOM 0 HZ1 LYS A 60 5.392 15.170 7.871 1.00 42.33 H new ATOM 0 HZ2 LYS A 60 6.941 14.895 7.233 1.00 42.33 H new ATOM 0 HZ3 LYS A 60 6.246 13.764 8.292 1.00 42.33 H new ATOM 1045 N ARG A 61 5.211 11.296 12.557 1.00 1.45 N ATOM 1046 CA ARG A 61 4.207 10.912 13.574 1.00 71.23 C ATOM 1047 C ARG A 61 4.374 9.414 13.916 1.00 63.15 C ATOM 1048 O ARG A 61 4.092 8.552 13.074 1.00 63.31 O ATOM 1049 CB ARG A 61 2.766 11.200 13.078 1.00 23.14 C ATOM 1050 CG ARG A 61 1.670 10.919 14.136 1.00 4.40 C ATOM 1051 CD ARG A 61 0.242 11.129 13.601 1.00 72.54 C ATOM 1052 NE ARG A 61 0.027 12.499 13.100 1.00 41.12 N ATOM 1053 CZ ARG A 61 -0.494 13.501 13.784 1.00 72.23 C ATOM 1054 NH1 ARG A 61 -0.874 13.357 15.019 1.00 22.31 N ATOM 1055 NH2 ARG A 61 -0.638 14.649 13.212 1.00 55.53 N ATOM 0 H ARG A 61 4.828 11.423 11.620 1.00 1.45 H new ATOM 0 HA ARG A 61 4.370 11.510 14.471 1.00 71.23 H new ATOM 0 HB2 ARG A 61 2.700 12.243 12.769 1.00 23.14 H new ATOM 0 HB3 ARG A 61 2.568 10.593 12.194 1.00 23.14 H new ATOM 0 HG2 ARG A 61 1.771 9.893 14.491 1.00 4.40 H new ATOM 0 HG3 ARG A 61 1.828 11.570 14.996 1.00 4.40 H new ATOM 0 HD2 ARG A 61 0.049 10.417 12.799 1.00 72.54 H new ATOM 0 HD3 ARG A 61 -0.475 10.918 14.394 1.00 72.54 H new ATOM 0 HE ARG A 61 0.306 12.690 12.138 1.00 41.12 H new ATOM 0 HH11 ARG A 61 -0.773 12.454 15.482 1.00 22.31 H new ATOM 0 HH12 ARG A 61 -1.274 14.147 15.525 1.00 22.31 H new ATOM 0 HH21 ARG A 61 -0.351 14.775 12.241 1.00 55.53 H new ATOM 0 HH22 ARG A 61 -1.039 15.430 13.730 1.00 55.53 H new ATOM 1069 N LYS A 62 4.842 9.112 15.139 1.00 31.12 N ATOM 1070 CA LYS A 62 5.211 7.737 15.536 1.00 1.45 C ATOM 1071 C LYS A 62 5.495 7.653 17.052 1.00 3.50 C ATOM 1072 O LYS A 62 6.178 8.532 17.587 1.00 24.11 O ATOM 1073 CB LYS A 62 6.479 7.311 14.759 1.00 60.02 C ATOM 1074 CG LYS A 62 6.865 5.818 14.867 1.00 35.22 C ATOM 1075 CD LYS A 62 8.320 5.560 14.427 1.00 3.33 C ATOM 1076 CE LYS A 62 8.654 6.171 13.052 1.00 23.32 C ATOM 1077 NZ LYS A 62 10.117 6.184 12.783 1.00 74.53 N ATOM 0 H LYS A 62 4.975 9.805 15.876 1.00 31.12 H new ATOM 0 HA LYS A 62 4.378 7.073 15.303 1.00 1.45 H new ATOM 0 HB2 LYS A 62 6.336 7.554 13.706 1.00 60.02 H new ATOM 0 HB3 LYS A 62 7.318 7.910 15.114 1.00 60.02 H new ATOM 0 HG2 LYS A 62 6.734 5.484 15.896 1.00 35.22 H new ATOM 0 HG3 LYS A 62 6.190 5.224 14.251 1.00 35.22 H new ATOM 0 HD2 LYS A 62 8.998 5.972 15.175 1.00 3.33 H new ATOM 0 HD3 LYS A 62 8.498 4.485 14.393 1.00 3.33 H new ATOM 0 HE2 LYS A 62 8.148 5.603 12.271 1.00 23.32 H new ATOM 0 HE3 LYS A 62 8.269 7.190 13.006 1.00 23.32 H new ATOM 0 HZ1 LYS A 62 10.338 6.939 12.103 1.00 74.53 H new ATOM 0 HZ2 LYS A 62 10.632 6.355 13.670 1.00 74.53 H new ATOM 0 HZ3 LYS A 62 10.405 5.267 12.387 1.00 74.53 H new ATOM 1091 N GLN A 63 4.983 6.574 17.700 1.00 62.21 N ATOM 1092 CA GLN A 63 5.228 6.185 19.129 1.00 73.24 C ATOM 1093 C GLN A 63 5.279 7.367 20.164 1.00 14.24 C ATOM 1094 O GLN A 63 4.307 7.607 20.893 1.00 30.15 O ATOM 1095 CB GLN A 63 6.470 5.220 19.246 1.00 23.55 C ATOM 1096 CG GLN A 63 7.794 5.701 18.596 1.00 61.43 C ATOM 1097 CD GLN A 63 8.946 4.697 18.705 1.00 11.32 C ATOM 1098 OE1 GLN A 63 9.029 3.928 19.652 1.00 24.10 O ATOM 1099 NE2 GLN A 63 9.854 4.703 17.742 1.00 64.01 N ATOM 0 H GLN A 63 4.361 5.918 17.228 1.00 62.21 H new ATOM 0 HA GLN A 63 4.332 5.641 19.428 1.00 73.24 H new ATOM 0 HB2 GLN A 63 6.658 5.036 20.304 1.00 23.55 H new ATOM 0 HB3 GLN A 63 6.200 4.263 18.799 1.00 23.55 H new ATOM 0 HG2 GLN A 63 7.612 5.916 17.543 1.00 61.43 H new ATOM 0 HG3 GLN A 63 8.097 6.637 19.065 1.00 61.43 H new ATOM 0 HE21 GLN A 63 9.765 5.353 16.961 1.00 64.01 H new ATOM 0 HE22 GLN A 63 10.643 4.057 17.781 1.00 64.01 H new ATOM 1108 N LEU A 64 6.408 8.099 20.195 1.00 14.41 N ATOM 1109 CA LEU A 64 6.650 9.234 21.108 1.00 40.24 C ATOM 1110 C LEU A 64 7.789 10.105 20.528 1.00 3.45 C ATOM 1111 O LEU A 64 7.722 11.336 20.541 1.00 74.54 O ATOM 1112 CB LEU A 64 7.007 8.728 22.541 1.00 50.40 C ATOM 1113 CG LEU A 64 7.243 9.824 23.637 1.00 33.33 C ATOM 1114 CD1 LEU A 64 5.984 10.697 23.865 1.00 63.02 C ATOM 1115 CD2 LEU A 64 7.729 9.184 24.958 1.00 54.44 C ATOM 0 H LEU A 64 7.195 7.915 19.573 1.00 14.41 H new ATOM 0 HA LEU A 64 5.744 9.833 21.193 1.00 40.24 H new ATOM 0 HB2 LEU A 64 6.204 8.075 22.881 1.00 50.40 H new ATOM 0 HB3 LEU A 64 7.907 8.117 22.472 1.00 50.40 H new ATOM 0 HG LEU A 64 8.027 10.487 23.272 1.00 33.33 H new ATOM 0 HD11 LEU A 64 6.192 11.443 24.632 1.00 63.02 H new ATOM 0 HD12 LEU A 64 5.716 11.198 22.935 1.00 63.02 H new ATOM 0 HD13 LEU A 64 5.157 10.065 24.188 1.00 63.02 H new ATOM 0 HD21 LEU A 64 7.886 9.963 25.704 1.00 54.44 H new ATOM 0 HD22 LEU A 64 6.978 8.482 25.320 1.00 54.44 H new ATOM 0 HD23 LEU A 64 8.666 8.655 24.783 1.00 54.44 H new ATOM 1127 N SER A 65 8.835 9.424 20.012 1.00 43.42 N ATOM 1128 CA SER A 65 9.959 10.059 19.272 1.00 51.30 C ATOM 1129 C SER A 65 10.733 9.010 18.438 1.00 74.33 C ATOM 1130 O SER A 65 10.735 7.822 18.783 1.00 32.11 O ATOM 1131 CB SER A 65 10.945 10.767 20.237 1.00 42.22 C ATOM 1132 OG SER A 65 11.552 9.850 21.136 1.00 1.41 O ATOM 0 H SER A 65 8.928 8.412 20.095 1.00 43.42 H new ATOM 0 HA SER A 65 9.522 10.803 18.606 1.00 51.30 H new ATOM 0 HB2 SER A 65 11.717 11.275 19.659 1.00 42.22 H new ATOM 0 HB3 SER A 65 10.414 11.533 20.802 1.00 42.22 H new ATOM 0 HG SER A 65 12.168 10.331 21.727 1.00 1.41 H new ATOM 1138 N SER A 66 11.384 9.474 17.344 1.00 23.44 N ATOM 1139 CA SER A 66 12.286 8.645 16.490 1.00 10.43 C ATOM 1140 C SER A 66 12.921 9.508 15.375 1.00 32.12 C ATOM 1141 O SER A 66 14.150 9.584 15.252 1.00 61.22 O ATOM 1142 CB SER A 66 11.551 7.441 15.847 1.00 25.03 C ATOM 1143 OG SER A 66 10.474 7.868 15.036 1.00 42.31 O ATOM 0 H SER A 66 11.301 10.439 17.023 1.00 23.44 H new ATOM 0 HA SER A 66 13.063 8.253 17.146 1.00 10.43 H new ATOM 0 HB2 SER A 66 12.253 6.862 15.247 1.00 25.03 H new ATOM 0 HB3 SER A 66 11.179 6.779 16.629 1.00 25.03 H new ATOM 0 HG SER A 66 9.666 7.952 15.583 1.00 42.31 H new ATOM 1149 N GLU A 67 12.061 10.159 14.571 1.00 55.21 N ATOM 1150 CA GLU A 67 12.489 11.023 13.455 1.00 13.25 C ATOM 1151 C GLU A 67 12.810 12.444 13.973 1.00 33.25 C ATOM 1152 O GLU A 67 11.901 13.233 14.266 1.00 44.20 O ATOM 1153 CB GLU A 67 11.382 11.055 12.365 1.00 11.42 C ATOM 1154 CG GLU A 67 10.894 9.661 11.900 1.00 14.31 C ATOM 1155 CD GLU A 67 12.012 8.758 11.349 1.00 1.31 C ATOM 1156 OE1 GLU A 67 12.513 9.037 10.239 1.00 74.53 O ATOM 1157 OE2 GLU A 67 12.384 7.764 12.016 1.00 42.04 O ATOM 0 H GLU A 67 11.048 10.101 14.677 1.00 55.21 H new ATOM 0 HA GLU A 67 13.398 10.619 13.009 1.00 13.25 H new ATOM 0 HB2 GLU A 67 10.529 11.615 12.749 1.00 11.42 H new ATOM 0 HB3 GLU A 67 11.758 11.601 11.500 1.00 11.42 H new ATOM 0 HG2 GLU A 67 10.414 9.157 12.739 1.00 14.31 H new ATOM 0 HG3 GLU A 67 10.134 9.792 11.130 1.00 14.31 H new ATOM 1164 N LEU A 68 14.112 12.744 14.127 1.00 70.21 N ATOM 1165 CA LEU A 68 14.596 14.021 14.696 1.00 13.43 C ATOM 1166 C LEU A 68 14.462 15.179 13.669 1.00 20.10 C ATOM 1167 O LEU A 68 15.040 15.118 12.577 1.00 15.11 O ATOM 1168 CB LEU A 68 16.074 13.856 15.158 1.00 25.35 C ATOM 1169 CG LEU A 68 16.702 15.049 15.958 1.00 30.10 C ATOM 1170 CD1 LEU A 68 15.987 15.270 17.313 1.00 42.34 C ATOM 1171 CD2 LEU A 68 18.229 14.850 16.151 1.00 43.11 C ATOM 0 H LEU A 68 14.863 12.107 13.860 1.00 70.21 H new ATOM 0 HA LEU A 68 13.980 14.278 15.558 1.00 13.43 H new ATOM 0 HB2 LEU A 68 16.139 12.961 15.777 1.00 25.35 H new ATOM 0 HB3 LEU A 68 16.688 13.678 14.275 1.00 25.35 H new ATOM 0 HG LEU A 68 16.555 15.952 15.366 1.00 30.10 H new ATOM 0 HD11 LEU A 68 16.451 16.105 17.837 1.00 42.34 H new ATOM 0 HD12 LEU A 68 14.934 15.492 17.137 1.00 42.34 H new ATOM 0 HD13 LEU A 68 16.071 14.369 17.920 1.00 42.34 H new ATOM 0 HD21 LEU A 68 18.638 15.692 16.709 1.00 43.11 H new ATOM 0 HD22 LEU A 68 18.409 13.927 16.703 1.00 43.11 H new ATOM 0 HD23 LEU A 68 18.714 14.790 15.177 1.00 43.11 H new ATOM 1183 N GLY A 69 13.674 16.215 14.024 1.00 71.44 N ATOM 1184 CA GLY A 69 13.492 17.404 13.170 1.00 21.11 C ATOM 1185 C GLY A 69 14.675 18.371 13.217 1.00 20.12 C ATOM 1186 O GLY A 69 15.361 18.500 14.238 1.00 43.50 O ATOM 0 H GLY A 69 13.152 16.250 14.900 1.00 71.44 H new ATOM 0 HA2 GLY A 69 13.336 17.082 12.140 1.00 21.11 H new ATOM 0 HA3 GLY A 69 12.589 17.930 13.480 1.00 21.11 H new TER 1190 GLY A 69