USER MOD reduce.3.24.130724 H: found=0, std=0, add=631, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 631 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 55 GLN : amide:sc= 0.32 K(o=0.81,f=-4.5!) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 156:sc= 0.491 (180deg=0) USER MOD Single : A 1 MET CE :methyl 157:sc= 0 (180deg=-0.459) USER MOD Single : A 1 MET N :NH3+ -96:sc= 0.016 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -66:sc= 1.13 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot -127:sc= 0.352 USER MOD Single : A 24 ASN : amide:sc= -1 K(o=-1,f=-6.6!) USER MOD Single : A 26 ASN : amide:sc= 0.311! C(o=0.31!,f=-11!) USER MOD Single : A 28 GLN :FLIP amide:sc= -0.0412 F(o=-1.4!,f=-0.041) USER MOD Single : A 38 MET CE :methyl -156:sc= -0.105 (180deg=-1.65) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 47 ASN : amide:sc= 0.0718 X(o=0.072,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -157:sc= 1.27 (180deg=0.728) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.163 15.168 6.654 1.00 0.00 N ATOM 2 CA MET A 1 -5.539 14.393 5.548 1.00 52.33 C ATOM 3 C MET A 1 -6.583 13.981 4.501 1.00 42.44 C ATOM 4 O MET A 1 -7.744 13.730 4.830 1.00 52.22 O ATOM 5 CB MET A 1 -4.837 13.147 6.108 1.00 24.02 C ATOM 6 CG MET A 1 -4.022 12.378 5.076 1.00 54.42 C ATOM 7 SD MET A 1 -3.220 10.922 5.775 1.00 74.22 S ATOM 8 CE MET A 1 -2.258 10.354 4.371 1.00 61.33 C ATOM 0 H1 MET A 1 -6.054 16.186 6.469 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.174 14.933 6.715 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.697 14.928 7.552 1.00 0.00 H new ATOM 0 HA MET A 1 -4.803 15.033 5.060 1.00 52.33 H new ATOM 0 HB2 MET A 1 -4.180 13.449 6.923 1.00 24.02 H new ATOM 0 HB3 MET A 1 -5.587 12.480 6.533 1.00 24.02 H new ATOM 0 HG2 MET A 1 -4.674 12.072 4.258 1.00 54.42 H new ATOM 0 HG3 MET A 1 -3.265 13.037 4.651 1.00 54.42 H new ATOM 0 HE1 MET A 1 -1.424 9.746 4.723 1.00 61.33 H new ATOM 0 HE2 MET A 1 -2.891 9.757 3.714 1.00 61.33 H new ATOM 0 HE3 MET A 1 -1.874 11.213 3.822 1.00 61.33 H new ATOM 20 N ASP A 2 -6.162 13.925 3.238 1.00 44.53 N ATOM 21 CA ASP A 2 -7.030 13.498 2.137 1.00 62.31 C ATOM 22 C ASP A 2 -6.184 12.909 0.994 1.00 4.33 C ATOM 23 O ASP A 2 -5.164 13.485 0.613 1.00 4.40 O ATOM 24 CB ASP A 2 -7.864 14.689 1.645 1.00 72.13 C ATOM 25 CG ASP A 2 -8.867 14.312 0.568 1.00 22.11 C ATOM 26 OD1 ASP A 2 -9.495 13.239 0.681 1.00 14.45 O ATOM 27 OD2 ASP A 2 -9.052 15.097 -0.381 1.00 62.21 O ATOM 0 H ASP A 2 -5.216 14.172 2.948 1.00 44.53 H new ATOM 0 HA ASP A 2 -7.709 12.722 2.491 1.00 62.31 H new ATOM 0 HB2 ASP A 2 -8.395 15.126 2.490 1.00 72.13 H new ATOM 0 HB3 ASP A 2 -7.195 15.457 1.257 1.00 72.13 H new ATOM 32 N VAL A 3 -6.595 11.758 0.457 1.00 60.35 N ATOM 33 CA VAL A 3 -5.785 11.040 -0.539 1.00 64.22 C ATOM 34 C VAL A 3 -6.516 10.851 -1.882 1.00 52.30 C ATOM 35 O VAL A 3 -7.624 10.312 -1.939 1.00 41.35 O ATOM 36 CB VAL A 3 -5.337 9.654 0.000 1.00 20.55 C ATOM 37 CG1 VAL A 3 -4.466 8.921 -1.020 1.00 11.23 C ATOM 38 CG2 VAL A 3 -4.601 9.807 1.332 1.00 22.41 C ATOM 0 H VAL A 3 -7.477 11.303 0.691 1.00 60.35 H new ATOM 0 HA VAL A 3 -4.911 11.665 -0.720 1.00 64.22 H new ATOM 0 HB VAL A 3 -6.231 9.053 0.168 1.00 20.55 H new ATOM 0 HG11 VAL A 3 -4.167 7.954 -0.615 1.00 11.23 H new ATOM 0 HG12 VAL A 3 -5.031 8.771 -1.940 1.00 11.23 H new ATOM 0 HG13 VAL A 3 -3.577 9.515 -1.233 1.00 11.23 H new ATOM 0 HG21 VAL A 3 -4.295 8.825 1.694 1.00 22.41 H new ATOM 0 HG22 VAL A 3 -3.720 10.433 1.191 1.00 22.41 H new ATOM 0 HG23 VAL A 3 -5.263 10.272 2.062 1.00 22.41 H new ATOM 48 N GLU A 4 -5.878 11.317 -2.953 1.00 73.33 N ATOM 49 CA GLU A 4 -6.354 11.087 -4.324 1.00 61.43 C ATOM 50 C GLU A 4 -5.651 9.858 -4.932 1.00 74.41 C ATOM 51 O GLU A 4 -4.734 9.300 -4.326 1.00 11.13 O ATOM 52 CB GLU A 4 -6.035 12.310 -5.198 1.00 40.25 C ATOM 53 CG GLU A 4 -6.548 13.631 -4.657 1.00 44.44 C ATOM 54 CD GLU A 4 -6.017 14.811 -5.453 1.00 53.52 C ATOM 55 OE1 GLU A 4 -6.598 15.131 -6.510 1.00 43.41 O ATOM 56 OE2 GLU A 4 -4.996 15.402 -5.043 1.00 31.32 O ATOM 0 H GLU A 4 -5.018 11.864 -2.900 1.00 73.33 H new ATOM 0 HA GLU A 4 -7.430 10.918 -4.291 1.00 61.43 H new ATOM 0 HB2 GLU A 4 -4.954 12.379 -5.321 1.00 40.25 H new ATOM 0 HB3 GLU A 4 -6.459 12.151 -6.190 1.00 40.25 H new ATOM 0 HG2 GLU A 4 -7.638 13.636 -4.683 1.00 44.44 H new ATOM 0 HG3 GLU A 4 -6.254 13.735 -3.613 1.00 44.44 H new ATOM 63 N PRO A 5 -6.059 9.403 -6.131 1.00 3.31 N ATOM 64 CA PRO A 5 -5.274 8.423 -6.897 1.00 51.51 C ATOM 65 C PRO A 5 -3.973 9.036 -7.464 1.00 33.15 C ATOM 66 O PRO A 5 -3.885 10.247 -7.682 1.00 21.02 O ATOM 67 CB PRO A 5 -6.219 8.003 -8.040 1.00 54.40 C ATOM 68 CG PRO A 5 -7.567 8.535 -7.664 1.00 64.24 C ATOM 69 CD PRO A 5 -7.314 9.751 -6.817 1.00 24.34 C ATOM 0 HA PRO A 5 -4.951 7.587 -6.276 1.00 51.51 H new ATOM 0 HB2 PRO A 5 -5.888 8.414 -8.994 1.00 54.40 H new ATOM 0 HB3 PRO A 5 -6.242 6.919 -8.151 1.00 54.40 H new ATOM 0 HG2 PRO A 5 -8.146 8.792 -8.551 1.00 64.24 H new ATOM 0 HG3 PRO A 5 -8.141 7.789 -7.114 1.00 64.24 H new ATOM 0 HD2 PRO A 5 -7.210 10.652 -7.421 1.00 24.34 H new ATOM 0 HD3 PRO A 5 -8.126 9.931 -6.112 1.00 24.34 H new ATOM 77 N GLY A 6 -2.970 8.198 -7.704 1.00 74.10 N ATOM 78 CA GLY A 6 -1.689 8.661 -8.242 1.00 43.25 C ATOM 79 C GLY A 6 -0.878 9.546 -7.287 1.00 54.54 C ATOM 80 O GLY A 6 -0.008 10.300 -7.724 1.00 64.31 O ATOM 0 H GLY A 6 -3.016 7.193 -7.535 1.00 74.10 H new ATOM 0 HA2 GLY A 6 -1.088 7.793 -8.511 1.00 43.25 H new ATOM 0 HA3 GLY A 6 -1.875 9.216 -9.161 1.00 43.25 H new ATOM 84 N LYS A 7 -1.142 9.448 -5.984 1.00 15.50 N ATOM 85 CA LYS A 7 -0.454 10.290 -4.990 1.00 23.41 C ATOM 86 C LYS A 7 0.766 9.582 -4.366 1.00 51.25 C ATOM 87 O LYS A 7 0.792 8.361 -4.230 1.00 22.41 O ATOM 88 CB LYS A 7 -1.425 10.695 -3.875 1.00 3.12 C ATOM 89 CG LYS A 7 -2.667 11.464 -4.331 1.00 62.32 C ATOM 90 CD LYS A 7 -2.373 12.898 -4.783 1.00 43.44 C ATOM 91 CE LYS A 7 -1.983 12.988 -6.258 1.00 43.11 C ATOM 92 NZ LYS A 7 -1.905 14.400 -6.721 1.00 33.02 N ATOM 0 H LYS A 7 -1.822 8.799 -5.588 1.00 15.50 H new ATOM 0 HA LYS A 7 -0.097 11.174 -5.518 1.00 23.41 H new ATOM 0 HB2 LYS A 7 -1.748 9.794 -3.353 1.00 3.12 H new ATOM 0 HB3 LYS A 7 -0.886 11.306 -3.152 1.00 3.12 H new ATOM 0 HG2 LYS A 7 -3.137 10.923 -5.152 1.00 62.32 H new ATOM 0 HG3 LYS A 7 -3.387 11.491 -3.513 1.00 62.32 H new ATOM 0 HD2 LYS A 7 -3.253 13.517 -4.607 1.00 43.44 H new ATOM 0 HD3 LYS A 7 -1.568 13.308 -4.174 1.00 43.44 H new ATOM 0 HE2 LYS A 7 -1.020 12.501 -6.410 1.00 43.11 H new ATOM 0 HE3 LYS A 7 -2.712 12.447 -6.861 1.00 43.11 H new ATOM 0 HZ1 LYS A 7 -1.638 14.422 -7.726 1.00 33.02 H new ATOM 0 HZ2 LYS A 7 -2.831 14.857 -6.599 1.00 33.02 H new ATOM 0 HZ3 LYS A 7 -1.191 14.910 -6.162 1.00 33.02 H new ATOM 106 N PHE A 8 1.764 10.375 -3.973 1.00 12.30 N ATOM 107 CA PHE A 8 2.988 9.859 -3.333 1.00 11.12 C ATOM 108 C PHE A 8 2.939 10.037 -1.804 1.00 3.04 C ATOM 109 O PHE A 8 2.841 11.159 -1.307 1.00 34.34 O ATOM 110 CB PHE A 8 4.222 10.595 -3.890 1.00 2.03 C ATOM 111 CG PHE A 8 4.562 10.260 -5.325 1.00 53.31 C ATOM 112 CD1 PHE A 8 3.634 10.435 -6.344 1.00 64.04 C ATOM 113 CD2 PHE A 8 5.818 9.769 -5.652 1.00 13.23 C ATOM 114 CE1 PHE A 8 3.956 10.125 -7.654 1.00 72.53 C ATOM 115 CE2 PHE A 8 6.143 9.458 -6.957 1.00 30.20 C ATOM 116 CZ PHE A 8 5.212 9.635 -7.958 1.00 34.52 C ATOM 0 H PHE A 8 1.753 11.389 -4.086 1.00 12.30 H new ATOM 0 HA PHE A 8 3.057 8.794 -3.556 1.00 11.12 H new ATOM 0 HB2 PHE A 8 4.054 11.669 -3.812 1.00 2.03 H new ATOM 0 HB3 PHE A 8 5.082 10.361 -3.263 1.00 2.03 H new ATOM 0 HD1 PHE A 8 2.651 10.817 -6.112 1.00 64.04 H new ATOM 0 HD2 PHE A 8 6.553 9.628 -4.873 1.00 13.23 H new ATOM 0 HE1 PHE A 8 3.226 10.266 -8.438 1.00 72.53 H new ATOM 0 HE2 PHE A 8 7.125 9.077 -7.193 1.00 30.20 H new ATOM 0 HZ PHE A 8 5.464 9.391 -8.979 1.00 34.52 H new ATOM 126 N TYR A 9 3.015 8.931 -1.057 1.00 23.02 N ATOM 127 CA TYR A 9 3.029 8.985 0.418 1.00 25.12 C ATOM 128 C TYR A 9 3.886 7.858 1.017 1.00 23.24 C ATOM 129 O TYR A 9 4.182 6.866 0.356 1.00 22.54 O ATOM 130 CB TYR A 9 1.601 8.889 0.991 1.00 65.03 C ATOM 131 CG TYR A 9 0.717 10.087 0.687 1.00 33.21 C ATOM 132 CD1 TYR A 9 0.866 11.279 1.388 1.00 22.43 C ATOM 133 CD2 TYR A 9 -0.261 10.025 -0.299 1.00 40.32 C ATOM 134 CE1 TYR A 9 0.065 12.372 1.114 1.00 72.43 C ATOM 135 CE2 TYR A 9 -1.062 11.114 -0.577 1.00 24.05 C ATOM 136 CZ TYR A 9 -0.897 12.285 0.129 1.00 41.20 C ATOM 137 OH TYR A 9 -1.693 13.374 -0.155 1.00 13.32 O ATOM 0 H TYR A 9 3.068 7.988 -1.443 1.00 23.02 H new ATOM 0 HA TYR A 9 3.466 9.945 0.693 1.00 25.12 H new ATOM 0 HB2 TYR A 9 1.124 7.992 0.595 1.00 65.03 H new ATOM 0 HB3 TYR A 9 1.665 8.766 2.072 1.00 65.03 H new ATOM 0 HD1 TYR A 9 1.619 11.352 2.158 1.00 22.43 H new ATOM 0 HD2 TYR A 9 -0.396 9.110 -0.856 1.00 40.32 H new ATOM 0 HE1 TYR A 9 0.192 13.290 1.669 1.00 72.43 H new ATOM 0 HE2 TYR A 9 -1.817 11.048 -1.347 1.00 24.05 H new ATOM 0 HH TYR A 9 -2.317 13.144 -0.875 1.00 13.32 H new ATOM 147 N LYS A 10 4.292 8.024 2.276 1.00 62.21 N ATOM 148 CA LYS A 10 4.981 6.956 3.015 1.00 13.45 C ATOM 149 C LYS A 10 4.010 6.258 3.978 1.00 22.04 C ATOM 150 O LYS A 10 3.416 6.901 4.846 1.00 45.41 O ATOM 151 CB LYS A 10 6.180 7.513 3.801 1.00 23.23 C ATOM 152 CG LYS A 10 6.887 6.465 4.663 1.00 63.52 C ATOM 153 CD LYS A 10 8.051 7.053 5.457 1.00 14.44 C ATOM 154 CE LYS A 10 9.187 7.525 4.557 1.00 23.33 C ATOM 155 NZ LYS A 10 10.328 8.057 5.344 1.00 30.41 N ATOM 0 H LYS A 10 4.158 8.884 2.808 1.00 62.21 H new ATOM 0 HA LYS A 10 5.349 6.231 2.288 1.00 13.45 H new ATOM 0 HB2 LYS A 10 6.898 7.939 3.100 1.00 23.23 H new ATOM 0 HB3 LYS A 10 5.838 8.327 4.440 1.00 23.23 H new ATOM 0 HG2 LYS A 10 6.169 6.021 5.352 1.00 63.52 H new ATOM 0 HG3 LYS A 10 7.255 5.662 4.025 1.00 63.52 H new ATOM 0 HD2 LYS A 10 7.693 7.891 6.055 1.00 14.44 H new ATOM 0 HD3 LYS A 10 8.429 6.303 6.152 1.00 14.44 H new ATOM 0 HE2 LYS A 10 9.528 6.696 3.937 1.00 23.33 H new ATOM 0 HE3 LYS A 10 8.819 8.298 3.882 1.00 23.33 H new ATOM 0 HZ1 LYS A 10 11.081 8.368 4.697 1.00 30.41 H new ATOM 0 HZ2 LYS A 10 10.008 8.864 5.917 1.00 30.41 H new ATOM 0 HZ3 LYS A 10 10.695 7.312 5.970 1.00 30.41 H new ATOM 169 N GLY A 11 3.858 4.948 3.830 1.00 12.34 N ATOM 170 CA GLY A 11 2.929 4.201 4.670 1.00 34.53 C ATOM 171 C GLY A 11 3.591 3.057 5.425 1.00 65.33 C ATOM 172 O GLY A 11 4.724 2.678 5.134 1.00 50.14 O ATOM 0 H GLY A 11 4.360 4.385 3.144 1.00 12.34 H new ATOM 0 HA2 GLY A 11 2.468 4.882 5.386 1.00 34.53 H new ATOM 0 HA3 GLY A 11 2.127 3.802 4.048 1.00 34.53 H new ATOM 176 N VAL A 12 2.877 2.496 6.396 1.00 71.23 N ATOM 177 CA VAL A 12 3.406 1.393 7.204 1.00 1.00 C ATOM 178 C VAL A 12 2.689 0.066 6.893 1.00 11.34 C ATOM 179 O VAL A 12 1.458 0.011 6.819 1.00 3.25 O ATOM 180 CB VAL A 12 3.293 1.706 8.721 1.00 51.33 C ATOM 181 CG1 VAL A 12 1.842 1.962 9.128 1.00 51.12 C ATOM 182 CG2 VAL A 12 3.909 0.581 9.553 1.00 4.40 C ATOM 0 H VAL A 12 1.931 2.784 6.645 1.00 71.23 H new ATOM 0 HA VAL A 12 4.459 1.285 6.942 1.00 1.00 H new ATOM 0 HB VAL A 12 3.855 2.619 8.918 1.00 51.33 H new ATOM 0 HG11 VAL A 12 1.796 2.178 10.195 1.00 51.12 H new ATOM 0 HG12 VAL A 12 1.452 2.812 8.569 1.00 51.12 H new ATOM 0 HG13 VAL A 12 1.242 1.078 8.911 1.00 51.12 H new ATOM 0 HG21 VAL A 12 3.819 0.821 10.612 1.00 4.40 H new ATOM 0 HG22 VAL A 12 3.386 -0.353 9.347 1.00 4.40 H new ATOM 0 HG23 VAL A 12 4.962 0.472 9.294 1.00 4.40 H new ATOM 192 N VAL A 13 3.470 -0.999 6.698 1.00 11.24 N ATOM 193 CA VAL A 13 2.913 -2.334 6.446 1.00 24.33 C ATOM 194 C VAL A 13 2.259 -2.916 7.711 1.00 42.45 C ATOM 195 O VAL A 13 2.880 -2.979 8.775 1.00 54.43 O ATOM 196 CB VAL A 13 4.005 -3.312 5.942 1.00 50.54 C ATOM 197 CG1 VAL A 13 3.410 -4.693 5.671 1.00 45.22 C ATOM 198 CG2 VAL A 13 4.690 -2.759 4.691 1.00 71.32 C ATOM 0 H VAL A 13 4.489 -0.965 6.709 1.00 11.24 H new ATOM 0 HA VAL A 13 2.152 -2.219 5.674 1.00 24.33 H new ATOM 0 HB VAL A 13 4.758 -3.415 6.723 1.00 50.54 H new ATOM 0 HG11 VAL A 13 4.193 -5.364 5.318 1.00 45.22 H new ATOM 0 HG12 VAL A 13 2.979 -5.090 6.590 1.00 45.22 H new ATOM 0 HG13 VAL A 13 2.633 -4.612 4.911 1.00 45.22 H new ATOM 0 HG21 VAL A 13 5.453 -3.461 4.354 1.00 71.32 H new ATOM 0 HG22 VAL A 13 3.950 -2.620 3.902 1.00 71.32 H new ATOM 0 HG23 VAL A 13 5.156 -1.801 4.924 1.00 71.32 H new ATOM 208 N THR A 14 1.003 -3.346 7.587 1.00 74.40 N ATOM 209 CA THR A 14 0.237 -3.869 8.728 1.00 4.13 C ATOM 210 C THR A 14 0.133 -5.400 8.701 1.00 3.35 C ATOM 211 O THR A 14 0.641 -6.081 9.592 1.00 43.05 O ATOM 212 CB THR A 14 -1.190 -3.274 8.766 1.00 65.21 C ATOM 213 OG1 THR A 14 -1.908 -3.624 7.570 1.00 31.23 O ATOM 214 CG2 THR A 14 -1.139 -1.759 8.902 1.00 22.12 C ATOM 0 H THR A 14 0.489 -3.344 6.706 1.00 74.40 H new ATOM 0 HA THR A 14 0.783 -3.570 9.623 1.00 4.13 H new ATOM 0 HB THR A 14 -1.706 -3.689 9.632 1.00 65.21 H new ATOM 0 HG1 THR A 14 -1.491 -3.187 6.798 1.00 31.23 H new ATOM 0 HG21 THR A 14 -2.154 -1.362 8.927 1.00 22.12 H new ATOM 0 HG22 THR A 14 -0.623 -1.494 9.825 1.00 22.12 H new ATOM 0 HG23 THR A 14 -0.604 -1.335 8.052 1.00 22.12 H new ATOM 222 N ARG A 15 -0.534 -5.937 7.684 1.00 42.42 N ATOM 223 CA ARG A 15 -0.711 -7.390 7.548 1.00 41.24 C ATOM 224 C ARG A 15 -0.256 -7.892 6.170 1.00 74.44 C ATOM 225 O ARG A 15 -0.526 -7.265 5.139 1.00 1.41 O ATOM 226 CB ARG A 15 -2.178 -7.782 7.804 1.00 32.25 C ATOM 227 CG ARG A 15 -3.183 -6.968 6.998 1.00 60.34 C ATOM 228 CD ARG A 15 -4.618 -7.433 7.229 1.00 4.40 C ATOM 229 NE ARG A 15 -4.904 -8.706 6.571 1.00 11.32 N ATOM 230 CZ ARG A 15 -6.074 -9.293 6.577 1.00 2.12 C ATOM 231 NH1 ARG A 15 -7.074 -8.781 7.222 1.00 30.41 N ATOM 232 NH2 ARG A 15 -6.240 -10.404 5.941 1.00 42.44 N ATOM 0 H ARG A 15 -0.964 -5.391 6.937 1.00 42.42 H new ATOM 0 HA ARG A 15 -0.081 -7.868 8.298 1.00 41.24 H new ATOM 0 HB2 ARG A 15 -2.308 -8.838 7.569 1.00 32.25 H new ATOM 0 HB3 ARG A 15 -2.396 -7.663 8.865 1.00 32.25 H new ATOM 0 HG2 ARG A 15 -3.096 -5.916 7.268 1.00 60.34 H new ATOM 0 HG3 ARG A 15 -2.944 -7.046 5.937 1.00 60.34 H new ATOM 0 HD2 ARG A 15 -4.797 -7.532 8.300 1.00 4.40 H new ATOM 0 HD3 ARG A 15 -5.307 -6.673 6.860 1.00 4.40 H new ATOM 0 HE ARG A 15 -4.142 -9.168 6.074 1.00 11.32 H new ATOM 0 HH11 ARG A 15 -6.956 -7.908 7.735 1.00 30.41 H new ATOM 0 HH12 ARG A 15 -7.979 -9.251 7.216 1.00 30.41 H new ATOM 0 HH21 ARG A 15 -5.460 -10.823 5.435 1.00 42.44 H new ATOM 0 HH22 ARG A 15 -7.151 -10.863 5.945 1.00 42.44 H new ATOM 246 N ILE A 16 0.430 -9.032 6.166 1.00 11.41 N ATOM 247 CA ILE A 16 0.972 -9.623 4.939 1.00 13.44 C ATOM 248 C ILE A 16 0.038 -10.702 4.377 1.00 44.44 C ATOM 249 O ILE A 16 -0.255 -11.698 5.044 1.00 54.01 O ATOM 250 CB ILE A 16 2.372 -10.249 5.189 1.00 13.31 C ATOM 251 CG1 ILE A 16 3.362 -9.183 5.692 1.00 73.52 C ATOM 252 CG2 ILE A 16 2.902 -10.922 3.920 1.00 72.12 C ATOM 253 CD1 ILE A 16 3.593 -8.052 4.712 1.00 53.52 C ATOM 0 H ILE A 16 0.627 -9.573 7.008 1.00 11.41 H new ATOM 0 HA ILE A 16 1.061 -8.815 4.213 1.00 13.44 H new ATOM 0 HB ILE A 16 2.269 -11.012 5.960 1.00 13.31 H new ATOM 0 HG12 ILE A 16 2.990 -8.769 6.629 1.00 73.52 H new ATOM 0 HG13 ILE A 16 4.316 -9.662 5.911 1.00 73.52 H new ATOM 0 HG21 ILE A 16 3.883 -11.353 4.119 1.00 72.12 H new ATOM 0 HG22 ILE A 16 2.215 -11.710 3.612 1.00 72.12 H new ATOM 0 HG23 ILE A 16 2.986 -10.182 3.124 1.00 72.12 H new ATOM 0 HD11 ILE A 16 4.302 -7.341 5.137 1.00 53.52 H new ATOM 0 HD12 ILE A 16 3.995 -8.453 3.782 1.00 53.52 H new ATOM 0 HD13 ILE A 16 2.649 -7.546 4.511 1.00 53.52 H new ATOM 265 N GLU A 17 -0.423 -10.498 3.148 1.00 45.12 N ATOM 266 CA GLU A 17 -1.271 -11.474 2.457 1.00 51.23 C ATOM 267 C GLU A 17 -0.484 -12.179 1.344 1.00 42.25 C ATOM 268 O GLU A 17 0.681 -11.867 1.092 1.00 13.42 O ATOM 269 CB GLU A 17 -2.493 -10.770 1.845 1.00 43.01 C ATOM 270 CG GLU A 17 -3.299 -9.934 2.833 1.00 21.05 C ATOM 271 CD GLU A 17 -3.952 -10.766 3.925 1.00 23.45 C ATOM 272 OE1 GLU A 17 -4.933 -11.482 3.631 1.00 42.31 O ATOM 273 OE2 GLU A 17 -3.506 -10.698 5.087 1.00 72.24 O ATOM 0 H GLU A 17 -0.224 -9.659 2.602 1.00 45.12 H new ATOM 0 HA GLU A 17 -1.602 -12.215 3.185 1.00 51.23 H new ATOM 0 HB2 GLU A 17 -2.157 -10.126 1.032 1.00 43.01 H new ATOM 0 HB3 GLU A 17 -3.148 -11.522 1.405 1.00 43.01 H new ATOM 0 HG2 GLU A 17 -2.644 -9.193 3.292 1.00 21.05 H new ATOM 0 HG3 GLU A 17 -4.070 -9.386 2.292 1.00 21.05 H new ATOM 280 N LYS A 18 -1.123 -13.135 0.683 1.00 3.32 N ATOM 281 CA LYS A 18 -0.531 -13.783 -0.492 1.00 74.02 C ATOM 282 C LYS A 18 -0.876 -13.005 -1.774 1.00 51.24 C ATOM 283 O LYS A 18 -0.181 -13.106 -2.786 1.00 60.01 O ATOM 284 CB LYS A 18 -1.009 -15.239 -0.591 1.00 12.45 C ATOM 285 CG LYS A 18 -0.579 -16.095 0.602 1.00 33.54 C ATOM 286 CD LYS A 18 -1.040 -17.546 0.478 1.00 12.41 C ATOM 287 CE LYS A 18 -2.561 -17.673 0.516 1.00 21.22 C ATOM 288 NZ LYS A 18 -2.998 -19.092 0.404 1.00 13.54 N ATOM 0 H LYS A 18 -2.048 -13.482 0.935 1.00 3.32 H new ATOM 0 HA LYS A 18 0.553 -13.782 -0.381 1.00 74.02 H new ATOM 0 HB2 LYS A 18 -2.096 -15.254 -0.668 1.00 12.45 H new ATOM 0 HB3 LYS A 18 -0.619 -15.682 -1.507 1.00 12.45 H new ATOM 0 HG2 LYS A 18 0.507 -16.069 0.691 1.00 33.54 H new ATOM 0 HG3 LYS A 18 -0.984 -15.665 1.518 1.00 33.54 H new ATOM 0 HD2 LYS A 18 -0.665 -17.966 -0.455 1.00 12.41 H new ATOM 0 HD3 LYS A 18 -0.608 -18.133 1.288 1.00 12.41 H new ATOM 0 HE2 LYS A 18 -2.939 -17.248 1.446 1.00 21.22 H new ATOM 0 HE3 LYS A 18 -2.995 -17.093 -0.299 1.00 21.22 H new ATOM 0 HZ1 LYS A 18 -4.037 -19.139 0.433 1.00 13.54 H new ATOM 0 HZ2 LYS A 18 -2.659 -19.490 -0.495 1.00 13.54 H new ATOM 0 HZ3 LYS A 18 -2.604 -19.640 1.195 1.00 13.54 H new ATOM 302 N TYR A 19 -1.950 -12.218 -1.713 1.00 31.14 N ATOM 303 CA TYR A 19 -2.377 -11.375 -2.843 1.00 64.45 C ATOM 304 C TYR A 19 -1.894 -9.919 -2.691 1.00 2.12 C ATOM 305 O TYR A 19 -2.233 -9.059 -3.504 1.00 13.23 O ATOM 306 CB TYR A 19 -3.910 -11.406 -2.987 1.00 41.42 C ATOM 307 CG TYR A 19 -4.666 -11.012 -1.726 1.00 33.12 C ATOM 308 CD1 TYR A 19 -4.909 -9.677 -1.418 1.00 31.04 C ATOM 309 CD2 TYR A 19 -5.135 -11.979 -0.846 1.00 34.14 C ATOM 310 CE1 TYR A 19 -5.594 -9.320 -0.270 1.00 24.42 C ATOM 311 CE2 TYR A 19 -5.818 -11.631 0.303 1.00 21.05 C ATOM 312 CZ TYR A 19 -6.045 -10.302 0.588 1.00 65.30 C ATOM 313 OH TYR A 19 -6.717 -9.957 1.739 1.00 41.51 O ATOM 0 H TYR A 19 -2.547 -12.143 -0.890 1.00 31.14 H new ATOM 0 HA TYR A 19 -1.920 -11.785 -3.743 1.00 64.45 H new ATOM 0 HB2 TYR A 19 -4.201 -10.735 -3.795 1.00 41.42 H new ATOM 0 HB3 TYR A 19 -4.215 -12.410 -3.281 1.00 41.42 H new ATOM 0 HD1 TYR A 19 -4.557 -8.906 -2.087 1.00 31.04 H new ATOM 0 HD2 TYR A 19 -4.962 -13.023 -1.064 1.00 34.14 H new ATOM 0 HE1 TYR A 19 -5.775 -8.279 -0.047 1.00 24.42 H new ATOM 0 HE2 TYR A 19 -6.173 -12.398 0.976 1.00 21.05 H new ATOM 0 HH TYR A 19 -6.287 -10.384 2.509 1.00 41.51 H new ATOM 323 N GLY A 20 -1.107 -9.646 -1.649 1.00 31.33 N ATOM 324 CA GLY A 20 -0.606 -8.291 -1.414 1.00 53.41 C ATOM 325 C GLY A 20 -0.311 -8.008 0.058 1.00 65.31 C ATOM 326 O GLY A 20 -0.295 -8.920 0.880 1.00 44.52 O ATOM 0 H GLY A 20 -0.805 -10.336 -0.961 1.00 31.33 H new ATOM 0 HA2 GLY A 20 0.303 -8.140 -1.996 1.00 53.41 H new ATOM 0 HA3 GLY A 20 -1.340 -7.571 -1.776 1.00 53.41 H new ATOM 330 N ALA A 21 -0.060 -6.746 0.393 1.00 3.33 N ATOM 331 CA ALA A 21 0.166 -6.341 1.791 1.00 61.33 C ATOM 332 C ALA A 21 -0.604 -5.054 2.127 1.00 72.35 C ATOM 333 O ALA A 21 -0.468 -4.048 1.436 1.00 60.30 O ATOM 334 CB ALA A 21 1.660 -6.153 2.051 1.00 21.15 C ATOM 0 H ALA A 21 -0.006 -5.981 -0.279 1.00 3.33 H new ATOM 0 HA ALA A 21 -0.208 -7.134 2.439 1.00 61.33 H new ATOM 0 HB1 ALA A 21 1.814 -5.854 3.088 1.00 21.15 H new ATOM 0 HB2 ALA A 21 2.183 -7.091 1.862 1.00 21.15 H new ATOM 0 HB3 ALA A 21 2.050 -5.380 1.389 1.00 21.15 H new ATOM 340 N PHE A 22 -1.404 -5.083 3.192 1.00 51.43 N ATOM 341 CA PHE A 22 -2.204 -3.910 3.578 1.00 34.03 C ATOM 342 C PHE A 22 -1.340 -2.843 4.265 1.00 13.11 C ATOM 343 O PHE A 22 -0.668 -3.111 5.261 1.00 2.53 O ATOM 344 CB PHE A 22 -3.367 -4.321 4.492 1.00 63.51 C ATOM 345 CG PHE A 22 -4.458 -5.081 3.778 1.00 13.34 C ATOM 346 CD1 PHE A 22 -5.490 -4.405 3.142 1.00 74.02 C ATOM 347 CD2 PHE A 22 -4.457 -6.470 3.743 1.00 44.42 C ATOM 348 CE1 PHE A 22 -6.494 -5.095 2.489 1.00 45.12 C ATOM 349 CE2 PHE A 22 -5.460 -7.164 3.091 1.00 45.22 C ATOM 350 CZ PHE A 22 -6.479 -6.476 2.464 1.00 13.21 C ATOM 0 H PHE A 22 -1.519 -5.894 3.800 1.00 51.43 H new ATOM 0 HA PHE A 22 -2.612 -3.477 2.665 1.00 34.03 H new ATOM 0 HB2 PHE A 22 -2.980 -4.936 5.305 1.00 63.51 H new ATOM 0 HB3 PHE A 22 -3.795 -3.427 4.945 1.00 63.51 H new ATOM 0 HD1 PHE A 22 -5.509 -3.325 3.158 1.00 74.02 H new ATOM 0 HD2 PHE A 22 -3.663 -7.015 4.231 1.00 44.42 H new ATOM 0 HE1 PHE A 22 -7.290 -4.555 1.998 1.00 45.12 H new ATOM 0 HE2 PHE A 22 -5.446 -8.244 3.073 1.00 45.22 H new ATOM 0 HZ PHE A 22 -7.263 -7.016 1.955 1.00 13.21 H new ATOM 360 N ILE A 23 -1.371 -1.628 3.723 1.00 42.45 N ATOM 361 CA ILE A 23 -0.545 -0.524 4.227 1.00 63.54 C ATOM 362 C ILE A 23 -1.405 0.673 4.673 1.00 53.33 C ATOM 363 O ILE A 23 -2.375 1.037 4.004 1.00 72.13 O ATOM 364 CB ILE A 23 0.463 -0.055 3.142 1.00 53.32 C ATOM 365 CG1 ILE A 23 1.448 -1.186 2.797 1.00 60.52 C ATOM 366 CG2 ILE A 23 1.213 1.200 3.586 1.00 12.24 C ATOM 367 CD1 ILE A 23 2.469 -0.807 1.742 1.00 10.20 C ATOM 0 H ILE A 23 -1.962 -1.378 2.930 1.00 42.45 H new ATOM 0 HA ILE A 23 -0.001 -0.901 5.093 1.00 63.54 H new ATOM 0 HB ILE A 23 -0.102 0.198 2.245 1.00 53.32 H new ATOM 0 HG12 ILE A 23 1.972 -1.489 3.704 1.00 60.52 H new ATOM 0 HG13 ILE A 23 0.885 -2.052 2.450 1.00 60.52 H new ATOM 0 HG21 ILE A 23 1.910 1.503 2.805 1.00 12.24 H new ATOM 0 HG22 ILE A 23 0.500 2.005 3.768 1.00 12.24 H new ATOM 0 HG23 ILE A 23 1.764 0.989 4.503 1.00 12.24 H new ATOM 0 HD11 ILE A 23 3.128 -1.654 1.552 1.00 10.20 H new ATOM 0 HD12 ILE A 23 1.955 -0.533 0.820 1.00 10.20 H new ATOM 0 HD13 ILE A 23 3.059 0.039 2.094 1.00 10.20 H new ATOM 379 N ASN A 24 -1.046 1.277 5.808 1.00 20.25 N ATOM 380 CA ASN A 24 -1.731 2.482 6.294 1.00 71.33 C ATOM 381 C ASN A 24 -0.928 3.749 5.965 1.00 70.01 C ATOM 382 O ASN A 24 0.248 3.854 6.317 1.00 51.41 O ATOM 383 CB ASN A 24 -1.942 2.430 7.813 1.00 74.32 C ATOM 384 CG ASN A 24 -2.799 1.267 8.276 1.00 54.23 C ATOM 385 OD1 ASN A 24 -3.640 0.755 7.549 1.00 13.01 O ATOM 386 ND2 ASN A 24 -2.599 0.853 9.509 1.00 35.21 N ATOM 0 H ASN A 24 -0.287 0.954 6.408 1.00 20.25 H new ATOM 0 HA ASN A 24 -2.697 2.515 5.790 1.00 71.33 H new ATOM 0 HB2 ASN A 24 -0.970 2.370 8.303 1.00 74.32 H new ATOM 0 HB3 ASN A 24 -2.405 3.362 8.138 1.00 74.32 H new ATOM 0 HD21 ASN A 24 -3.153 0.084 9.885 1.00 35.21 H new ATOM 0 HD22 ASN A 24 -1.890 1.302 10.089 1.00 35.21 H new ATOM 393 N LEU A 25 -1.566 4.700 5.289 1.00 42.54 N ATOM 394 CA LEU A 25 -1.003 6.051 5.139 1.00 11.21 C ATOM 395 C LEU A 25 -1.466 6.924 6.315 1.00 25.20 C ATOM 396 O LEU A 25 -0.950 8.018 6.558 1.00 2.14 O ATOM 397 CB LEU A 25 -1.451 6.686 3.813 1.00 32.30 C ATOM 398 CG LEU A 25 -1.113 5.888 2.543 1.00 41.23 C ATOM 399 CD1 LEU A 25 -1.593 6.627 1.297 1.00 51.25 C ATOM 400 CD2 LEU A 25 0.386 5.601 2.459 1.00 54.01 C ATOM 0 H LEU A 25 -2.470 4.568 4.836 1.00 42.54 H new ATOM 0 HA LEU A 25 0.085 5.980 5.134 1.00 11.21 H new ATOM 0 HB2 LEU A 25 -2.530 6.835 3.849 1.00 32.30 H new ATOM 0 HB3 LEU A 25 -0.995 7.673 3.732 1.00 32.30 H new ATOM 0 HG LEU A 25 -1.636 4.933 2.596 1.00 41.23 H new ATOM 0 HD11 LEU A 25 -1.344 6.045 0.410 1.00 51.25 H new ATOM 0 HD12 LEU A 25 -2.673 6.765 1.349 1.00 51.25 H new ATOM 0 HD13 LEU A 25 -1.106 7.600 1.241 1.00 51.25 H new ATOM 0 HD21 LEU A 25 0.598 5.035 1.552 1.00 54.01 H new ATOM 0 HD22 LEU A 25 0.936 6.542 2.437 1.00 54.01 H new ATOM 0 HD23 LEU A 25 0.695 5.021 3.329 1.00 54.01 H new ATOM 412 N ASN A 26 -2.463 6.405 7.026 1.00 22.54 N ATOM 413 CA ASN A 26 -3.075 7.070 8.173 1.00 54.10 C ATOM 414 C ASN A 26 -3.996 6.065 8.887 1.00 0.24 C ATOM 415 O ASN A 26 -4.390 5.062 8.293 1.00 73.45 O ATOM 416 CB ASN A 26 -3.873 8.295 7.688 1.00 23.22 C ATOM 417 CG ASN A 26 -4.296 9.240 8.801 1.00 24.33 C ATOM 418 OD1 ASN A 26 -4.519 8.839 9.935 1.00 74.25 O ATOM 419 ND2 ASN A 26 -4.408 10.508 8.480 1.00 11.30 N ATOM 0 H ASN A 26 -2.875 5.496 6.818 1.00 22.54 H new ATOM 0 HA ASN A 26 -2.311 7.413 8.870 1.00 54.10 H new ATOM 0 HB2 ASN A 26 -3.269 8.847 6.967 1.00 23.22 H new ATOM 0 HB3 ASN A 26 -4.763 7.950 7.161 1.00 23.22 H new ATOM 0 HD21 ASN A 26 -4.688 11.190 9.185 1.00 11.30 H new ATOM 0 HD22 ASN A 26 -4.215 10.811 7.525 1.00 11.30 H new ATOM 426 N GLU A 27 -4.333 6.327 10.149 1.00 44.25 N ATOM 427 CA GLU A 27 -5.249 5.462 10.909 1.00 23.51 C ATOM 428 C GLU A 27 -6.521 5.129 10.104 1.00 42.11 C ATOM 429 O GLU A 27 -7.027 4.007 10.149 1.00 4.10 O ATOM 430 CB GLU A 27 -5.646 6.140 12.229 1.00 0.30 C ATOM 431 CG GLU A 27 -6.647 5.338 13.058 1.00 23.14 C ATOM 432 CD GLU A 27 -7.198 6.117 14.241 1.00 41.52 C ATOM 433 OE1 GLU A 27 -7.904 7.121 14.014 1.00 33.43 O ATOM 434 OE2 GLU A 27 -6.949 5.719 15.398 1.00 61.12 O ATOM 0 H GLU A 27 -3.987 7.132 10.672 1.00 44.25 H new ATOM 0 HA GLU A 27 -4.721 4.531 11.114 1.00 23.51 H new ATOM 0 HB2 GLU A 27 -4.748 6.309 12.824 1.00 0.30 H new ATOM 0 HB3 GLU A 27 -6.072 7.119 12.010 1.00 0.30 H new ATOM 0 HG2 GLU A 27 -7.473 5.027 12.419 1.00 23.14 H new ATOM 0 HG3 GLU A 27 -6.165 4.430 13.421 1.00 23.14 H new ATOM 441 N GLN A 28 -7.033 6.120 9.371 1.00 4.24 N ATOM 442 CA GLN A 28 -8.251 5.949 8.566 1.00 22.20 C ATOM 443 C GLN A 28 -7.938 5.600 7.097 1.00 30.05 C ATOM 444 O GLN A 28 -8.754 4.980 6.414 1.00 11.40 O ATOM 445 CB GLN A 28 -9.102 7.226 8.633 1.00 43.13 C ATOM 446 CG GLN A 28 -9.553 7.588 10.044 1.00 55.25 C ATOM 447 CD GLN A 28 -10.437 6.522 10.670 1.00 53.33 C ATOM 448 OE1 GLN A 28 -9.841 5.570 11.360 1.00 2.33 O flip ATOM 449 NE2 GLN A 28 -11.655 6.553 10.534 1.00 42.32 N flip ATOM 0 H GLN A 28 -6.624 7.053 9.316 1.00 4.24 H new ATOM 0 HA GLN A 28 -8.806 5.110 8.986 1.00 22.20 H new ATOM 0 HB2 GLN A 28 -8.529 8.056 8.220 1.00 43.13 H new ATOM 0 HB3 GLN A 28 -9.981 7.100 8.001 1.00 43.13 H new ATOM 0 HG2 GLN A 28 -8.676 7.742 10.673 1.00 55.25 H new ATOM 0 HG3 GLN A 28 -10.095 8.533 10.016 1.00 55.25 H new ATOM 0 HE21 GLN A 28 -12.089 7.302 9.994 1.00 42.32 H new ATOM 0 HE22 GLN A 28 -12.234 5.830 10.960 1.00 42.32 H new ATOM 458 N VAL A 29 -6.758 5.998 6.617 1.00 32.13 N ATOM 459 CA VAL A 29 -6.362 5.738 5.224 1.00 74.02 C ATOM 460 C VAL A 29 -5.586 4.415 5.099 1.00 75.33 C ATOM 461 O VAL A 29 -4.397 4.338 5.428 1.00 52.42 O ATOM 462 CB VAL A 29 -5.504 6.894 4.649 1.00 3.23 C ATOM 463 CG1 VAL A 29 -5.128 6.619 3.191 1.00 0.22 C ATOM 464 CG2 VAL A 29 -6.237 8.231 4.778 1.00 31.40 C ATOM 0 H VAL A 29 -6.060 6.500 7.166 1.00 32.13 H new ATOM 0 HA VAL A 29 -7.283 5.665 4.646 1.00 74.02 H new ATOM 0 HB VAL A 29 -4.584 6.954 5.230 1.00 3.23 H new ATOM 0 HG11 VAL A 29 -4.526 7.443 2.809 1.00 0.22 H new ATOM 0 HG12 VAL A 29 -4.555 5.694 3.131 1.00 0.22 H new ATOM 0 HG13 VAL A 29 -6.034 6.524 2.593 1.00 0.22 H new ATOM 0 HG21 VAL A 29 -5.616 9.027 4.368 1.00 31.40 H new ATOM 0 HG22 VAL A 29 -7.177 8.185 4.229 1.00 31.40 H new ATOM 0 HG23 VAL A 29 -6.441 8.434 5.829 1.00 31.40 H new ATOM 474 N ARG A 30 -6.270 3.384 4.611 1.00 33.42 N ATOM 475 CA ARG A 30 -5.699 2.038 4.500 1.00 31.20 C ATOM 476 C ARG A 30 -5.922 1.455 3.095 1.00 24.30 C ATOM 477 O ARG A 30 -7.001 1.600 2.522 1.00 1.41 O ATOM 478 CB ARG A 30 -6.344 1.133 5.558 1.00 74.54 C ATOM 479 CG ARG A 30 -5.849 -0.312 5.554 1.00 41.40 C ATOM 480 CD ARG A 30 -6.471 -1.109 6.697 1.00 63.21 C ATOM 481 NE ARG A 30 -6.168 -0.512 7.997 1.00 71.13 N ATOM 482 CZ ARG A 30 -7.020 -0.412 8.984 1.00 13.21 C ATOM 483 NH1 ARG A 30 -8.241 -0.826 8.851 1.00 54.43 N ATOM 484 NH2 ARG A 30 -6.651 0.115 10.103 1.00 55.32 N ATOM 0 H ARG A 30 -7.233 3.454 4.281 1.00 33.42 H new ATOM 0 HA ARG A 30 -4.623 2.096 4.667 1.00 31.20 H new ATOM 0 HB2 ARG A 30 -6.161 1.562 6.543 1.00 74.54 H new ATOM 0 HB3 ARG A 30 -7.423 1.133 5.406 1.00 74.54 H new ATOM 0 HG2 ARG A 30 -6.097 -0.782 4.602 1.00 41.40 H new ATOM 0 HG3 ARG A 30 -4.763 -0.328 5.644 1.00 41.40 H new ATOM 0 HD2 ARG A 30 -7.551 -1.158 6.561 1.00 63.21 H new ATOM 0 HD3 ARG A 30 -6.100 -2.134 6.671 1.00 63.21 H new ATOM 0 HE ARG A 30 -5.227 -0.148 8.144 1.00 71.13 H new ATOM 0 HH11 ARG A 30 -8.547 -1.236 7.969 1.00 54.43 H new ATOM 0 HH12 ARG A 30 -8.896 -0.742 9.629 1.00 54.43 H new ATOM 0 HH21 ARG A 30 -5.695 0.453 10.217 1.00 55.32 H new ATOM 0 HH22 ARG A 30 -7.315 0.193 10.873 1.00 55.32 H new ATOM 498 N GLY A 31 -4.901 0.801 2.547 1.00 71.23 N ATOM 499 CA GLY A 31 -5.021 0.200 1.220 1.00 64.33 C ATOM 500 C GLY A 31 -4.243 -1.106 1.075 1.00 33.52 C ATOM 501 O GLY A 31 -3.815 -1.699 2.065 1.00 12.40 O ATOM 0 H GLY A 31 -3.993 0.674 2.993 1.00 71.23 H new ATOM 0 HA2 GLY A 31 -6.074 0.013 1.007 1.00 64.33 H new ATOM 0 HA3 GLY A 31 -4.666 0.911 0.474 1.00 64.33 H new ATOM 505 N LEU A 32 -4.046 -1.543 -0.169 1.00 62.14 N ATOM 506 CA LEU A 32 -3.380 -2.819 -0.463 1.00 43.31 C ATOM 507 C LEU A 32 -2.218 -2.633 -1.454 1.00 4.42 C ATOM 508 O LEU A 32 -2.374 -2.020 -2.509 1.00 52.22 O ATOM 509 CB LEU A 32 -4.400 -3.812 -1.037 1.00 52.50 C ATOM 510 CG LEU A 32 -3.860 -5.218 -1.362 1.00 41.40 C ATOM 511 CD1 LEU A 32 -3.415 -5.932 -0.089 1.00 34.21 C ATOM 512 CD2 LEU A 32 -4.909 -6.042 -2.110 1.00 71.15 C ATOM 0 H LEU A 32 -4.340 -1.028 -0.999 1.00 62.14 H new ATOM 0 HA LEU A 32 -2.967 -3.209 0.468 1.00 43.31 H new ATOM 0 HB2 LEU A 32 -5.219 -3.914 -0.325 1.00 52.50 H new ATOM 0 HB3 LEU A 32 -4.820 -3.386 -1.948 1.00 52.50 H new ATOM 0 HG LEU A 32 -2.991 -5.108 -2.011 1.00 41.40 H new ATOM 0 HD11 LEU A 32 -3.037 -6.923 -0.341 1.00 34.21 H new ATOM 0 HD12 LEU A 32 -2.627 -5.355 0.395 1.00 34.21 H new ATOM 0 HD13 LEU A 32 -4.263 -6.029 0.589 1.00 34.21 H new ATOM 0 HD21 LEU A 32 -4.506 -7.031 -2.329 1.00 71.15 H new ATOM 0 HD22 LEU A 32 -5.801 -6.142 -1.492 1.00 71.15 H new ATOM 0 HD23 LEU A 32 -5.168 -5.541 -3.043 1.00 71.15 H new ATOM 524 N LEU A 33 -1.060 -3.176 -1.105 1.00 71.41 N ATOM 525 CA LEU A 33 0.119 -3.150 -1.976 1.00 34.30 C ATOM 526 C LEU A 33 0.187 -4.435 -2.813 1.00 73.31 C ATOM 527 O LEU A 33 0.341 -5.529 -2.270 1.00 21.15 O ATOM 528 CB LEU A 33 1.386 -2.998 -1.119 1.00 2.32 C ATOM 529 CG LEU A 33 2.726 -3.036 -1.874 1.00 35.33 C ATOM 530 CD1 LEU A 33 2.793 -1.935 -2.932 1.00 11.01 C ATOM 531 CD2 LEU A 33 3.892 -2.915 -0.894 1.00 15.42 C ATOM 0 H LEU A 33 -0.906 -3.647 -0.214 1.00 71.41 H new ATOM 0 HA LEU A 33 0.047 -2.302 -2.657 1.00 34.30 H new ATOM 0 HB2 LEU A 33 1.323 -2.053 -0.580 1.00 2.32 H new ATOM 0 HB3 LEU A 33 1.391 -3.792 -0.372 1.00 2.32 H new ATOM 0 HG LEU A 33 2.800 -3.995 -2.386 1.00 35.33 H new ATOM 0 HD11 LEU A 33 3.751 -1.986 -3.450 1.00 11.01 H new ATOM 0 HD12 LEU A 33 1.985 -2.071 -3.650 1.00 11.01 H new ATOM 0 HD13 LEU A 33 2.692 -0.962 -2.451 1.00 11.01 H new ATOM 0 HD21 LEU A 33 4.833 -2.943 -1.443 1.00 15.42 H new ATOM 0 HD22 LEU A 33 3.816 -1.972 -0.353 1.00 15.42 H new ATOM 0 HD23 LEU A 33 3.860 -3.743 -0.186 1.00 15.42 H new ATOM 543 N ARG A 34 0.068 -4.295 -4.132 1.00 5.22 N ATOM 544 CA ARG A 34 0.001 -5.452 -5.032 1.00 14.50 C ATOM 545 C ARG A 34 1.404 -5.987 -5.383 1.00 71.20 C ATOM 546 O ARG A 34 2.330 -5.213 -5.625 1.00 14.34 O ATOM 547 CB ARG A 34 -0.764 -5.076 -6.308 1.00 61.31 C ATOM 548 CG ARG A 34 -2.135 -4.454 -6.041 1.00 3.05 C ATOM 549 CD ARG A 34 -2.894 -4.154 -7.331 1.00 33.11 C ATOM 550 NE ARG A 34 -2.101 -3.359 -8.272 1.00 34.12 N ATOM 551 CZ ARG A 34 -2.592 -2.449 -9.069 1.00 30.03 C ATOM 552 NH1 ARG A 34 -3.841 -2.108 -8.992 1.00 22.01 N ATOM 553 NH2 ARG A 34 -1.813 -1.853 -9.916 1.00 35.25 N ATOM 0 H ARG A 34 0.016 -3.393 -4.604 1.00 5.22 H new ATOM 0 HA ARG A 34 -0.530 -6.250 -4.514 1.00 14.50 H new ATOM 0 HB2 ARG A 34 -0.164 -4.375 -6.888 1.00 61.31 H new ATOM 0 HB3 ARG A 34 -0.893 -5.968 -6.920 1.00 61.31 H new ATOM 0 HG2 ARG A 34 -2.725 -5.131 -5.424 1.00 3.05 H new ATOM 0 HG3 ARG A 34 -2.009 -3.532 -5.473 1.00 3.05 H new ATOM 0 HD2 ARG A 34 -3.184 -5.092 -7.805 1.00 33.11 H new ATOM 0 HD3 ARG A 34 -3.814 -3.620 -7.093 1.00 33.11 H new ATOM 0 HE ARG A 34 -1.096 -3.528 -8.307 1.00 34.12 H new ATOM 0 HH11 ARG A 34 -4.449 -2.552 -8.304 1.00 22.01 H new ATOM 0 HH12 ARG A 34 -4.215 -1.396 -9.619 1.00 22.01 H new ATOM 0 HH21 ARG A 34 -0.823 -2.096 -9.957 1.00 35.25 H new ATOM 0 HH22 ARG A 34 -2.190 -1.141 -10.542 1.00 35.25 H new ATOM 567 N PRO A 35 1.567 -7.328 -5.440 1.00 60.12 N ATOM 568 CA PRO A 35 2.882 -7.966 -5.665 1.00 21.23 C ATOM 569 C PRO A 35 3.541 -7.557 -6.991 1.00 0.51 C ATOM 570 O PRO A 35 4.764 -7.429 -7.081 1.00 31.12 O ATOM 571 CB PRO A 35 2.559 -9.473 -5.679 1.00 32.30 C ATOM 572 CG PRO A 35 1.231 -9.603 -5.009 1.00 64.23 C ATOM 573 CD PRO A 35 0.489 -8.327 -5.298 1.00 72.40 C ATOM 0 HA PRO A 35 3.596 -7.667 -4.897 1.00 21.23 H new ATOM 0 HB2 PRO A 35 2.523 -9.857 -6.698 1.00 32.30 H new ATOM 0 HB3 PRO A 35 3.323 -10.043 -5.150 1.00 32.30 H new ATOM 0 HG2 PRO A 35 0.685 -10.466 -5.391 1.00 64.23 H new ATOM 0 HG3 PRO A 35 1.349 -9.750 -3.935 1.00 64.23 H new ATOM 0 HD2 PRO A 35 -0.107 -8.406 -6.207 1.00 72.40 H new ATOM 0 HD3 PRO A 35 -0.195 -8.068 -4.490 1.00 72.40 H new ATOM 581 N ARG A 36 2.719 -7.344 -8.014 1.00 14.01 N ATOM 582 CA ARG A 36 3.212 -7.067 -9.368 1.00 73.21 C ATOM 583 C ARG A 36 3.665 -5.608 -9.536 1.00 74.45 C ATOM 584 O ARG A 36 4.342 -5.270 -10.510 1.00 13.43 O ATOM 585 CB ARG A 36 2.118 -7.417 -10.385 1.00 23.11 C ATOM 586 CG ARG A 36 1.623 -8.853 -10.235 1.00 45.34 C ATOM 587 CD ARG A 36 0.557 -9.229 -11.257 1.00 34.42 C ATOM 588 NE ARG A 36 0.081 -10.596 -11.043 1.00 2.24 N ATOM 589 CZ ARG A 36 -0.494 -11.333 -11.953 1.00 31.25 C ATOM 590 NH1 ARG A 36 -0.684 -10.882 -13.150 1.00 53.41 N ATOM 591 NH2 ARG A 36 -0.869 -12.533 -11.662 1.00 64.14 N ATOM 0 H ARG A 36 1.702 -7.357 -7.935 1.00 14.01 H new ATOM 0 HA ARG A 36 4.091 -7.687 -9.543 1.00 73.21 H new ATOM 0 HB2 ARG A 36 1.279 -6.732 -10.263 1.00 23.11 H new ATOM 0 HB3 ARG A 36 2.504 -7.272 -11.394 1.00 23.11 H new ATOM 0 HG2 ARG A 36 2.468 -9.534 -10.333 1.00 45.34 H new ATOM 0 HG3 ARG A 36 1.219 -8.989 -9.232 1.00 45.34 H new ATOM 0 HD2 ARG A 36 -0.280 -8.534 -11.187 1.00 34.42 H new ATOM 0 HD3 ARG A 36 0.965 -9.136 -12.264 1.00 34.42 H new ATOM 0 HE ARG A 36 0.208 -11.002 -10.116 1.00 2.24 H new ATOM 0 HH11 ARG A 36 -0.383 -9.938 -13.393 1.00 53.41 H new ATOM 0 HH12 ARG A 36 -1.135 -11.470 -13.851 1.00 53.41 H new ATOM 0 HH21 ARG A 36 -0.715 -12.902 -10.723 1.00 64.14 H new ATOM 0 HH22 ARG A 36 -1.319 -13.113 -12.370 1.00 64.14 H new ATOM 605 N ASP A 37 3.304 -4.757 -8.580 1.00 22.14 N ATOM 606 CA ASP A 37 3.692 -3.341 -8.604 1.00 54.52 C ATOM 607 C ASP A 37 4.919 -3.081 -7.709 1.00 71.11 C ATOM 608 O ASP A 37 5.293 -1.934 -7.452 1.00 20.52 O ATOM 609 CB ASP A 37 2.503 -2.488 -8.152 1.00 4.42 C ATOM 610 CG ASP A 37 1.288 -2.697 -9.038 1.00 45.43 C ATOM 611 OD1 ASP A 37 0.634 -3.752 -8.917 1.00 12.45 O ATOM 612 OD2 ASP A 37 0.986 -1.814 -9.869 1.00 33.34 O ATOM 0 H ASP A 37 2.740 -5.021 -7.772 1.00 22.14 H new ATOM 0 HA ASP A 37 3.971 -3.069 -9.622 1.00 54.52 H new ATOM 0 HB2 ASP A 37 2.248 -2.737 -7.122 1.00 4.42 H new ATOM 0 HB3 ASP A 37 2.785 -1.435 -8.165 1.00 4.42 H new ATOM 617 N MET A 38 5.545 -4.159 -7.242 1.00 14.21 N ATOM 618 CA MET A 38 6.740 -4.069 -6.400 1.00 21.21 C ATOM 619 C MET A 38 8.024 -4.035 -7.247 1.00 24.33 C ATOM 620 O MET A 38 8.305 -4.964 -8.010 1.00 22.40 O ATOM 621 CB MET A 38 6.780 -5.255 -5.431 1.00 21.44 C ATOM 622 CG MET A 38 5.623 -5.271 -4.443 1.00 64.41 C ATOM 623 SD MET A 38 5.656 -3.865 -3.317 1.00 24.42 S ATOM 624 CE MET A 38 7.089 -4.244 -2.307 1.00 62.31 C ATOM 0 H MET A 38 5.242 -5.114 -7.434 1.00 14.21 H new ATOM 0 HA MET A 38 6.689 -3.138 -5.836 1.00 21.21 H new ATOM 0 HB2 MET A 38 6.771 -6.182 -6.004 1.00 21.44 H new ATOM 0 HB3 MET A 38 7.719 -5.231 -4.878 1.00 21.44 H new ATOM 0 HG2 MET A 38 4.681 -5.271 -4.992 1.00 64.41 H new ATOM 0 HG3 MET A 38 5.655 -6.195 -3.866 1.00 64.41 H new ATOM 0 HE1 MET A 38 6.999 -3.741 -1.344 1.00 62.31 H new ATOM 0 HE2 MET A 38 7.149 -5.321 -2.149 1.00 62.31 H new ATOM 0 HE3 MET A 38 7.992 -3.901 -2.813 1.00 62.31 H new ATOM 634 N ILE A 39 8.801 -2.958 -7.118 1.00 53.23 N ATOM 635 CA ILE A 39 10.061 -2.812 -7.860 1.00 31.02 C ATOM 636 C ILE A 39 11.215 -3.595 -7.198 1.00 44.33 C ATOM 637 O ILE A 39 11.732 -4.558 -7.766 1.00 5.05 O ATOM 638 CB ILE A 39 10.466 -1.320 -7.993 1.00 24.25 C ATOM 639 CG1 ILE A 39 9.346 -0.512 -8.667 1.00 54.23 C ATOM 640 CG2 ILE A 39 11.775 -1.173 -8.767 1.00 64.13 C ATOM 641 CD1 ILE A 39 8.946 -1.017 -10.038 1.00 23.11 C ATOM 0 H ILE A 39 8.582 -2.171 -6.507 1.00 53.23 H new ATOM 0 HA ILE A 39 9.884 -3.227 -8.852 1.00 31.02 H new ATOM 0 HB ILE A 39 10.621 -0.924 -6.990 1.00 24.25 H new ATOM 0 HG12 ILE A 39 8.469 -0.521 -8.020 1.00 54.23 H new ATOM 0 HG13 ILE A 39 9.666 0.526 -8.755 1.00 54.23 H new ATOM 0 HG21 ILE A 39 12.035 -0.117 -8.845 1.00 64.13 H new ATOM 0 HG22 ILE A 39 12.569 -1.704 -8.243 1.00 64.13 H new ATOM 0 HG23 ILE A 39 11.656 -1.592 -9.766 1.00 64.13 H new ATOM 0 HD11 ILE A 39 8.151 -0.389 -10.439 1.00 23.11 H new ATOM 0 HD12 ILE A 39 9.808 -0.981 -10.705 1.00 23.11 H new ATOM 0 HD13 ILE A 39 8.591 -2.045 -9.958 1.00 23.11 H new ATOM 653 N SER A 40 11.617 -3.170 -6.001 1.00 73.44 N ATOM 654 CA SER A 40 12.742 -3.804 -5.285 1.00 40.32 C ATOM 655 C SER A 40 12.277 -4.949 -4.372 1.00 13.22 C ATOM 656 O SER A 40 12.652 -6.108 -4.563 1.00 54.01 O ATOM 657 CB SER A 40 13.490 -2.760 -4.443 1.00 13.02 C ATOM 658 OG SER A 40 13.893 -1.650 -5.231 1.00 54.43 O ATOM 0 H SER A 40 11.187 -2.392 -5.501 1.00 73.44 H new ATOM 0 HA SER A 40 13.406 -4.223 -6.041 1.00 40.32 H new ATOM 0 HB2 SER A 40 12.848 -2.418 -3.631 1.00 13.02 H new ATOM 0 HB3 SER A 40 14.366 -3.220 -3.985 1.00 13.02 H new ATOM 0 HG SER A 40 14.365 -1.002 -4.667 1.00 54.43 H new ATOM 664 N LEU A 41 11.460 -4.609 -3.374 1.00 45.52 N ATOM 665 CA LEU A 41 11.014 -5.572 -2.358 1.00 51.42 C ATOM 666 C LEU A 41 9.856 -6.455 -2.849 1.00 30.22 C ATOM 667 O LEU A 41 9.074 -6.057 -3.703 1.00 24.42 O ATOM 668 CB LEU A 41 10.576 -4.815 -1.093 1.00 20.33 C ATOM 669 CG LEU A 41 11.703 -4.097 -0.335 1.00 11.44 C ATOM 670 CD1 LEU A 41 11.141 -3.263 0.813 1.00 21.35 C ATOM 671 CD2 LEU A 41 12.719 -5.107 0.184 1.00 30.04 C ATOM 0 H LEU A 41 11.090 -3.667 -3.245 1.00 45.52 H new ATOM 0 HA LEU A 41 11.856 -6.229 -2.142 1.00 51.42 H new ATOM 0 HB2 LEU A 41 9.822 -4.079 -1.373 1.00 20.33 H new ATOM 0 HB3 LEU A 41 10.096 -5.521 -0.415 1.00 20.33 H new ATOM 0 HG LEU A 41 12.206 -3.422 -1.028 1.00 11.44 H new ATOM 0 HD11 LEU A 41 11.958 -2.764 1.334 1.00 21.35 H new ATOM 0 HD12 LEU A 41 10.453 -2.516 0.417 1.00 21.35 H new ATOM 0 HD13 LEU A 41 10.610 -3.913 1.508 1.00 21.35 H new ATOM 0 HD21 LEU A 41 13.512 -4.584 0.719 1.00 30.04 H new ATOM 0 HD22 LEU A 41 12.225 -5.805 0.860 1.00 30.04 H new ATOM 0 HD23 LEU A 41 13.148 -5.655 -0.655 1.00 30.04 H new ATOM 683 N ARG A 42 9.776 -7.665 -2.306 1.00 31.32 N ATOM 684 CA ARG A 42 8.630 -8.555 -2.519 1.00 40.41 C ATOM 685 C ARG A 42 7.907 -8.810 -1.187 1.00 22.40 C ATOM 686 O ARG A 42 8.483 -8.590 -0.120 1.00 53.02 O ATOM 687 CB ARG A 42 9.099 -9.888 -3.122 1.00 63.32 C ATOM 688 CG ARG A 42 9.719 -9.764 -4.514 1.00 54.43 C ATOM 689 CD ARG A 42 8.695 -9.340 -5.563 1.00 44.24 C ATOM 690 NE ARG A 42 9.268 -9.297 -6.908 1.00 75.45 N ATOM 691 CZ ARG A 42 8.931 -10.108 -7.879 1.00 70.14 C ATOM 692 NH1 ARG A 42 8.080 -11.063 -7.672 1.00 4.12 N ATOM 693 NH2 ARG A 42 9.460 -9.972 -9.052 1.00 60.11 N ATOM 0 H ARG A 42 10.500 -8.060 -1.706 1.00 31.32 H new ATOM 0 HA ARG A 42 7.939 -8.077 -3.213 1.00 40.41 H new ATOM 0 HB2 ARG A 42 9.829 -10.340 -2.451 1.00 63.32 H new ATOM 0 HB3 ARG A 42 8.249 -10.569 -3.175 1.00 63.32 H new ATOM 0 HG2 ARG A 42 10.530 -9.037 -4.485 1.00 54.43 H new ATOM 0 HG3 ARG A 42 10.157 -10.720 -4.802 1.00 54.43 H new ATOM 0 HD2 ARG A 42 7.855 -10.034 -5.550 1.00 44.24 H new ATOM 0 HD3 ARG A 42 8.300 -8.357 -5.306 1.00 44.24 H new ATOM 0 HE ARG A 42 9.976 -8.589 -7.102 1.00 75.45 H new ATOM 0 HH11 ARG A 42 7.668 -11.187 -6.747 1.00 4.12 H new ATOM 0 HH12 ARG A 42 7.823 -11.691 -8.434 1.00 4.12 H new ATOM 0 HH21 ARG A 42 10.141 -9.232 -9.222 1.00 60.11 H new ATOM 0 HH22 ARG A 42 9.196 -10.605 -9.807 1.00 60.11 H new ATOM 707 N LEU A 43 6.660 -9.285 -1.246 1.00 40.20 N ATOM 708 CA LEU A 43 5.886 -9.601 -0.026 1.00 32.42 C ATOM 709 C LEU A 43 6.690 -10.496 0.930 1.00 41.13 C ATOM 710 O LEU A 43 6.594 -10.377 2.150 1.00 52.01 O ATOM 711 CB LEU A 43 4.571 -10.310 -0.386 1.00 51.11 C ATOM 712 CG LEU A 43 3.628 -9.540 -1.323 1.00 70.13 C ATOM 713 CD1 LEU A 43 2.357 -10.348 -1.574 1.00 63.23 C ATOM 714 CD2 LEU A 43 3.287 -8.164 -0.752 1.00 13.33 C ATOM 0 H LEU A 43 6.160 -9.461 -2.118 1.00 40.20 H new ATOM 0 HA LEU A 43 5.669 -8.656 0.472 1.00 32.42 H new ATOM 0 HB2 LEU A 43 4.812 -11.266 -0.850 1.00 51.11 H new ATOM 0 HB3 LEU A 43 4.035 -10.530 0.537 1.00 51.11 H new ATOM 0 HG LEU A 43 4.140 -9.389 -2.273 1.00 70.13 H new ATOM 0 HD11 LEU A 43 1.697 -9.791 -2.239 1.00 63.23 H new ATOM 0 HD12 LEU A 43 2.617 -11.301 -2.035 1.00 63.23 H new ATOM 0 HD13 LEU A 43 1.848 -10.529 -0.627 1.00 63.23 H new ATOM 0 HD21 LEU A 43 2.618 -7.642 -1.436 1.00 13.33 H new ATOM 0 HD22 LEU A 43 2.797 -8.282 0.215 1.00 13.33 H new ATOM 0 HD23 LEU A 43 4.202 -7.585 -0.627 1.00 13.33 H new ATOM 726 N GLU A 44 7.484 -11.382 0.341 1.00 2.14 N ATOM 727 CA GLU A 44 8.351 -12.307 1.079 1.00 3.41 C ATOM 728 C GLU A 44 9.249 -11.579 2.097 1.00 13.40 C ATOM 729 O GLU A 44 9.516 -12.089 3.187 1.00 13.15 O ATOM 730 CB GLU A 44 9.236 -13.055 0.073 1.00 15.43 C ATOM 731 CG GLU A 44 8.457 -13.689 -1.076 1.00 12.21 C ATOM 732 CD GLU A 44 9.358 -14.153 -2.207 1.00 44.54 C ATOM 733 OE1 GLU A 44 9.924 -15.259 -2.109 1.00 75.14 O ATOM 734 OE2 GLU A 44 9.520 -13.400 -3.191 1.00 10.43 O ATOM 0 H GLU A 44 7.548 -11.484 -0.672 1.00 2.14 H new ATOM 0 HA GLU A 44 7.715 -12.995 1.636 1.00 3.41 H new ATOM 0 HB2 GLU A 44 9.971 -12.362 -0.337 1.00 15.43 H new ATOM 0 HB3 GLU A 44 9.790 -13.833 0.598 1.00 15.43 H new ATOM 0 HG2 GLU A 44 7.887 -14.538 -0.699 1.00 12.21 H new ATOM 0 HG3 GLU A 44 7.737 -12.968 -1.463 1.00 12.21 H new ATOM 741 N ASN A 45 9.706 -10.383 1.733 1.00 13.53 N ATOM 742 CA ASN A 45 10.674 -9.637 2.547 1.00 31.53 C ATOM 743 C ASN A 45 10.004 -8.568 3.426 1.00 54.31 C ATOM 744 O ASN A 45 10.676 -7.883 4.198 1.00 44.34 O ATOM 745 CB ASN A 45 11.708 -8.968 1.635 1.00 21.55 C ATOM 746 CG ASN A 45 12.306 -9.931 0.624 1.00 2.03 C ATOM 747 OD1 ASN A 45 12.412 -11.127 0.866 1.00 43.24 O ATOM 748 ND2 ASN A 45 12.722 -9.410 -0.509 1.00 21.52 N ATOM 0 H ASN A 45 9.423 -9.905 0.878 1.00 13.53 H new ATOM 0 HA ASN A 45 11.157 -10.354 3.211 1.00 31.53 H new ATOM 0 HB2 ASN A 45 11.238 -8.138 1.107 1.00 21.55 H new ATOM 0 HB3 ASN A 45 12.506 -8.546 2.246 1.00 21.55 H new ATOM 0 HD21 ASN A 45 13.148 -10.006 -1.218 1.00 21.52 H new ATOM 0 HD22 ASN A 45 12.619 -8.410 -0.679 1.00 21.52 H new ATOM 755 N LEU A 46 8.686 -8.424 3.309 1.00 44.44 N ATOM 756 CA LEU A 46 7.959 -7.390 4.055 1.00 60.03 C ATOM 757 C LEU A 46 7.520 -7.898 5.436 1.00 50.10 C ATOM 758 O LEU A 46 7.077 -9.041 5.580 1.00 44.11 O ATOM 759 CB LEU A 46 6.737 -6.909 3.257 1.00 23.34 C ATOM 760 CG LEU A 46 7.031 -6.429 1.824 1.00 1.05 C ATOM 761 CD1 LEU A 46 5.776 -5.845 1.176 1.00 51.32 C ATOM 762 CD2 LEU A 46 8.177 -5.415 1.808 1.00 11.33 C ATOM 0 H LEU A 46 8.099 -9.004 2.710 1.00 44.44 H new ATOM 0 HA LEU A 46 8.639 -6.551 4.204 1.00 60.03 H new ATOM 0 HB2 LEU A 46 6.013 -7.722 3.208 1.00 23.34 H new ATOM 0 HB3 LEU A 46 6.264 -6.094 3.805 1.00 23.34 H new ATOM 0 HG LEU A 46 7.342 -7.294 1.238 1.00 1.05 H new ATOM 0 HD11 LEU A 46 6.010 -5.513 0.164 1.00 51.32 H new ATOM 0 HD12 LEU A 46 4.998 -6.608 1.137 1.00 51.32 H new ATOM 0 HD13 LEU A 46 5.424 -4.997 1.764 1.00 51.32 H new ATOM 0 HD21 LEU A 46 8.363 -5.093 0.784 1.00 11.33 H new ATOM 0 HD22 LEU A 46 7.908 -4.552 2.417 1.00 11.33 H new ATOM 0 HD23 LEU A 46 9.077 -5.877 2.213 1.00 11.33 H new ATOM 774 N ASN A 47 7.654 -7.046 6.448 1.00 5.31 N ATOM 775 CA ASN A 47 7.281 -7.396 7.825 1.00 52.40 C ATOM 776 C ASN A 47 6.285 -6.385 8.407 1.00 51.52 C ATOM 777 O ASN A 47 6.135 -5.272 7.897 1.00 52.40 O ATOM 778 CB ASN A 47 8.529 -7.440 8.715 1.00 51.30 C ATOM 779 CG ASN A 47 9.594 -8.369 8.174 1.00 52.24 C ATOM 780 OD1 ASN A 47 9.655 -9.544 8.524 1.00 3.32 O ATOM 781 ND2 ASN A 47 10.433 -7.850 7.303 1.00 71.54 N ATOM 0 H ASN A 47 8.021 -6.100 6.344 1.00 5.31 H new ATOM 0 HA ASN A 47 6.808 -8.378 7.800 1.00 52.40 H new ATOM 0 HB2 ASN A 47 8.941 -6.435 8.808 1.00 51.30 H new ATOM 0 HB3 ASN A 47 8.246 -7.762 9.717 1.00 51.30 H new ATOM 0 HD21 ASN A 47 11.166 -8.429 6.894 1.00 71.54 H new ATOM 0 HD22 ASN A 47 10.350 -6.869 7.037 1.00 71.54 H new ATOM 788 N VAL A 48 5.614 -6.772 9.489 1.00 34.53 N ATOM 789 CA VAL A 48 4.697 -5.872 10.188 1.00 4.40 C ATOM 790 C VAL A 48 5.471 -4.718 10.844 1.00 73.25 C ATOM 791 O VAL A 48 6.280 -4.936 11.746 1.00 45.01 O ATOM 792 CB VAL A 48 3.882 -6.624 11.269 1.00 50.23 C ATOM 793 CG1 VAL A 48 2.919 -5.678 11.988 1.00 74.51 C ATOM 794 CG2 VAL A 48 3.128 -7.801 10.647 1.00 0.23 C ATOM 0 H VAL A 48 5.687 -7.702 9.902 1.00 34.53 H new ATOM 0 HA VAL A 48 4.005 -5.471 9.447 1.00 4.40 H new ATOM 0 HB VAL A 48 4.579 -7.015 12.010 1.00 50.23 H new ATOM 0 HG11 VAL A 48 2.359 -6.232 12.742 1.00 74.51 H new ATOM 0 HG12 VAL A 48 3.484 -4.880 12.470 1.00 74.51 H new ATOM 0 HG13 VAL A 48 2.226 -5.247 11.266 1.00 74.51 H new ATOM 0 HG21 VAL A 48 2.560 -8.319 11.420 1.00 0.23 H new ATOM 0 HG22 VAL A 48 2.446 -7.432 9.881 1.00 0.23 H new ATOM 0 HG23 VAL A 48 3.840 -8.492 10.196 1.00 0.23 H new ATOM 804 N GLY A 49 5.229 -3.497 10.376 1.00 64.41 N ATOM 805 CA GLY A 49 5.924 -2.335 10.922 1.00 43.43 C ATOM 806 C GLY A 49 6.830 -1.639 9.911 1.00 12.12 C ATOM 807 O GLY A 49 7.245 -0.499 10.131 1.00 71.21 O ATOM 0 H GLY A 49 4.566 -3.287 9.630 1.00 64.41 H new ATOM 0 HA2 GLY A 49 5.188 -1.621 11.290 1.00 43.43 H new ATOM 0 HA3 GLY A 49 6.521 -2.648 11.779 1.00 43.43 H new ATOM 811 N ASP A 50 7.150 -2.315 8.806 1.00 65.33 N ATOM 812 CA ASP A 50 7.991 -1.720 7.762 1.00 1.03 C ATOM 813 C ASP A 50 7.331 -0.481 7.129 1.00 15.43 C ATOM 814 O ASP A 50 6.373 -0.591 6.362 1.00 24.10 O ATOM 815 CB ASP A 50 8.344 -2.751 6.676 1.00 25.21 C ATOM 816 CG ASP A 50 9.481 -3.673 7.088 1.00 71.31 C ATOM 817 OD1 ASP A 50 10.449 -3.186 7.711 1.00 25.12 O ATOM 818 OD2 ASP A 50 9.438 -4.875 6.765 1.00 63.11 O ATOM 0 H ASP A 50 6.843 -3.268 8.610 1.00 65.33 H new ATOM 0 HA ASP A 50 8.913 -1.396 8.245 1.00 1.03 H new ATOM 0 HB2 ASP A 50 7.462 -3.349 6.448 1.00 25.21 H new ATOM 0 HB3 ASP A 50 8.620 -2.228 5.760 1.00 25.21 H new ATOM 823 N GLU A 51 7.842 0.697 7.482 1.00 23.11 N ATOM 824 CA GLU A 51 7.365 1.960 6.910 1.00 11.02 C ATOM 825 C GLU A 51 8.052 2.244 5.563 1.00 74.24 C ATOM 826 O GLU A 51 9.237 2.583 5.512 1.00 71.24 O ATOM 827 CB GLU A 51 7.604 3.109 7.905 1.00 13.10 C ATOM 828 CG GLU A 51 6.772 2.979 9.181 1.00 52.42 C ATOM 829 CD GLU A 51 7.090 4.035 10.228 1.00 2.31 C ATOM 830 OE1 GLU A 51 7.053 5.239 9.901 1.00 15.14 O ATOM 831 OE2 GLU A 51 7.377 3.663 11.386 1.00 1.10 O ATOM 0 H GLU A 51 8.591 0.806 8.166 1.00 23.11 H new ATOM 0 HA GLU A 51 6.294 1.879 6.724 1.00 11.02 H new ATOM 0 HB2 GLU A 51 8.661 3.139 8.169 1.00 13.10 H new ATOM 0 HB3 GLU A 51 7.369 4.057 7.420 1.00 13.10 H new ATOM 0 HG2 GLU A 51 5.715 3.043 8.923 1.00 52.42 H new ATOM 0 HG3 GLU A 51 6.936 1.991 9.612 1.00 52.42 H new ATOM 838 N ILE A 52 7.302 2.091 4.475 1.00 43.24 N ATOM 839 CA ILE A 52 7.851 2.204 3.114 1.00 63.34 C ATOM 840 C ILE A 52 7.151 3.312 2.300 1.00 24.44 C ATOM 841 O ILE A 52 5.984 3.627 2.531 1.00 52.43 O ATOM 842 CB ILE A 52 7.708 0.851 2.363 1.00 73.35 C ATOM 843 CG1 ILE A 52 8.362 -0.281 3.175 1.00 70.21 C ATOM 844 CG2 ILE A 52 8.323 0.933 0.966 1.00 4.03 C ATOM 845 CD1 ILE A 52 8.189 -1.656 2.559 1.00 14.50 C ATOM 0 H ILE A 52 6.303 1.887 4.504 1.00 43.24 H new ATOM 0 HA ILE A 52 8.904 2.467 3.213 1.00 63.34 H new ATOM 0 HB ILE A 52 6.646 0.633 2.251 1.00 73.35 H new ATOM 0 HG12 ILE A 52 9.427 -0.072 3.280 1.00 70.21 H new ATOM 0 HG13 ILE A 52 7.938 -0.287 4.179 1.00 70.21 H new ATOM 0 HG21 ILE A 52 8.210 -0.027 0.462 1.00 4.03 H new ATOM 0 HG22 ILE A 52 7.816 1.708 0.390 1.00 4.03 H new ATOM 0 HG23 ILE A 52 9.382 1.177 1.048 1.00 4.03 H new ATOM 0 HD11 ILE A 52 8.677 -2.401 3.188 1.00 14.50 H new ATOM 0 HD12 ILE A 52 7.127 -1.888 2.479 1.00 14.50 H new ATOM 0 HD13 ILE A 52 8.639 -1.669 1.566 1.00 14.50 H new ATOM 857 N ILE A 53 7.876 3.898 1.344 1.00 52.14 N ATOM 858 CA ILE A 53 7.309 4.914 0.449 1.00 50.25 C ATOM 859 C ILE A 53 6.562 4.258 -0.725 1.00 72.23 C ATOM 860 O ILE A 53 7.160 3.549 -1.536 1.00 74.34 O ATOM 861 CB ILE A 53 8.414 5.847 -0.108 1.00 32.44 C ATOM 862 CG1 ILE A 53 9.200 6.494 1.047 1.00 13.04 C ATOM 863 CG2 ILE A 53 7.810 6.919 -1.018 1.00 21.31 C ATOM 864 CD1 ILE A 53 10.326 7.406 0.599 1.00 24.11 C ATOM 0 H ILE A 53 8.858 3.687 1.168 1.00 52.14 H new ATOM 0 HA ILE A 53 6.606 5.505 1.036 1.00 50.25 H new ATOM 0 HB ILE A 53 9.104 5.248 -0.703 1.00 32.44 H new ATOM 0 HG12 ILE A 53 8.509 7.066 1.666 1.00 13.04 H new ATOM 0 HG13 ILE A 53 9.614 5.706 1.676 1.00 13.04 H new ATOM 0 HG21 ILE A 53 8.603 7.563 -1.398 1.00 21.31 H new ATOM 0 HG22 ILE A 53 7.299 6.441 -1.854 1.00 21.31 H new ATOM 0 HG23 ILE A 53 7.097 7.518 -0.451 1.00 21.31 H new ATOM 0 HD11 ILE A 53 10.828 7.820 1.473 1.00 24.11 H new ATOM 0 HD12 ILE A 53 11.041 6.836 0.006 1.00 24.11 H new ATOM 0 HD13 ILE A 53 9.919 8.217 -0.004 1.00 24.11 H new ATOM 876 N VAL A 54 5.253 4.494 -0.809 1.00 63.14 N ATOM 877 CA VAL A 54 4.418 3.880 -1.849 1.00 54.45 C ATOM 878 C VAL A 54 3.499 4.908 -2.531 1.00 31.13 C ATOM 879 O VAL A 54 3.099 5.905 -1.928 1.00 31.20 O ATOM 880 CB VAL A 54 3.545 2.731 -1.271 1.00 12.42 C ATOM 881 CG1 VAL A 54 4.417 1.567 -0.795 1.00 20.43 C ATOM 882 CG2 VAL A 54 2.653 3.242 -0.135 1.00 11.34 C ATOM 0 H VAL A 54 4.745 5.106 -0.170 1.00 63.14 H new ATOM 0 HA VAL A 54 5.106 3.475 -2.591 1.00 54.45 H new ATOM 0 HB VAL A 54 2.900 2.365 -2.070 1.00 12.42 H new ATOM 0 HG11 VAL A 54 3.782 0.776 -0.395 1.00 20.43 H new ATOM 0 HG12 VAL A 54 4.995 1.179 -1.634 1.00 20.43 H new ATOM 0 HG13 VAL A 54 5.096 1.916 -0.017 1.00 20.43 H new ATOM 0 HG21 VAL A 54 2.052 2.420 0.253 1.00 11.34 H new ATOM 0 HG22 VAL A 54 3.276 3.645 0.664 1.00 11.34 H new ATOM 0 HG23 VAL A 54 1.996 4.025 -0.513 1.00 11.34 H new ATOM 892 N GLN A 55 3.175 4.662 -3.799 1.00 13.21 N ATOM 893 CA GLN A 55 2.245 5.521 -4.540 1.00 50.02 C ATOM 894 C GLN A 55 0.830 4.925 -4.551 1.00 35.33 C ATOM 895 O GLN A 55 0.635 3.771 -4.941 1.00 34.54 O ATOM 896 CB GLN A 55 2.730 5.733 -5.985 1.00 41.54 C ATOM 897 CG GLN A 55 1.797 6.611 -6.823 1.00 53.54 C ATOM 898 CD GLN A 55 2.272 6.809 -8.253 1.00 33.34 C ATOM 899 OE1 GLN A 55 2.939 5.954 -8.829 1.00 64.50 O ATOM 900 NE2 GLN A 55 1.934 7.941 -8.841 1.00 64.41 N ATOM 0 H GLN A 55 3.541 3.876 -4.337 1.00 13.21 H new ATOM 0 HA GLN A 55 2.213 6.485 -4.032 1.00 50.02 H new ATOM 0 HB2 GLN A 55 3.721 6.187 -5.964 1.00 41.54 H new ATOM 0 HB3 GLN A 55 2.835 4.763 -6.470 1.00 41.54 H new ATOM 0 HG2 GLN A 55 0.804 6.162 -6.837 1.00 53.54 H new ATOM 0 HG3 GLN A 55 1.699 7.585 -6.343 1.00 53.54 H new ATOM 0 HE21 GLN A 55 1.379 8.632 -8.336 1.00 64.41 H new ATOM 0 HE22 GLN A 55 2.228 8.125 -9.800 1.00 64.41 H new ATOM 909 N ALA A 56 -0.150 5.713 -4.120 1.00 71.50 N ATOM 910 CA ALA A 56 -1.552 5.289 -4.155 1.00 34.11 C ATOM 911 C ALA A 56 -2.086 5.292 -5.589 1.00 62.30 C ATOM 912 O ALA A 56 -2.537 6.323 -6.080 1.00 2.25 O ATOM 913 CB ALA A 56 -2.407 6.201 -3.276 1.00 15.02 C ATOM 0 H ALA A 56 -0.003 6.649 -3.742 1.00 71.50 H new ATOM 0 HA ALA A 56 -1.608 4.272 -3.768 1.00 34.11 H new ATOM 0 HB1 ALA A 56 -3.446 5.873 -3.313 1.00 15.02 H new ATOM 0 HB2 ALA A 56 -2.048 6.156 -2.248 1.00 15.02 H new ATOM 0 HB3 ALA A 56 -2.338 7.226 -3.640 1.00 15.02 H new ATOM 919 N ILE A 57 -2.021 4.145 -6.261 1.00 40.34 N ATOM 920 CA ILE A 57 -2.437 4.030 -7.666 1.00 11.25 C ATOM 921 C ILE A 57 -3.878 4.527 -7.873 1.00 45.40 C ATOM 922 O ILE A 57 -4.103 5.556 -8.514 1.00 31.32 O ATOM 923 CB ILE A 57 -2.326 2.569 -8.167 1.00 51.24 C ATOM 924 CG1 ILE A 57 -0.904 2.032 -7.935 1.00 20.25 C ATOM 925 CG2 ILE A 57 -2.710 2.469 -9.644 1.00 42.21 C ATOM 926 CD1 ILE A 57 -0.737 0.575 -8.310 1.00 74.14 C ATOM 0 H ILE A 57 -1.682 3.273 -5.855 1.00 40.34 H new ATOM 0 HA ILE A 57 -1.761 4.660 -8.244 1.00 11.25 H new ATOM 0 HB ILE A 57 -3.024 1.956 -7.597 1.00 51.24 H new ATOM 0 HG12 ILE A 57 -0.200 2.630 -8.513 1.00 20.25 H new ATOM 0 HG13 ILE A 57 -0.643 2.160 -6.884 1.00 20.25 H new ATOM 0 HG21 ILE A 57 -2.624 1.433 -9.973 1.00 42.21 H new ATOM 0 HG22 ILE A 57 -3.737 2.808 -9.777 1.00 42.21 H new ATOM 0 HG23 ILE A 57 -2.042 3.094 -10.237 1.00 42.21 H new ATOM 0 HD11 ILE A 57 0.291 0.266 -8.120 1.00 74.14 H new ATOM 0 HD12 ILE A 57 -1.416 -0.034 -7.713 1.00 74.14 H new ATOM 0 HD13 ILE A 57 -0.966 0.443 -9.368 1.00 74.14 H new ATOM 938 N ASP A 58 -4.842 3.795 -7.319 1.00 72.22 N ATOM 939 CA ASP A 58 -6.254 4.181 -7.404 1.00 52.11 C ATOM 940 C ASP A 58 -6.914 4.202 -6.019 1.00 71.14 C ATOM 941 O ASP A 58 -6.830 3.236 -5.261 1.00 31.11 O ATOM 942 CB ASP A 58 -7.027 3.225 -8.325 1.00 44.34 C ATOM 943 CG ASP A 58 -6.654 3.385 -9.788 1.00 34.13 C ATOM 944 OD1 ASP A 58 -6.989 4.437 -10.375 1.00 25.13 O ATOM 945 OD2 ASP A 58 -6.047 2.457 -10.366 1.00 13.11 O ATOM 0 H ASP A 58 -4.674 2.930 -6.805 1.00 72.22 H new ATOM 0 HA ASP A 58 -6.288 5.188 -7.821 1.00 52.11 H new ATOM 0 HB2 ASP A 58 -6.836 2.197 -8.017 1.00 44.34 H new ATOM 0 HB3 ASP A 58 -8.096 3.400 -8.207 1.00 44.34 H new ATOM 950 N VAL A 59 -7.563 5.317 -5.700 1.00 61.40 N ATOM 951 CA VAL A 59 -8.376 5.431 -4.485 1.00 64.34 C ATOM 952 C VAL A 59 -9.860 5.446 -4.864 1.00 30.44 C ATOM 953 O VAL A 59 -10.365 6.440 -5.388 1.00 30.42 O ATOM 954 CB VAL A 59 -8.033 6.715 -3.684 1.00 24.11 C ATOM 955 CG1 VAL A 59 -8.896 6.824 -2.424 1.00 72.22 C ATOM 956 CG2 VAL A 59 -6.547 6.747 -3.329 1.00 63.24 C ATOM 0 H VAL A 59 -7.544 6.164 -6.269 1.00 61.40 H new ATOM 0 HA VAL A 59 -8.157 4.571 -3.851 1.00 64.34 H new ATOM 0 HB VAL A 59 -8.253 7.576 -4.315 1.00 24.11 H new ATOM 0 HG11 VAL A 59 -8.635 7.733 -1.882 1.00 72.22 H new ATOM 0 HG12 VAL A 59 -9.948 6.859 -2.706 1.00 72.22 H new ATOM 0 HG13 VAL A 59 -8.720 5.958 -1.786 1.00 72.22 H new ATOM 0 HG21 VAL A 59 -6.326 7.655 -2.768 1.00 63.24 H new ATOM 0 HG22 VAL A 59 -6.299 5.876 -2.722 1.00 63.24 H new ATOM 0 HG23 VAL A 59 -5.954 6.733 -4.244 1.00 63.24 H new ATOM 966 N ARG A 60 -10.552 4.335 -4.624 1.00 42.25 N ATOM 967 CA ARG A 60 -11.946 4.189 -5.064 1.00 23.33 C ATOM 968 C ARG A 60 -12.934 4.242 -3.884 1.00 20.34 C ATOM 969 O ARG A 60 -13.153 3.234 -3.205 1.00 41.14 O ATOM 970 CB ARG A 60 -12.109 2.867 -5.830 1.00 21.34 C ATOM 971 CG ARG A 60 -11.085 2.679 -6.949 1.00 15.03 C ATOM 972 CD ARG A 60 -11.307 1.379 -7.715 1.00 64.30 C ATOM 973 NE ARG A 60 -12.565 1.389 -8.459 1.00 2.44 N ATOM 974 CZ ARG A 60 -13.173 0.318 -8.893 1.00 53.22 C ATOM 975 NH1 ARG A 60 -12.723 -0.862 -8.603 1.00 11.42 N ATOM 976 NH2 ARG A 60 -14.250 0.435 -9.597 1.00 41.54 N ATOM 0 H ARG A 60 -10.177 3.525 -4.131 1.00 42.25 H new ATOM 0 HA ARG A 60 -12.178 5.028 -5.719 1.00 23.33 H new ATOM 0 HB2 ARG A 60 -12.025 2.037 -5.128 1.00 21.34 H new ATOM 0 HB3 ARG A 60 -13.112 2.824 -6.255 1.00 21.34 H new ATOM 0 HG2 ARG A 60 -11.144 3.521 -7.639 1.00 15.03 H new ATOM 0 HG3 ARG A 60 -10.081 2.683 -6.526 1.00 15.03 H new ATOM 0 HD2 ARG A 60 -10.479 1.219 -8.406 1.00 64.30 H new ATOM 0 HD3 ARG A 60 -11.306 0.542 -7.017 1.00 64.30 H new ATOM 0 HE ARG A 60 -12.997 2.293 -8.652 1.00 2.44 H new ATOM 0 HH11 ARG A 60 -11.885 -0.962 -8.030 1.00 11.42 H new ATOM 0 HH12 ARG A 60 -13.207 -1.691 -8.948 1.00 11.42 H new ATOM 0 HH21 ARG A 60 -14.621 1.361 -9.811 1.00 41.54 H new ATOM 0 HH22 ARG A 60 -14.729 -0.398 -9.939 1.00 41.54 H new ATOM 990 N PRO A 61 -13.558 5.416 -3.632 1.00 25.42 N ATOM 991 CA PRO A 61 -14.530 5.585 -2.532 1.00 20.13 C ATOM 992 C PRO A 61 -15.747 4.655 -2.672 1.00 75.02 C ATOM 993 O PRO A 61 -16.412 4.331 -1.687 1.00 64.11 O ATOM 994 CB PRO A 61 -14.951 7.061 -2.641 1.00 60.44 C ATOM 995 CG PRO A 61 -14.596 7.466 -4.034 1.00 43.32 C ATOM 996 CD PRO A 61 -13.371 6.669 -4.390 1.00 42.51 C ATOM 0 HA PRO A 61 -14.096 5.329 -1.566 1.00 20.13 H new ATOM 0 HB2 PRO A 61 -16.018 7.181 -2.456 1.00 60.44 H new ATOM 0 HB3 PRO A 61 -14.429 7.675 -1.907 1.00 60.44 H new ATOM 0 HG2 PRO A 61 -15.414 7.256 -4.723 1.00 43.32 H new ATOM 0 HG3 PRO A 61 -14.397 8.536 -4.092 1.00 43.32 H new ATOM 0 HD2 PRO A 61 -13.306 6.486 -5.463 1.00 42.51 H new ATOM 0 HD3 PRO A 61 -12.456 7.184 -4.099 1.00 42.51 H new ATOM 1004 N GLU A 62 -16.023 4.223 -3.902 1.00 32.21 N ATOM 1005 CA GLU A 62 -17.117 3.280 -4.178 1.00 32.55 C ATOM 1006 C GLU A 62 -16.893 1.929 -3.472 1.00 31.10 C ATOM 1007 O GLU A 62 -17.846 1.255 -3.079 1.00 53.21 O ATOM 1008 CB GLU A 62 -17.251 3.056 -5.696 1.00 4.44 C ATOM 1009 CG GLU A 62 -16.017 2.420 -6.342 1.00 64.44 C ATOM 1010 CD GLU A 62 -16.200 2.133 -7.824 1.00 40.13 C ATOM 1011 OE1 GLU A 62 -16.997 1.234 -8.167 1.00 33.02 O ATOM 1012 OE2 GLU A 62 -15.549 2.803 -8.653 1.00 62.14 O ATOM 0 H GLU A 62 -15.503 4.511 -4.731 1.00 32.21 H new ATOM 0 HA GLU A 62 -18.037 3.717 -3.789 1.00 32.55 H new ATOM 0 HB2 GLU A 62 -18.116 2.420 -5.884 1.00 4.44 H new ATOM 0 HB3 GLU A 62 -17.449 4.013 -6.178 1.00 4.44 H new ATOM 0 HG2 GLU A 62 -15.162 3.083 -6.209 1.00 64.44 H new ATOM 0 HG3 GLU A 62 -15.782 1.490 -5.824 1.00 64.44 H new ATOM 1019 N LYS A 63 -15.626 1.538 -3.328 1.00 15.12 N ATOM 1020 CA LYS A 63 -15.268 0.248 -2.715 1.00 45.30 C ATOM 1021 C LYS A 63 -14.393 0.417 -1.462 1.00 41.34 C ATOM 1022 O LYS A 63 -14.089 -0.561 -0.781 1.00 12.23 O ATOM 1023 CB LYS A 63 -14.516 -0.622 -3.734 1.00 5.25 C ATOM 1024 CG LYS A 63 -15.365 -1.109 -4.903 1.00 44.53 C ATOM 1025 CD LYS A 63 -16.479 -2.049 -4.452 1.00 12.11 C ATOM 1026 CE LYS A 63 -15.939 -3.278 -3.721 1.00 11.21 C ATOM 1027 NZ LYS A 63 -15.029 -4.094 -4.572 1.00 13.44 N ATOM 0 H LYS A 63 -14.825 2.094 -3.627 1.00 15.12 H new ATOM 0 HA LYS A 63 -16.199 -0.231 -2.413 1.00 45.30 H new ATOM 0 HB2 LYS A 63 -13.674 -0.052 -4.127 1.00 5.25 H new ATOM 0 HB3 LYS A 63 -14.102 -1.488 -3.217 1.00 5.25 H new ATOM 0 HG2 LYS A 63 -15.801 -0.251 -5.416 1.00 44.53 H new ATOM 0 HG3 LYS A 63 -14.728 -1.622 -5.624 1.00 44.53 H new ATOM 0 HD2 LYS A 63 -17.163 -1.510 -3.796 1.00 12.11 H new ATOM 0 HD3 LYS A 63 -17.055 -2.369 -5.320 1.00 12.11 H new ATOM 0 HE2 LYS A 63 -15.405 -2.959 -2.826 1.00 11.21 H new ATOM 0 HE3 LYS A 63 -16.774 -3.896 -3.391 1.00 11.21 H new ATOM 0 HZ1 LYS A 63 -15.000 -5.070 -4.213 1.00 13.44 H new ATOM 0 HZ2 LYS A 63 -15.379 -4.096 -5.551 1.00 13.44 H new ATOM 0 HZ3 LYS A 63 -14.072 -3.687 -4.547 1.00 13.44 H new ATOM 1041 N ARG A 64 -13.978 1.655 -1.177 1.00 32.23 N ATOM 1042 CA ARG A 64 -13.026 1.946 -0.086 1.00 4.54 C ATOM 1043 C ARG A 64 -11.655 1.282 -0.334 1.00 2.32 C ATOM 1044 O ARG A 64 -10.807 1.235 0.556 1.00 72.04 O ATOM 1045 CB ARG A 64 -13.575 1.495 1.280 1.00 41.32 C ATOM 1046 CG ARG A 64 -14.863 2.189 1.710 1.00 13.13 C ATOM 1047 CD ARG A 64 -15.265 1.791 3.129 1.00 21.01 C ATOM 1048 NE ARG A 64 -16.525 2.402 3.546 1.00 61.13 N ATOM 1049 CZ ARG A 64 -16.892 2.552 4.794 1.00 31.15 C ATOM 1050 NH1 ARG A 64 -16.089 2.245 5.763 1.00 32.45 N ATOM 1051 NH2 ARG A 64 -18.058 3.033 5.070 1.00 55.42 N ATOM 0 H ARG A 64 -14.286 2.482 -1.688 1.00 32.23 H new ATOM 0 HA ARG A 64 -12.893 3.028 -0.072 1.00 4.54 H new ATOM 0 HB2 ARG A 64 -13.751 0.420 1.249 1.00 41.32 H new ATOM 0 HB3 ARG A 64 -12.813 1.671 2.039 1.00 41.32 H new ATOM 0 HG2 ARG A 64 -14.731 3.270 1.658 1.00 13.13 H new ATOM 0 HG3 ARG A 64 -15.665 1.932 1.018 1.00 13.13 H new ATOM 0 HD2 ARG A 64 -15.354 0.706 3.187 1.00 21.01 H new ATOM 0 HD3 ARG A 64 -14.476 2.083 3.822 1.00 21.01 H new ATOM 0 HE ARG A 64 -17.159 2.733 2.819 1.00 61.13 H new ATOM 0 HH11 ARG A 64 -15.158 1.882 5.558 1.00 32.45 H new ATOM 0 HH12 ARG A 64 -16.388 2.367 6.731 1.00 32.45 H new ATOM 0 HH21 ARG A 64 -18.693 3.296 4.316 1.00 55.42 H new ATOM 0 HH22 ARG A 64 -18.344 3.150 6.042 1.00 55.42 H new ATOM 1065 N GLU A 65 -11.442 0.788 -1.553 1.00 25.14 N ATOM 1066 CA GLU A 65 -10.207 0.076 -1.901 1.00 31.14 C ATOM 1067 C GLU A 65 -9.159 1.028 -2.493 1.00 72.14 C ATOM 1068 O GLU A 65 -9.466 1.853 -3.360 1.00 63.12 O ATOM 1069 CB GLU A 65 -10.506 -1.060 -2.894 1.00 63.24 C ATOM 1070 CG GLU A 65 -11.474 -2.112 -2.352 1.00 63.41 C ATOM 1071 CD GLU A 65 -11.731 -3.247 -3.335 1.00 24.54 C ATOM 1072 OE1 GLU A 65 -12.440 -3.024 -4.341 1.00 55.54 O ATOM 1073 OE2 GLU A 65 -11.232 -4.369 -3.109 1.00 60.01 O ATOM 0 H GLU A 65 -12.109 0.867 -2.320 1.00 25.14 H new ATOM 0 HA GLU A 65 -9.799 -0.348 -0.983 1.00 31.14 H new ATOM 0 HB2 GLU A 65 -10.922 -0.633 -3.807 1.00 63.24 H new ATOM 0 HB3 GLU A 65 -9.570 -1.547 -3.168 1.00 63.24 H new ATOM 0 HG2 GLU A 65 -11.073 -2.524 -1.426 1.00 63.41 H new ATOM 0 HG3 GLU A 65 -12.421 -1.633 -2.103 1.00 63.41 H new ATOM 1080 N ILE A 66 -7.922 0.907 -2.012 1.00 44.54 N ATOM 1081 CA ILE A 66 -6.808 1.734 -2.490 1.00 45.11 C ATOM 1082 C ILE A 66 -5.629 0.857 -2.948 1.00 23.34 C ATOM 1083 O ILE A 66 -5.057 0.116 -2.151 1.00 60.54 O ATOM 1084 CB ILE A 66 -6.308 2.702 -1.380 1.00 70.03 C ATOM 1085 CG1 ILE A 66 -7.458 3.591 -0.878 1.00 24.33 C ATOM 1086 CG2 ILE A 66 -5.146 3.559 -1.889 1.00 10.33 C ATOM 1087 CD1 ILE A 66 -7.065 4.526 0.250 1.00 35.32 C ATOM 0 H ILE A 66 -7.662 0.239 -1.286 1.00 44.54 H new ATOM 0 HA ILE A 66 -7.181 2.315 -3.333 1.00 45.11 H new ATOM 0 HB ILE A 66 -5.947 2.103 -0.544 1.00 70.03 H new ATOM 0 HG12 ILE A 66 -7.837 4.182 -1.711 1.00 24.33 H new ATOM 0 HG13 ILE A 66 -8.276 2.954 -0.541 1.00 24.33 H new ATOM 0 HG21 ILE A 66 -4.813 4.228 -1.096 1.00 10.33 H new ATOM 0 HG22 ILE A 66 -4.321 2.913 -2.189 1.00 10.33 H new ATOM 0 HG23 ILE A 66 -5.476 4.147 -2.745 1.00 10.33 H new ATOM 0 HD11 ILE A 66 -7.929 5.119 0.549 1.00 35.32 H new ATOM 0 HD12 ILE A 66 -6.714 3.942 1.101 1.00 35.32 H new ATOM 0 HD13 ILE A 66 -6.269 5.189 -0.088 1.00 35.32 H new ATOM 1099 N ASP A 67 -5.267 0.946 -4.225 1.00 33.34 N ATOM 1100 CA ASP A 67 -4.126 0.185 -4.760 1.00 21.41 C ATOM 1101 C ASP A 67 -2.801 0.930 -4.519 1.00 32.41 C ATOM 1102 O ASP A 67 -2.708 2.136 -4.746 1.00 41.33 O ATOM 1103 CB ASP A 67 -4.316 -0.064 -6.262 1.00 4.44 C ATOM 1104 CG ASP A 67 -5.491 -0.979 -6.564 1.00 42.30 C ATOM 1105 OD1 ASP A 67 -5.397 -2.193 -6.279 1.00 24.34 O ATOM 1106 OD2 ASP A 67 -6.507 -0.496 -7.098 1.00 25.43 O ATOM 0 H ASP A 67 -5.741 1.533 -4.911 1.00 33.34 H new ATOM 0 HA ASP A 67 -4.083 -0.770 -4.237 1.00 21.41 H new ATOM 0 HB2 ASP A 67 -4.465 0.890 -6.768 1.00 4.44 H new ATOM 0 HB3 ASP A 67 -3.406 -0.502 -6.671 1.00 4.44 H new ATOM 1111 N PHE A 68 -1.781 0.211 -4.048 1.00 73.35 N ATOM 1112 CA PHE A 68 -0.455 0.805 -3.813 1.00 65.04 C ATOM 1113 C PHE A 68 0.615 0.219 -4.744 1.00 1.12 C ATOM 1114 O PHE A 68 0.515 -0.922 -5.198 1.00 65.12 O ATOM 1115 CB PHE A 68 -0.013 0.613 -2.352 1.00 40.02 C ATOM 1116 CG PHE A 68 -0.789 1.436 -1.355 1.00 0.23 C ATOM 1117 CD1 PHE A 68 -0.975 2.794 -1.558 1.00 30.20 C ATOM 1118 CD2 PHE A 68 -1.312 0.859 -0.206 1.00 25.41 C ATOM 1119 CE1 PHE A 68 -1.667 3.559 -0.642 1.00 45.34 C ATOM 1120 CE2 PHE A 68 -2.007 1.620 0.713 1.00 1.52 C ATOM 1121 CZ PHE A 68 -2.184 2.972 0.494 1.00 44.14 C ATOM 0 H PHE A 68 -1.843 -0.781 -3.821 1.00 73.35 H new ATOM 0 HA PHE A 68 -0.553 1.869 -4.027 1.00 65.04 H new ATOM 0 HB2 PHE A 68 -0.111 -0.441 -2.091 1.00 40.02 H new ATOM 0 HB3 PHE A 68 1.044 0.865 -2.269 1.00 40.02 H new ATOM 0 HD1 PHE A 68 -0.573 3.260 -2.445 1.00 30.20 H new ATOM 0 HD2 PHE A 68 -1.174 -0.197 -0.029 1.00 25.41 H new ATOM 0 HE1 PHE A 68 -1.804 4.616 -0.814 1.00 45.34 H new ATOM 0 HE2 PHE A 68 -2.412 1.159 1.602 1.00 1.52 H new ATOM 0 HZ PHE A 68 -2.727 3.569 1.212 1.00 44.14 H new ATOM 1131 N LYS A 69 1.646 1.020 -5.006 1.00 62.11 N ATOM 1132 CA LYS A 69 2.795 0.602 -5.815 1.00 73.44 C ATOM 1133 C LYS A 69 4.111 0.957 -5.108 1.00 73.21 C ATOM 1134 O LYS A 69 4.197 1.976 -4.420 1.00 44.01 O ATOM 1135 CB LYS A 69 2.749 1.287 -7.189 1.00 32.43 C ATOM 1136 CG LYS A 69 3.889 0.887 -8.125 1.00 44.43 C ATOM 1137 CD LYS A 69 3.810 1.615 -9.464 1.00 2.25 C ATOM 1138 CE LYS A 69 3.910 3.125 -9.290 1.00 54.32 C ATOM 1139 NZ LYS A 69 3.794 3.849 -10.581 1.00 63.34 N ATOM 0 H LYS A 69 1.711 1.979 -4.664 1.00 62.11 H new ATOM 0 HA LYS A 69 2.746 -0.479 -5.947 1.00 73.44 H new ATOM 0 HB2 LYS A 69 1.799 1.051 -7.669 1.00 32.43 H new ATOM 0 HB3 LYS A 69 2.773 2.367 -7.045 1.00 32.43 H new ATOM 0 HG2 LYS A 69 4.844 1.107 -7.648 1.00 44.43 H new ATOM 0 HG3 LYS A 69 3.858 -0.189 -8.295 1.00 44.43 H new ATOM 0 HD2 LYS A 69 4.614 1.269 -10.114 1.00 2.25 H new ATOM 0 HD3 LYS A 69 2.871 1.367 -9.958 1.00 2.25 H new ATOM 0 HE2 LYS A 69 3.125 3.464 -8.614 1.00 54.32 H new ATOM 0 HE3 LYS A 69 4.863 3.372 -8.821 1.00 54.32 H new ATOM 0 HZ1 LYS A 69 3.464 4.820 -10.406 1.00 63.34 H new ATOM 0 HZ2 LYS A 69 4.723 3.878 -11.047 1.00 63.34 H new ATOM 0 HZ3 LYS A 69 3.114 3.357 -11.195 1.00 63.34 H new ATOM 1153 N TYR A 70 5.137 0.133 -5.297 1.00 3.13 N ATOM 1154 CA TYR A 70 6.449 0.389 -4.694 1.00 1.25 C ATOM 1155 C TYR A 70 7.283 1.284 -5.618 1.00 1.14 C ATOM 1156 O TYR A 70 7.696 0.861 -6.693 1.00 54.12 O ATOM 1157 CB TYR A 70 7.185 -0.936 -4.441 1.00 63.10 C ATOM 1158 CG TYR A 70 8.506 -0.789 -3.697 1.00 41.25 C ATOM 1159 CD1 TYR A 70 9.693 -0.522 -4.377 1.00 44.01 C ATOM 1160 CD2 TYR A 70 8.565 -0.925 -2.314 1.00 52.03 C ATOM 1161 CE1 TYR A 70 10.891 -0.395 -3.701 1.00 2.35 C ATOM 1162 CE2 TYR A 70 9.760 -0.800 -1.633 1.00 42.33 C ATOM 1163 CZ TYR A 70 10.920 -0.535 -2.329 1.00 51.31 C ATOM 1164 OH TYR A 70 12.113 -0.412 -1.651 1.00 32.14 O ATOM 0 H TYR A 70 5.090 -0.716 -5.860 1.00 3.13 H new ATOM 0 HA TYR A 70 6.305 0.898 -3.741 1.00 1.25 H new ATOM 0 HB2 TYR A 70 6.532 -1.597 -3.871 1.00 63.10 H new ATOM 0 HB3 TYR A 70 7.373 -1.422 -5.398 1.00 63.10 H new ATOM 0 HD1 TYR A 70 9.676 -0.412 -5.451 1.00 44.01 H new ATOM 0 HD2 TYR A 70 7.660 -1.132 -1.763 1.00 52.03 H new ATOM 0 HE1 TYR A 70 11.801 -0.187 -4.244 1.00 2.35 H new ATOM 0 HE2 TYR A 70 9.786 -0.909 -0.559 1.00 42.33 H new ATOM 0 HH TYR A 70 11.958 -0.537 -0.691 1.00 32.14 H new ATOM 1174 N ILE A 71 7.518 2.522 -5.204 1.00 54.33 N ATOM 1175 CA ILE A 71 8.220 3.497 -6.045 1.00 60.31 C ATOM 1176 C ILE A 71 9.649 3.780 -5.542 1.00 51.02 C ATOM 1177 O ILE A 71 9.847 4.195 -4.398 1.00 2.23 O ATOM 1178 CB ILE A 71 7.428 4.830 -6.129 1.00 73.13 C ATOM 1179 CG1 ILE A 71 7.078 5.344 -4.721 1.00 22.13 C ATOM 1180 CG2 ILE A 71 6.164 4.646 -6.968 1.00 15.44 C ATOM 1181 CD1 ILE A 71 6.303 6.645 -4.717 1.00 31.54 C ATOM 0 H ILE A 71 7.235 2.880 -4.292 1.00 54.33 H new ATOM 0 HA ILE A 71 8.292 3.054 -7.038 1.00 60.31 H new ATOM 0 HB ILE A 71 8.058 5.576 -6.614 1.00 73.13 H new ATOM 0 HG12 ILE A 71 6.495 4.583 -4.202 1.00 22.13 H new ATOM 0 HG13 ILE A 71 8.000 5.480 -4.155 1.00 22.13 H new ATOM 0 HG21 ILE A 71 5.620 5.589 -7.017 1.00 15.44 H new ATOM 0 HG22 ILE A 71 6.438 4.332 -7.975 1.00 15.44 H new ATOM 0 HG23 ILE A 71 5.531 3.885 -6.511 1.00 15.44 H new ATOM 0 HD11 ILE A 71 6.095 6.941 -3.689 1.00 31.54 H new ATOM 0 HD12 ILE A 71 6.892 7.421 -5.206 1.00 31.54 H new ATOM 0 HD13 ILE A 71 5.364 6.511 -5.253 1.00 31.54 H new ATOM 1193 N PRO A 72 10.671 3.541 -6.391 1.00 44.22 N ATOM 1194 CA PRO A 72 12.068 3.872 -6.058 1.00 11.31 C ATOM 1195 C PRO A 72 12.314 5.391 -6.011 1.00 65.44 C ATOM 1196 O PRO A 72 11.883 6.131 -6.901 1.00 23.03 O ATOM 1197 CB PRO A 72 12.869 3.224 -7.199 1.00 64.30 C ATOM 1198 CG PRO A 72 11.911 3.158 -8.341 1.00 24.50 C ATOM 1199 CD PRO A 72 10.554 2.919 -7.728 1.00 62.13 C ATOM 0 HA PRO A 72 12.350 3.513 -5.068 1.00 11.31 H new ATOM 0 HB2 PRO A 72 13.748 3.817 -7.453 1.00 64.30 H new ATOM 0 HB3 PRO A 72 13.223 2.231 -6.921 1.00 64.30 H new ATOM 0 HG2 PRO A 72 11.923 4.085 -8.915 1.00 24.50 H new ATOM 0 HG3 PRO A 72 12.177 2.354 -9.028 1.00 24.50 H new ATOM 0 HD2 PRO A 72 9.760 3.378 -8.317 1.00 62.13 H new ATOM 0 HD3 PRO A 72 10.326 1.855 -7.658 1.00 62.13 H new ATOM 1207 N LEU A 73 13.008 5.850 -4.969 1.00 42.42 N ATOM 1208 CA LEU A 73 13.292 7.279 -4.793 1.00 20.11 C ATOM 1209 C LEU A 73 14.444 7.717 -5.716 1.00 44.12 C ATOM 1210 O LEU A 73 15.525 7.123 -5.709 1.00 53.10 O ATOM 1211 CB LEU A 73 13.627 7.564 -3.311 1.00 5.34 C ATOM 1212 CG LEU A 73 13.513 9.037 -2.846 1.00 25.14 C ATOM 1213 CD1 LEU A 73 13.547 9.121 -1.322 1.00 71.42 C ATOM 1214 CD2 LEU A 73 14.626 9.902 -3.439 1.00 42.20 C ATOM 0 H LEU A 73 13.385 5.254 -4.232 1.00 42.42 H new ATOM 0 HA LEU A 73 12.409 7.857 -5.067 1.00 20.11 H new ATOM 0 HB2 LEU A 73 12.967 6.958 -2.690 1.00 5.34 H new ATOM 0 HB3 LEU A 73 14.645 7.224 -3.120 1.00 5.34 H new ATOM 0 HG LEU A 73 12.558 9.420 -3.206 1.00 25.14 H new ATOM 0 HD11 LEU A 73 13.466 10.163 -1.013 1.00 71.42 H new ATOM 0 HD12 LEU A 73 12.714 8.554 -0.908 1.00 71.42 H new ATOM 0 HD13 LEU A 73 14.486 8.706 -0.956 1.00 71.42 H new ATOM 0 HD21 LEU A 73 14.514 10.929 -3.091 1.00 42.20 H new ATOM 0 HD22 LEU A 73 15.595 9.516 -3.123 1.00 42.20 H new ATOM 0 HD23 LEU A 73 14.564 9.879 -4.527 1.00 42.20 H new ATOM 1226 N GLU A 74 14.200 8.755 -6.516 1.00 20.53 N ATOM 1227 CA GLU A 74 15.216 9.288 -7.438 1.00 4.34 C ATOM 1228 C GLU A 74 16.118 10.329 -6.744 1.00 3.02 C ATOM 1229 O GLU A 74 17.266 9.983 -6.375 1.00 37.26 O ATOM 1230 CB GLU A 74 14.546 9.916 -8.671 1.00 5.22 C ATOM 1231 CG GLU A 74 13.706 8.942 -9.492 1.00 11.30 C ATOM 1232 CD GLU A 74 14.518 7.780 -10.050 1.00 13.34 C ATOM 1233 OE1 GLU A 74 15.581 8.031 -10.656 1.00 65.14 O ATOM 1234 OE2 GLU A 74 14.087 6.615 -9.903 1.00 42.31 O ATOM 0 H GLU A 74 13.307 9.248 -6.548 1.00 20.53 H new ATOM 0 HA GLU A 74 15.842 8.454 -7.755 1.00 4.34 H new ATOM 0 HB2 GLU A 74 13.911 10.740 -8.345 1.00 5.22 H new ATOM 0 HB3 GLU A 74 15.318 10.342 -9.312 1.00 5.22 H new ATOM 0 HG2 GLU A 74 12.902 8.550 -8.869 1.00 11.30 H new ATOM 0 HG3 GLU A 74 13.238 9.480 -10.316 1.00 11.30 H new TER 1241 GLU A 74