USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 800 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 63 HIS : no HD1:sc= -0.785 K(o=-0.78,f=-3.1) USER MOD Set 1.2: A 72 ASN : amide:sc= 0 K(o=-0.78,f=-1.7) USER MOD Set 2.1: A 37 LYS NZ :NH3+ 143:sc= 1.22 (180deg=0) USER MOD Set 2.2: A 48 ASN : amide:sc= 1.34 K(o=2.6,f=-4!) USER MOD Set 3.1: A 11 CYS SG : rot 133:sc= -1.61! USER MOD Set 3.2: A 17 HIS :FLIP no HD1:sc= -1.36 F(o=-8!,f=-4.2) USER MOD Set 3.3: A 20 MET CE :methyl -130:sc= -1.19 (180deg=-1.67) USER MOD Single : A 3 LYS NZ :NH3+ 167:sc= 0.89 (180deg=0.668) USER MOD Single : A 4 LYS NZ :NH3+ 140:sc= 0.981 (180deg=-0.917) USER MOD Single : A 9 CYS SG : rot 150:sc= -0.401 USER MOD Single : A 13 MET CE :methyl 175:sc= -0.0065 (180deg=-0.0658) USER MOD Single : A 18 THR OG1 : rot -23:sc= 0.152 USER MOD Single : A 23 GLN :FLIP amide:sc= -0.0723 F(o=-0.92,f=-0.072) USER MOD Single : A 34 TYR OH : rot -86:sc= -1.87 USER MOD Single : A 40 THR OG1 : rot -110:sc= -0.811 USER MOD Single : A 41 GLN : amide:sc= -4.38 K(o=-4.4,f=-6.4!) USER MOD Single : A 47 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.021) USER MOD Single : A 51 THR OG1 : rot -61:sc= 0.434 USER MOD Single : A 53 GLN : amide:sc= -0.223 X(o=-0.22,f=-0.091) USER MOD Single : A 59 THR OG1 : rot -150:sc= 0 USER MOD Single : A 64 SER OG : rot 82:sc= -1.97! USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot -35:sc= 0.356 USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.211 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= -0.478 X(o=-0.48,f=-0.65) USER MOD Single : A 97 LYS NZ :NH3+ -133:sc= 1.3 (180deg=0.64) USER MOD Single : A 102 MET CE :methyl -176:sc= -1.26 (180deg=-1.37) USER MOD Single : A 105 SER OG : rot 84:sc= 0.812 USER MOD Single : A 107 GLN : amide:sc= -0.494 K(o=-0.49,f=-4.4!) USER MOD Single : A 108 GLN : amide:sc= -0.0069 X(o=-0.0069,f=0) USER MOD ----------------------------------------------------------------- ATOM 29 N LYS A 3 7.580 -1.390 -1.812 1.00 0.00 N ATOM 30 CA LYS A 3 8.914 -0.843 -1.472 1.00 0.00 C ATOM 31 C LYS A 3 10.018 -1.651 -2.184 1.00 0.00 C ATOM 32 O LYS A 3 9.733 -2.498 -3.057 1.00 0.00 O ATOM 33 CB LYS A 3 9.126 -0.788 0.084 1.00 0.00 C ATOM 34 CG LYS A 3 8.374 -1.852 0.900 1.00 0.00 C ATOM 35 CD LYS A 3 8.669 -1.766 2.416 1.00 0.00 C ATOM 36 CE LYS A 3 8.095 -2.964 3.188 1.00 0.00 C ATOM 37 NZ LYS A 3 8.412 -2.892 4.637 1.00 0.00 N ATOM 0 HA LYS A 3 8.974 0.185 -1.830 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.192 -0.886 0.290 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.822 0.197 0.439 1.00 0.00 H new ATOM 0 HG2 LYS A 3 7.302 -1.738 0.736 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.648 -2.842 0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.747 -1.718 2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 3 8.247 -0.843 2.815 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.014 -2.998 3.054 1.00 0.00 H new ATOM 0 HE3 LYS A 3 8.497 -3.889 2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 7.833 -3.584 5.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 9.419 -3.105 4.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.206 -1.936 4.990 1.00 0.00 H new ATOM 51 N LYS A 4 11.284 -1.420 -1.804 1.00 0.00 N ATOM 52 CA LYS A 4 12.428 -2.041 -2.498 1.00 0.00 C ATOM 53 C LYS A 4 13.560 -2.363 -1.495 1.00 0.00 C ATOM 54 O LYS A 4 13.796 -1.627 -0.537 1.00 0.00 O ATOM 55 CB LYS A 4 12.892 -1.084 -3.654 1.00 0.00 C ATOM 56 CG LYS A 4 13.436 -1.752 -4.942 1.00 0.00 C ATOM 57 CD LYS A 4 14.826 -2.393 -4.785 1.00 0.00 C ATOM 58 CE LYS A 4 15.325 -3.037 -6.091 1.00 0.00 C ATOM 59 NZ LYS A 4 15.382 -2.063 -7.209 1.00 0.00 N ATOM 0 H LYS A 4 11.543 -0.813 -1.026 1.00 0.00 H new ATOM 0 HA LYS A 4 12.136 -2.993 -2.942 1.00 0.00 H new ATOM 0 HB2 LYS A 4 12.048 -0.452 -3.930 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.667 -0.427 -3.260 1.00 0.00 H new ATOM 0 HG2 LYS A 4 12.731 -2.517 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 4 13.481 -1.004 -5.734 1.00 0.00 H new ATOM 0 HD2 LYS A 4 15.539 -1.634 -4.462 1.00 0.00 H new ATOM 0 HD3 LYS A 4 14.788 -3.150 -4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.316 -3.461 -5.930 1.00 0.00 H new ATOM 0 HE3 LYS A 4 14.666 -3.862 -6.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 16.240 -2.231 -7.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.543 -2.178 -7.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.403 -1.096 -6.826 1.00 0.00 H new ATOM 73 N LEU A 5 14.231 -3.491 -1.725 1.00 0.00 N ATOM 74 CA LEU A 5 15.412 -3.926 -0.969 1.00 0.00 C ATOM 75 C LEU A 5 16.488 -4.331 -1.966 1.00 0.00 C ATOM 76 O LEU A 5 16.198 -4.959 -2.992 1.00 0.00 O ATOM 77 CB LEU A 5 15.070 -5.118 -0.021 1.00 0.00 C ATOM 78 CG LEU A 5 16.258 -5.712 0.851 1.00 0.00 C ATOM 79 CD1 LEU A 5 15.770 -6.184 2.228 1.00 0.00 C ATOM 80 CD2 LEU A 5 16.987 -6.888 0.159 1.00 0.00 C ATOM 0 H LEU A 5 13.964 -4.146 -2.460 1.00 0.00 H new ATOM 0 HA LEU A 5 15.765 -3.108 -0.341 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.281 -4.795 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 5 14.659 -5.925 -0.627 1.00 0.00 H new ATOM 0 HG LEU A 5 16.963 -4.889 0.969 1.00 0.00 H new ATOM 0 HD11 LEU A 5 16.611 -6.584 2.795 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.336 -5.343 2.768 1.00 0.00 H new ATOM 0 HD13 LEU A 5 15.017 -6.961 2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 5 17.787 -7.250 0.804 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.279 -7.695 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.409 -6.548 -0.787 1.00 0.00 H new ATOM 92 N ILE A 6 17.728 -3.949 -1.680 1.00 0.00 N ATOM 93 CA ILE A 6 18.896 -4.425 -2.418 1.00 0.00 C ATOM 94 C ILE A 6 19.930 -4.943 -1.412 1.00 0.00 C ATOM 95 O ILE A 6 19.835 -4.657 -0.209 1.00 0.00 O ATOM 96 CB ILE A 6 19.518 -3.312 -3.345 1.00 0.00 C ATOM 97 CG1 ILE A 6 20.234 -2.206 -2.525 1.00 0.00 C ATOM 98 CG2 ILE A 6 18.442 -2.707 -4.277 1.00 0.00 C ATOM 99 CD1 ILE A 6 20.865 -1.112 -3.358 1.00 0.00 C ATOM 0 H ILE A 6 17.954 -3.298 -0.928 1.00 0.00 H new ATOM 0 HA ILE A 6 18.583 -5.230 -3.083 1.00 0.00 H new ATOM 0 HB ILE A 6 20.276 -3.791 -3.964 1.00 0.00 H new ATOM 0 HG12 ILE A 6 19.514 -1.755 -1.842 1.00 0.00 H new ATOM 0 HG13 ILE A 6 21.007 -2.670 -1.912 1.00 0.00 H new ATOM 0 HG21 ILE A 6 18.895 -1.941 -4.907 1.00 0.00 H new ATOM 0 HG22 ILE A 6 18.022 -3.492 -4.906 1.00 0.00 H new ATOM 0 HG23 ILE A 6 17.650 -2.260 -3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 6 21.342 -0.384 -2.702 1.00 0.00 H new ATOM 0 HD12 ILE A 6 21.612 -1.546 -4.022 1.00 0.00 H new ATOM 0 HD13 ILE A 6 20.096 -0.617 -3.951 1.00 0.00 H new ATOM 111 N ALA A 7 20.903 -5.708 -1.898 1.00 0.00 N ATOM 112 CA ALA A 7 21.975 -6.249 -1.056 1.00 0.00 C ATOM 113 C ALA A 7 23.235 -6.469 -1.889 1.00 0.00 C ATOM 114 O ALA A 7 23.199 -6.414 -3.115 1.00 0.00 O ATOM 115 CB ALA A 7 21.523 -7.543 -0.354 1.00 0.00 C ATOM 0 H ALA A 7 20.974 -5.972 -2.881 1.00 0.00 H new ATOM 0 HA ALA A 7 22.209 -5.525 -0.275 1.00 0.00 H new ATOM 0 HB1 ALA A 7 22.336 -7.924 0.264 1.00 0.00 H new ATOM 0 HB2 ALA A 7 20.657 -7.333 0.274 1.00 0.00 H new ATOM 0 HB3 ALA A 7 21.256 -8.289 -1.103 1.00 0.00 H new ATOM 121 N LEU A 8 24.345 -6.729 -1.207 1.00 0.00 N ATOM 122 CA LEU A 8 25.646 -6.919 -1.840 1.00 0.00 C ATOM 123 C LEU A 8 26.360 -8.043 -1.094 1.00 0.00 C ATOM 124 O LEU A 8 26.592 -7.940 0.106 1.00 0.00 O ATOM 125 CB LEU A 8 26.463 -5.588 -1.807 1.00 0.00 C ATOM 126 CG LEU A 8 27.664 -5.440 -2.813 1.00 0.00 C ATOM 127 CD1 LEU A 8 28.240 -4.008 -2.782 1.00 0.00 C ATOM 128 CD2 LEU A 8 28.789 -6.457 -2.539 1.00 0.00 C ATOM 0 H LEU A 8 24.368 -6.815 -0.191 1.00 0.00 H new ATOM 0 HA LEU A 8 25.536 -7.192 -2.889 1.00 0.00 H new ATOM 0 HB2 LEU A 8 25.771 -4.766 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 8 26.854 -5.460 -0.798 1.00 0.00 H new ATOM 0 HG LEU A 8 27.261 -5.646 -3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 8 29.068 -3.934 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 8 27.462 -3.297 -3.060 1.00 0.00 H new ATOM 0 HD13 LEU A 8 28.597 -3.781 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 8 29.593 -6.313 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 8 29.175 -6.309 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 8 28.395 -7.469 -2.632 1.00 0.00 H new ATOM 140 N CYS A 9 26.706 -9.107 -1.818 1.00 0.00 N ATOM 141 CA CYS A 9 27.480 -10.226 -1.292 1.00 0.00 C ATOM 142 C CYS A 9 28.875 -10.215 -1.939 1.00 0.00 C ATOM 143 O CYS A 9 28.985 -10.404 -3.143 1.00 0.00 O ATOM 144 CB CYS A 9 26.714 -11.535 -1.574 1.00 0.00 C ATOM 145 SG CYS A 9 25.028 -11.537 -0.922 1.00 0.00 S ATOM 0 H CYS A 9 26.452 -9.215 -2.800 1.00 0.00 H new ATOM 0 HA CYS A 9 27.614 -10.143 -0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 9 26.679 -11.702 -2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 9 27.264 -12.370 -1.140 1.00 0.00 H new ATOM 0 HG CYS A 9 24.273 -12.283 -1.673 1.00 0.00 H new ATOM 151 N ALA A 10 29.936 -9.966 -1.140 1.00 0.00 N ATOM 152 CA ALA A 10 31.329 -9.840 -1.662 1.00 0.00 C ATOM 153 C ALA A 10 32.278 -10.802 -0.931 1.00 0.00 C ATOM 154 O ALA A 10 32.530 -10.652 0.273 1.00 0.00 O ATOM 155 CB ALA A 10 31.842 -8.391 -1.566 1.00 0.00 C ATOM 0 H ALA A 10 29.862 -9.847 -0.130 1.00 0.00 H new ATOM 0 HA ALA A 10 31.308 -10.114 -2.717 1.00 0.00 H new ATOM 0 HB1 ALA A 10 32.859 -8.338 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 10 31.195 -7.737 -2.151 1.00 0.00 H new ATOM 0 HB3 ALA A 10 31.835 -8.071 -0.524 1.00 0.00 H new ATOM 161 N CYS A 11 32.783 -11.806 -1.669 1.00 0.00 N ATOM 162 CA CYS A 11 33.699 -12.829 -1.145 1.00 0.00 C ATOM 163 C CYS A 11 35.018 -12.814 -1.934 1.00 0.00 C ATOM 164 O CYS A 11 34.992 -12.735 -3.164 1.00 0.00 O ATOM 165 CB CYS A 11 33.054 -14.224 -1.246 1.00 0.00 C ATOM 166 SG CYS A 11 34.097 -15.572 -0.671 1.00 0.00 S ATOM 0 H CYS A 11 32.563 -11.929 -2.657 1.00 0.00 H new ATOM 0 HA CYS A 11 33.905 -12.605 -0.098 1.00 0.00 H new ATOM 0 HB2 CYS A 11 32.129 -14.225 -0.669 1.00 0.00 H new ATOM 0 HB3 CYS A 11 32.782 -14.410 -2.285 1.00 0.00 H new ATOM 0 HG CYS A 11 33.408 -16.352 0.108 1.00 0.00 H new ATOM 172 N PRO A 12 36.196 -12.908 -1.241 1.00 0.00 N ATOM 173 CA PRO A 12 37.521 -13.006 -1.913 1.00 0.00 C ATOM 174 C PRO A 12 37.721 -14.363 -2.633 1.00 0.00 C ATOM 175 O PRO A 12 38.520 -14.470 -3.569 1.00 0.00 O ATOM 176 CB PRO A 12 38.513 -12.832 -0.732 1.00 0.00 C ATOM 177 CG PRO A 12 37.759 -13.353 0.454 1.00 0.00 C ATOM 178 CD PRO A 12 36.338 -12.902 0.247 1.00 0.00 C ATOM 0 HA PRO A 12 37.650 -12.267 -2.704 1.00 0.00 H new ATOM 0 HB2 PRO A 12 39.433 -13.392 -0.898 1.00 0.00 H new ATOM 0 HB3 PRO A 12 38.795 -11.788 -0.598 1.00 0.00 H new ATOM 0 HG2 PRO A 12 37.822 -14.439 0.515 1.00 0.00 H new ATOM 0 HG3 PRO A 12 38.166 -12.957 1.384 1.00 0.00 H new ATOM 0 HD2 PRO A 12 35.627 -13.577 0.723 1.00 0.00 H new ATOM 0 HD3 PRO A 12 36.164 -11.910 0.665 1.00 0.00 H new ATOM 186 N MET A 13 36.972 -15.386 -2.176 1.00 0.00 N ATOM 187 CA MET A 13 37.054 -16.756 -2.707 1.00 0.00 C ATOM 188 C MET A 13 36.440 -16.845 -4.113 1.00 0.00 C ATOM 189 O MET A 13 37.010 -17.484 -5.007 1.00 0.00 O ATOM 190 CB MET A 13 36.353 -17.748 -1.738 1.00 0.00 C ATOM 191 CG MET A 13 37.010 -17.879 -0.340 1.00 0.00 C ATOM 192 SD MET A 13 38.012 -19.382 -0.142 1.00 0.00 S ATOM 193 CE MET A 13 39.304 -19.185 -1.368 1.00 0.00 C ATOM 0 H MET A 13 36.291 -15.282 -1.424 1.00 0.00 H new ATOM 0 HA MET A 13 38.106 -17.028 -2.788 1.00 0.00 H new ATOM 0 HB2 MET A 13 35.318 -17.433 -1.607 1.00 0.00 H new ATOM 0 HB3 MET A 13 36.330 -18.733 -2.205 1.00 0.00 H new ATOM 0 HG2 MET A 13 37.639 -17.007 -0.161 1.00 0.00 H new ATOM 0 HG3 MET A 13 36.229 -17.870 0.421 1.00 0.00 H new ATOM 0 HE1 MET A 13 40.021 -20.000 -1.275 1.00 0.00 H new ATOM 0 HE2 MET A 13 38.865 -19.201 -2.365 1.00 0.00 H new ATOM 0 HE3 MET A 13 39.813 -18.234 -1.211 1.00 0.00 H new ATOM 203 N GLY A 14 35.278 -16.194 -4.300 1.00 0.00 N ATOM 204 CA GLY A 14 34.598 -16.189 -5.597 1.00 0.00 C ATOM 205 C GLY A 14 33.105 -15.912 -5.492 1.00 0.00 C ATOM 206 O GLY A 14 32.596 -15.588 -4.414 1.00 0.00 O ATOM 0 H GLY A 14 34.796 -15.669 -3.570 1.00 0.00 H new ATOM 0 HA2 GLY A 14 35.056 -15.435 -6.237 1.00 0.00 H new ATOM 0 HA3 GLY A 14 34.749 -17.153 -6.082 1.00 0.00 H new ATOM 210 N LEU A 15 32.407 -16.061 -6.633 1.00 0.00 N ATOM 211 CA LEU A 15 30.977 -15.743 -6.758 1.00 0.00 C ATOM 212 C LEU A 15 30.050 -16.874 -6.265 1.00 0.00 C ATOM 213 O LEU A 15 28.889 -16.613 -5.985 1.00 0.00 O ATOM 214 CB LEU A 15 30.636 -15.359 -8.223 1.00 0.00 C ATOM 215 CG LEU A 15 31.174 -13.977 -8.715 1.00 0.00 C ATOM 216 CD1 LEU A 15 30.800 -13.718 -10.196 1.00 0.00 C ATOM 217 CD2 LEU A 15 30.665 -12.838 -7.810 1.00 0.00 C ATOM 0 H LEU A 15 32.824 -16.407 -7.497 1.00 0.00 H new ATOM 0 HA LEU A 15 30.792 -14.891 -6.104 1.00 0.00 H new ATOM 0 HB2 LEU A 15 31.029 -16.134 -8.881 1.00 0.00 H new ATOM 0 HB3 LEU A 15 29.552 -15.365 -8.336 1.00 0.00 H new ATOM 0 HG LEU A 15 32.262 -14.003 -8.651 1.00 0.00 H new ATOM 0 HD11 LEU A 15 31.190 -12.748 -10.505 1.00 0.00 H new ATOM 0 HD12 LEU A 15 31.231 -14.499 -10.822 1.00 0.00 H new ATOM 0 HD13 LEU A 15 29.715 -13.724 -10.304 1.00 0.00 H new ATOM 0 HD21 LEU A 15 31.052 -11.885 -8.172 1.00 0.00 H new ATOM 0 HD22 LEU A 15 29.575 -12.818 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 15 31.007 -13.004 -6.789 1.00 0.00 H new ATOM 229 N ALA A 16 30.546 -18.111 -6.152 1.00 0.00 N ATOM 230 CA ALA A 16 29.704 -19.259 -5.730 1.00 0.00 C ATOM 231 C ALA A 16 29.164 -19.060 -4.291 1.00 0.00 C ATOM 232 O ALA A 16 27.976 -19.296 -4.007 1.00 0.00 O ATOM 233 CB ALA A 16 30.489 -20.567 -5.847 1.00 0.00 C ATOM 0 H ALA A 16 31.518 -18.352 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 16 28.844 -19.314 -6.397 1.00 0.00 H new ATOM 0 HB1 ALA A 16 29.858 -21.399 -5.534 1.00 0.00 H new ATOM 0 HB2 ALA A 16 30.798 -20.715 -6.882 1.00 0.00 H new ATOM 0 HB3 ALA A 16 31.371 -20.520 -5.208 1.00 0.00 H new ATOM 239 N HIS A 17 30.058 -18.571 -3.413 1.00 0.00 N ATOM 240 CA HIS A 17 29.749 -18.251 -2.004 1.00 0.00 C ATOM 241 C HIS A 17 28.747 -17.079 -1.933 1.00 0.00 C ATOM 242 O HIS A 17 27.771 -17.113 -1.157 1.00 0.00 O ATOM 243 CB HIS A 17 31.071 -17.898 -1.256 1.00 0.00 C ATOM 244 CG HIS A 17 30.960 -17.734 0.245 1.00 0.00 C ATOM 245 ND1 HIS A 17 31.573 -16.866 1.092 1.00 0.00 N flip ATOM 246 CD2 HIS A 17 30.187 -18.545 1.045 1.00 0.00 C flip ATOM 247 CE1 HIS A 17 31.152 -17.160 2.361 1.00 0.00 C flip ATOM 248 NE2 HIS A 17 30.318 -18.176 2.303 1.00 0.00 N flip ATOM 0 H HIS A 17 31.029 -18.384 -3.664 1.00 0.00 H new ATOM 0 HA HIS A 17 29.291 -19.115 -1.523 1.00 0.00 H new ATOM 0 HB2 HIS A 17 31.802 -18.679 -1.463 1.00 0.00 H new ATOM 0 HB3 HIS A 17 31.466 -16.972 -1.675 1.00 0.00 H new ATOM 0 HD2 HIS A 17 29.569 -19.358 0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 17 31.454 -16.644 3.260 1.00 0.00 H new ATOM 0 HE2 HIS A 17 29.850 -18.607 3.100 1.00 0.00 H new ATOM 257 N THR A 18 28.985 -16.066 -2.795 1.00 0.00 N ATOM 258 CA THR A 18 28.160 -14.849 -2.855 1.00 0.00 C ATOM 259 C THR A 18 26.738 -15.162 -3.369 1.00 0.00 C ATOM 260 O THR A 18 25.785 -14.509 -2.964 1.00 0.00 O ATOM 261 CB THR A 18 28.800 -13.744 -3.764 1.00 0.00 C ATOM 262 OG1 THR A 18 28.786 -14.130 -5.136 1.00 0.00 O ATOM 263 CG2 THR A 18 30.243 -13.419 -3.371 1.00 0.00 C ATOM 0 H THR A 18 29.754 -16.073 -3.465 1.00 0.00 H new ATOM 0 HA THR A 18 28.104 -14.469 -1.835 1.00 0.00 H new ATOM 0 HB THR A 18 28.188 -12.854 -3.617 1.00 0.00 H new ATOM 0 HG1 THR A 18 28.738 -15.107 -5.201 1.00 0.00 H new ATOM 0 HG21 THR A 18 30.636 -12.648 -4.034 1.00 0.00 H new ATOM 0 HG22 THR A 18 30.268 -13.060 -2.342 1.00 0.00 H new ATOM 0 HG23 THR A 18 30.855 -14.317 -3.457 1.00 0.00 H new ATOM 271 N PHE A 19 26.622 -16.165 -4.271 1.00 0.00 N ATOM 272 CA PHE A 19 25.335 -16.565 -4.882 1.00 0.00 C ATOM 273 C PHE A 19 24.453 -17.344 -3.893 1.00 0.00 C ATOM 274 O PHE A 19 23.226 -17.263 -3.978 1.00 0.00 O ATOM 275 CB PHE A 19 25.546 -17.389 -6.186 1.00 0.00 C ATOM 276 CG PHE A 19 26.112 -16.606 -7.378 1.00 0.00 C ATOM 277 CD1 PHE A 19 25.811 -15.259 -7.564 1.00 0.00 C ATOM 278 CD2 PHE A 19 26.931 -17.232 -8.320 1.00 0.00 C ATOM 279 CE1 PHE A 19 26.318 -14.564 -8.641 1.00 0.00 C ATOM 280 CE2 PHE A 19 27.435 -16.534 -9.400 1.00 0.00 C ATOM 281 CZ PHE A 19 27.125 -15.200 -9.561 1.00 0.00 C ATOM 0 H PHE A 19 27.416 -16.717 -4.594 1.00 0.00 H new ATOM 0 HA PHE A 19 24.816 -15.643 -5.145 1.00 0.00 H new ATOM 0 HB2 PHE A 19 26.218 -18.218 -5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 19 24.590 -17.823 -6.480 1.00 0.00 H new ATOM 0 HD1 PHE A 19 25.172 -14.753 -6.855 1.00 0.00 H new ATOM 0 HD2 PHE A 19 27.174 -18.278 -8.202 1.00 0.00 H new ATOM 0 HE1 PHE A 19 26.082 -13.517 -8.765 1.00 0.00 H new ATOM 0 HE2 PHE A 19 28.071 -17.032 -10.117 1.00 0.00 H new ATOM 0 HZ PHE A 19 27.514 -14.653 -10.407 1.00 0.00 H new ATOM 291 N MET A 20 25.075 -18.105 -2.965 1.00 0.00 N ATOM 292 CA MET A 20 24.326 -18.768 -1.867 1.00 0.00 C ATOM 293 C MET A 20 23.701 -17.713 -0.936 1.00 0.00 C ATOM 294 O MET A 20 22.546 -17.843 -0.513 1.00 0.00 O ATOM 295 CB MET A 20 25.228 -19.730 -1.051 1.00 0.00 C ATOM 296 CG MET A 20 25.800 -20.907 -1.854 1.00 0.00 C ATOM 297 SD MET A 20 26.620 -22.140 -0.820 1.00 0.00 S ATOM 298 CE MET A 20 27.817 -21.142 0.060 1.00 0.00 C ATOM 0 H MET A 20 26.081 -18.276 -2.951 1.00 0.00 H new ATOM 0 HA MET A 20 23.535 -19.363 -2.323 1.00 0.00 H new ATOM 0 HB2 MET A 20 26.055 -19.160 -0.628 1.00 0.00 H new ATOM 0 HB3 MET A 20 24.652 -20.124 -0.214 1.00 0.00 H new ATOM 0 HG2 MET A 20 24.994 -21.386 -2.409 1.00 0.00 H new ATOM 0 HG3 MET A 20 26.511 -20.527 -2.588 1.00 0.00 H new ATOM 0 HE1 MET A 20 28.801 -21.605 -0.013 1.00 0.00 H new ATOM 0 HE2 MET A 20 27.852 -20.145 -0.378 1.00 0.00 H new ATOM 0 HE3 MET A 20 27.528 -21.068 1.108 1.00 0.00 H new ATOM 308 N ALA A 21 24.485 -16.656 -0.653 1.00 0.00 N ATOM 309 CA ALA A 21 24.017 -15.492 0.124 1.00 0.00 C ATOM 310 C ALA A 21 22.951 -14.695 -0.649 1.00 0.00 C ATOM 311 O ALA A 21 21.972 -14.235 -0.070 1.00 0.00 O ATOM 312 CB ALA A 21 25.204 -14.593 0.479 1.00 0.00 C ATOM 0 H ALA A 21 25.457 -16.584 -0.955 1.00 0.00 H new ATOM 0 HA ALA A 21 23.556 -15.856 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 21 24.852 -13.735 1.053 1.00 0.00 H new ATOM 0 HB2 ALA A 21 25.923 -15.157 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 21 25.684 -14.245 -0.436 1.00 0.00 H new ATOM 318 N ALA A 22 23.151 -14.580 -1.974 1.00 0.00 N ATOM 319 CA ALA A 22 22.244 -13.842 -2.870 1.00 0.00 C ATOM 320 C ALA A 22 20.896 -14.563 -3.006 1.00 0.00 C ATOM 321 O ALA A 22 19.866 -13.924 -3.153 1.00 0.00 O ATOM 322 CB ALA A 22 22.889 -13.645 -4.250 1.00 0.00 C ATOM 0 H ALA A 22 23.948 -14.997 -2.454 1.00 0.00 H new ATOM 0 HA ALA A 22 22.061 -12.862 -2.429 1.00 0.00 H new ATOM 0 HB1 ALA A 22 22.204 -13.098 -4.897 1.00 0.00 H new ATOM 0 HB2 ALA A 22 23.815 -13.080 -4.142 1.00 0.00 H new ATOM 0 HB3 ALA A 22 23.107 -14.617 -4.692 1.00 0.00 H new ATOM 328 N GLN A 23 20.924 -15.899 -2.944 1.00 0.00 N ATOM 329 CA GLN A 23 19.713 -16.727 -3.009 1.00 0.00 C ATOM 330 C GLN A 23 18.947 -16.635 -1.681 1.00 0.00 C ATOM 331 O GLN A 23 17.724 -16.478 -1.672 1.00 0.00 O ATOM 332 CB GLN A 23 20.081 -18.197 -3.336 1.00 0.00 C ATOM 333 CG GLN A 23 18.881 -19.167 -3.447 1.00 0.00 C ATOM 334 CD GLN A 23 17.821 -18.703 -4.451 1.00 0.00 C ATOM 335 OE1 GLN A 23 16.790 -18.013 -3.981 1.00 0.00 O flip ATOM 336 NE2 GLN A 23 17.916 -18.991 -5.640 1.00 0.00 N flip ATOM 0 H GLN A 23 21.785 -16.437 -2.847 1.00 0.00 H new ATOM 0 HA GLN A 23 19.069 -16.356 -3.807 1.00 0.00 H new ATOM 0 HB2 GLN A 23 20.632 -18.216 -4.277 1.00 0.00 H new ATOM 0 HB3 GLN A 23 20.756 -18.566 -2.564 1.00 0.00 H new ATOM 0 HG2 GLN A 23 19.244 -20.152 -3.741 1.00 0.00 H new ATOM 0 HG3 GLN A 23 18.419 -19.277 -2.466 1.00 0.00 H new ATOM 0 HE21 GLN A 23 18.720 -19.523 -5.973 1.00 0.00 H new ATOM 0 HE22 GLN A 23 17.191 -18.699 -6.295 1.00 0.00 H new ATOM 345 N ALA A 24 19.692 -16.690 -0.571 1.00 0.00 N ATOM 346 CA ALA A 24 19.118 -16.692 0.778 1.00 0.00 C ATOM 347 C ALA A 24 18.422 -15.345 1.101 1.00 0.00 C ATOM 348 O ALA A 24 17.254 -15.323 1.526 1.00 0.00 O ATOM 349 CB ALA A 24 20.215 -17.032 1.799 1.00 0.00 C ATOM 0 H ALA A 24 20.711 -16.734 -0.584 1.00 0.00 H new ATOM 0 HA ALA A 24 18.344 -17.457 0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 24 19.790 -17.034 2.803 1.00 0.00 H new ATOM 0 HB2 ALA A 24 20.626 -18.017 1.577 1.00 0.00 H new ATOM 0 HB3 ALA A 24 21.008 -16.287 1.742 1.00 0.00 H new ATOM 355 N LEU A 25 19.152 -14.231 0.878 1.00 0.00 N ATOM 356 CA LEU A 25 18.633 -12.857 1.085 1.00 0.00 C ATOM 357 C LEU A 25 17.465 -12.551 0.136 1.00 0.00 C ATOM 358 O LEU A 25 16.554 -11.800 0.499 1.00 0.00 O ATOM 359 CB LEU A 25 19.744 -11.794 0.875 1.00 0.00 C ATOM 360 CG LEU A 25 20.916 -11.808 1.897 1.00 0.00 C ATOM 361 CD1 LEU A 25 21.981 -10.759 1.522 1.00 0.00 C ATOM 362 CD2 LEU A 25 20.408 -11.585 3.337 1.00 0.00 C ATOM 0 H LEU A 25 20.117 -14.256 0.550 1.00 0.00 H new ATOM 0 HA LEU A 25 18.281 -12.808 2.115 1.00 0.00 H new ATOM 0 HB2 LEU A 25 20.160 -11.927 -0.124 1.00 0.00 H new ATOM 0 HB3 LEU A 25 19.282 -10.807 0.899 1.00 0.00 H new ATOM 0 HG LEU A 25 21.379 -12.794 1.858 1.00 0.00 H new ATOM 0 HD11 LEU A 25 22.791 -10.787 2.251 1.00 0.00 H new ATOM 0 HD12 LEU A 25 22.377 -10.980 0.531 1.00 0.00 H new ATOM 0 HD13 LEU A 25 21.529 -9.767 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 25 21.252 -11.600 4.027 1.00 0.00 H new ATOM 0 HD22 LEU A 25 19.905 -10.620 3.400 1.00 0.00 H new ATOM 0 HD23 LEU A 25 19.708 -12.377 3.603 1.00 0.00 H new ATOM 374 N GLU A 26 17.533 -13.116 -1.089 1.00 0.00 N ATOM 375 CA GLU A 26 16.447 -13.020 -2.079 1.00 0.00 C ATOM 376 C GLU A 26 15.137 -13.557 -1.491 1.00 0.00 C ATOM 377 O GLU A 26 14.156 -12.818 -1.398 1.00 0.00 O ATOM 378 CB GLU A 26 16.818 -13.798 -3.362 1.00 0.00 C ATOM 379 CG GLU A 26 15.736 -13.835 -4.464 1.00 0.00 C ATOM 380 CD GLU A 26 16.112 -14.758 -5.633 1.00 0.00 C ATOM 381 OE1 GLU A 26 16.979 -14.371 -6.444 1.00 0.00 O ATOM 382 OE2 GLU A 26 15.557 -15.876 -5.735 1.00 0.00 O ATOM 0 H GLU A 26 18.340 -13.648 -1.415 1.00 0.00 H new ATOM 0 HA GLU A 26 16.307 -11.970 -2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 26 17.722 -13.358 -3.782 1.00 0.00 H new ATOM 0 HB3 GLU A 26 17.062 -14.823 -3.084 1.00 0.00 H new ATOM 0 HG2 GLU A 26 14.793 -14.170 -4.031 1.00 0.00 H new ATOM 0 HG3 GLU A 26 15.573 -12.826 -4.841 1.00 0.00 H new ATOM 389 N GLU A 27 15.184 -14.830 -1.036 1.00 0.00 N ATOM 390 CA GLU A 27 14.034 -15.540 -0.437 1.00 0.00 C ATOM 391 C GLU A 27 13.411 -14.725 0.706 1.00 0.00 C ATOM 392 O GLU A 27 12.208 -14.482 0.713 1.00 0.00 O ATOM 393 CB GLU A 27 14.483 -16.934 0.088 1.00 0.00 C ATOM 394 CG GLU A 27 14.944 -17.910 -1.007 1.00 0.00 C ATOM 395 CD GLU A 27 15.490 -19.232 -0.443 1.00 0.00 C ATOM 396 OE1 GLU A 27 16.698 -19.298 -0.121 1.00 0.00 O ATOM 397 OE2 GLU A 27 14.709 -20.200 -0.304 1.00 0.00 O ATOM 0 H GLU A 27 16.031 -15.398 -1.075 1.00 0.00 H new ATOM 0 HA GLU A 27 13.278 -15.671 -1.211 1.00 0.00 H new ATOM 0 HB2 GLU A 27 15.297 -16.795 0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 27 13.655 -17.386 0.635 1.00 0.00 H new ATOM 0 HG2 GLU A 27 14.107 -18.123 -1.672 1.00 0.00 H new ATOM 0 HG3 GLU A 27 15.716 -17.432 -1.610 1.00 0.00 H new ATOM 404 N ALA A 28 14.280 -14.254 1.606 1.00 0.00 N ATOM 405 CA ALA A 28 13.900 -13.487 2.804 1.00 0.00 C ATOM 406 C ALA A 28 13.136 -12.197 2.451 1.00 0.00 C ATOM 407 O ALA A 28 12.065 -11.914 3.009 1.00 0.00 O ATOM 408 CB ALA A 28 15.164 -13.156 3.593 1.00 0.00 C ATOM 0 H ALA A 28 15.287 -14.396 1.524 1.00 0.00 H new ATOM 0 HA ALA A 28 13.225 -14.097 3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 28 14.898 -12.587 4.484 1.00 0.00 H new ATOM 0 HB2 ALA A 28 15.662 -14.080 3.887 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.836 -12.564 2.972 1.00 0.00 H new ATOM 414 N ALA A 29 13.704 -11.433 1.507 1.00 0.00 N ATOM 415 CA ALA A 29 13.110 -10.178 1.011 1.00 0.00 C ATOM 416 C ALA A 29 11.787 -10.402 0.243 1.00 0.00 C ATOM 417 O ALA A 29 10.923 -9.515 0.219 1.00 0.00 O ATOM 418 CB ALA A 29 14.123 -9.435 0.139 1.00 0.00 C ATOM 0 H ALA A 29 14.592 -11.667 1.063 1.00 0.00 H new ATOM 0 HA ALA A 29 12.860 -9.570 1.881 1.00 0.00 H new ATOM 0 HB1 ALA A 29 13.679 -8.508 -0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 29 15.011 -9.205 0.728 1.00 0.00 H new ATOM 0 HB3 ALA A 29 14.402 -10.061 -0.708 1.00 0.00 H new ATOM 424 N VAL A 30 11.616 -11.600 -0.348 1.00 0.00 N ATOM 425 CA VAL A 30 10.381 -11.956 -1.080 1.00 0.00 C ATOM 426 C VAL A 30 9.240 -12.178 -0.066 1.00 0.00 C ATOM 427 O VAL A 30 8.096 -11.762 -0.286 1.00 0.00 O ATOM 428 CB VAL A 30 10.594 -13.241 -1.976 1.00 0.00 C ATOM 429 CG1 VAL A 30 9.261 -13.778 -2.547 1.00 0.00 C ATOM 430 CG2 VAL A 30 11.587 -12.957 -3.128 1.00 0.00 C ATOM 0 H VAL A 30 12.318 -12.340 -0.334 1.00 0.00 H new ATOM 0 HA VAL A 30 10.118 -11.137 -1.750 1.00 0.00 H new ATOM 0 HB VAL A 30 11.014 -14.010 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.455 -14.661 -3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 30 8.594 -14.043 -1.726 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.793 -13.009 -3.162 1.00 0.00 H new ATOM 0 HG21 VAL A 30 11.715 -13.858 -3.728 1.00 0.00 H new ATOM 0 HG22 VAL A 30 11.197 -12.155 -3.755 1.00 0.00 H new ATOM 0 HG23 VAL A 30 12.550 -12.658 -2.713 1.00 0.00 H new ATOM 440 N GLU A 31 9.605 -12.792 1.065 1.00 0.00 N ATOM 441 CA GLU A 31 8.688 -13.073 2.184 1.00 0.00 C ATOM 442 C GLU A 31 8.310 -11.776 2.930 1.00 0.00 C ATOM 443 O GLU A 31 7.281 -11.713 3.603 1.00 0.00 O ATOM 444 CB GLU A 31 9.367 -14.091 3.135 1.00 0.00 C ATOM 445 CG GLU A 31 9.828 -15.379 2.420 1.00 0.00 C ATOM 446 CD GLU A 31 8.679 -16.319 2.032 1.00 0.00 C ATOM 447 OE1 GLU A 31 8.308 -17.185 2.853 1.00 0.00 O ATOM 448 OE2 GLU A 31 8.139 -16.200 0.904 1.00 0.00 O ATOM 0 H GLU A 31 10.558 -13.114 1.235 1.00 0.00 H new ATOM 0 HA GLU A 31 7.761 -13.499 1.800 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.228 -13.618 3.608 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.671 -14.355 3.931 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.381 -15.106 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.520 -15.915 3.069 1.00 0.00 H new ATOM 455 N ALA A 32 9.167 -10.748 2.800 1.00 0.00 N ATOM 456 CA ALA A 32 8.906 -9.406 3.340 1.00 0.00 C ATOM 457 C ALA A 32 8.007 -8.585 2.383 1.00 0.00 C ATOM 458 O ALA A 32 7.394 -7.594 2.796 1.00 0.00 O ATOM 459 CB ALA A 32 10.227 -8.696 3.615 1.00 0.00 C ATOM 0 H ALA A 32 10.061 -10.827 2.316 1.00 0.00 H new ATOM 0 HA ALA A 32 8.364 -9.503 4.281 1.00 0.00 H new ATOM 0 HB1 ALA A 32 10.029 -7.702 4.015 1.00 0.00 H new ATOM 0 HB2 ALA A 32 10.805 -9.270 4.339 1.00 0.00 H new ATOM 0 HB3 ALA A 32 10.793 -8.608 2.687 1.00 0.00 H new ATOM 465 N GLY A 33 7.953 -8.992 1.099 1.00 0.00 N ATOM 466 CA GLY A 33 6.951 -8.477 0.152 1.00 0.00 C ATOM 467 C GLY A 33 7.538 -7.643 -0.974 1.00 0.00 C ATOM 468 O GLY A 33 7.064 -7.707 -2.118 1.00 0.00 O ATOM 0 H GLY A 33 8.593 -9.676 0.696 1.00 0.00 H new ATOM 0 HA2 GLY A 33 6.406 -9.318 -0.278 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.226 -7.873 0.698 1.00 0.00 H new ATOM 472 N TYR A 34 8.563 -6.849 -0.645 1.00 0.00 N ATOM 473 CA TYR A 34 9.183 -5.894 -1.591 1.00 0.00 C ATOM 474 C TYR A 34 10.098 -6.567 -2.624 1.00 0.00 C ATOM 475 O TYR A 34 10.365 -7.777 -2.568 1.00 0.00 O ATOM 476 CB TYR A 34 9.951 -4.759 -0.848 1.00 0.00 C ATOM 477 CG TYR A 34 10.850 -5.118 0.350 1.00 0.00 C ATOM 478 CD1 TYR A 34 11.365 -6.397 0.560 1.00 0.00 C ATOM 479 CD2 TYR A 34 11.143 -4.147 1.305 1.00 0.00 C ATOM 480 CE1 TYR A 34 12.115 -6.682 1.673 1.00 0.00 C ATOM 481 CE2 TYR A 34 11.901 -4.428 2.404 1.00 0.00 C ATOM 482 CZ TYR A 34 12.374 -5.699 2.593 1.00 0.00 C ATOM 483 OH TYR A 34 13.101 -5.994 3.717 1.00 0.00 O ATOM 0 H TYR A 34 8.991 -6.845 0.281 1.00 0.00 H new ATOM 0 HA TYR A 34 8.352 -5.453 -2.141 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.573 -4.248 -1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.212 -4.037 -0.499 1.00 0.00 H new ATOM 0 HD1 TYR A 34 11.171 -7.174 -0.164 1.00 0.00 H new ATOM 0 HD2 TYR A 34 10.760 -3.146 1.172 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.501 -7.679 1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 34 12.127 -3.652 3.121 1.00 0.00 H new ATOM 0 HH TYR A 34 12.503 -6.338 4.413 1.00 0.00 H new ATOM 493 N GLU A 35 10.573 -5.727 -3.562 1.00 0.00 N ATOM 494 CA GLU A 35 11.494 -6.137 -4.637 1.00 0.00 C ATOM 495 C GLU A 35 12.894 -6.391 -4.046 1.00 0.00 C ATOM 496 O GLU A 35 13.251 -5.793 -3.031 1.00 0.00 O ATOM 497 CB GLU A 35 11.536 -5.016 -5.722 1.00 0.00 C ATOM 498 CG GLU A 35 12.446 -5.285 -6.945 1.00 0.00 C ATOM 499 CD GLU A 35 12.080 -6.559 -7.727 1.00 0.00 C ATOM 500 OE1 GLU A 35 11.100 -6.532 -8.502 1.00 0.00 O ATOM 501 OE2 GLU A 35 12.764 -7.590 -7.564 1.00 0.00 O ATOM 0 H GLU A 35 10.326 -4.738 -3.595 1.00 0.00 H new ATOM 0 HA GLU A 35 11.149 -7.061 -5.101 1.00 0.00 H new ATOM 0 HB2 GLU A 35 10.521 -4.848 -6.081 1.00 0.00 H new ATOM 0 HB3 GLU A 35 11.864 -4.091 -5.247 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.395 -4.430 -7.619 1.00 0.00 H new ATOM 0 HG3 GLU A 35 13.479 -5.363 -6.607 1.00 0.00 H new ATOM 508 N VAL A 36 13.673 -7.284 -4.677 1.00 0.00 N ATOM 509 CA VAL A 36 15.026 -7.634 -4.218 1.00 0.00 C ATOM 510 C VAL A 36 16.009 -7.695 -5.408 1.00 0.00 C ATOM 511 O VAL A 36 15.736 -8.341 -6.425 1.00 0.00 O ATOM 512 CB VAL A 36 15.019 -8.983 -3.402 1.00 0.00 C ATOM 513 CG1 VAL A 36 14.517 -10.187 -4.236 1.00 0.00 C ATOM 514 CG2 VAL A 36 16.404 -9.272 -2.779 1.00 0.00 C ATOM 0 H VAL A 36 13.383 -7.783 -5.518 1.00 0.00 H new ATOM 0 HA VAL A 36 15.370 -6.850 -3.544 1.00 0.00 H new ATOM 0 HB VAL A 36 14.304 -8.848 -2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 36 14.534 -11.087 -3.622 1.00 0.00 H new ATOM 0 HG12 VAL A 36 13.498 -9.997 -4.573 1.00 0.00 H new ATOM 0 HG13 VAL A 36 15.165 -10.326 -5.101 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.365 -10.209 -2.223 1.00 0.00 H new ATOM 0 HG22 VAL A 36 17.150 -9.350 -3.570 1.00 0.00 H new ATOM 0 HG23 VAL A 36 16.676 -8.461 -2.104 1.00 0.00 H new ATOM 524 N LYS A 37 17.142 -6.984 -5.272 1.00 0.00 N ATOM 525 CA LYS A 37 18.232 -6.984 -6.267 1.00 0.00 C ATOM 526 C LYS A 37 19.579 -7.048 -5.535 1.00 0.00 C ATOM 527 O LYS A 37 19.920 -6.132 -4.795 1.00 0.00 O ATOM 528 CB LYS A 37 18.169 -5.717 -7.155 1.00 0.00 C ATOM 529 CG LYS A 37 19.257 -5.666 -8.253 1.00 0.00 C ATOM 530 CD LYS A 37 19.030 -6.647 -9.408 1.00 0.00 C ATOM 531 CE LYS A 37 20.199 -6.625 -10.404 1.00 0.00 C ATOM 532 NZ LYS A 37 19.890 -7.370 -11.648 1.00 0.00 N ATOM 0 H LYS A 37 17.330 -6.389 -4.465 1.00 0.00 H new ATOM 0 HA LYS A 37 18.121 -7.854 -6.914 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.188 -5.665 -7.627 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.265 -4.836 -6.521 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.305 -4.654 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.226 -5.875 -7.799 1.00 0.00 H new ATOM 0 HD2 LYS A 37 18.907 -7.655 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.105 -6.393 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 37 20.443 -5.592 -10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 37 21.083 -7.057 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 20.313 -6.878 -12.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 20.281 -8.331 -11.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 18.859 -7.423 -11.774 1.00 0.00 H new ATOM 546 N ILE A 38 20.331 -8.141 -5.714 1.00 0.00 N ATOM 547 CA ILE A 38 21.584 -8.376 -4.967 1.00 0.00 C ATOM 548 C ILE A 38 22.806 -8.472 -5.901 1.00 0.00 C ATOM 549 O ILE A 38 22.941 -9.449 -6.643 1.00 0.00 O ATOM 550 CB ILE A 38 21.441 -9.698 -4.132 1.00 0.00 C ATOM 551 CG1 ILE A 38 20.151 -9.618 -3.246 1.00 0.00 C ATOM 552 CG2 ILE A 38 22.703 -9.971 -3.265 1.00 0.00 C ATOM 553 CD1 ILE A 38 19.681 -10.930 -2.682 1.00 0.00 C ATOM 0 H ILE A 38 20.096 -8.884 -6.373 1.00 0.00 H new ATOM 0 HA ILE A 38 21.751 -7.526 -4.306 1.00 0.00 H new ATOM 0 HB ILE A 38 21.348 -10.536 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 38 20.338 -8.932 -2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 38 19.346 -9.187 -3.842 1.00 0.00 H new ATOM 0 HG21 ILE A 38 22.565 -10.894 -2.702 1.00 0.00 H new ATOM 0 HG22 ILE A 38 23.575 -10.067 -3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 38 22.855 -9.143 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 38 18.784 -10.769 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 38 19.455 -11.617 -3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 38 20.463 -11.357 -2.054 1.00 0.00 H new ATOM 565 N GLU A 39 23.693 -7.460 -5.832 1.00 0.00 N ATOM 566 CA GLU A 39 25.002 -7.479 -6.519 1.00 0.00 C ATOM 567 C GLU A 39 25.936 -8.452 -5.795 1.00 0.00 C ATOM 568 O GLU A 39 25.834 -8.631 -4.579 1.00 0.00 O ATOM 569 CB GLU A 39 25.622 -6.051 -6.549 1.00 0.00 C ATOM 570 CG GLU A 39 27.002 -5.940 -7.228 1.00 0.00 C ATOM 571 CD GLU A 39 27.593 -4.513 -7.185 1.00 0.00 C ATOM 572 OE1 GLU A 39 27.056 -3.624 -7.882 1.00 0.00 O ATOM 573 OE2 GLU A 39 28.587 -4.284 -6.464 1.00 0.00 O ATOM 0 H GLU A 39 23.524 -6.607 -5.299 1.00 0.00 H new ATOM 0 HA GLU A 39 24.864 -7.809 -7.549 1.00 0.00 H new ATOM 0 HB2 GLU A 39 24.929 -5.384 -7.062 1.00 0.00 H new ATOM 0 HB3 GLU A 39 25.711 -5.691 -5.524 1.00 0.00 H new ATOM 0 HG2 GLU A 39 27.694 -6.627 -6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 39 26.914 -6.258 -8.267 1.00 0.00 H new ATOM 580 N THR A 40 26.829 -9.084 -6.556 1.00 0.00 N ATOM 581 CA THR A 40 27.768 -10.086 -6.050 1.00 0.00 C ATOM 582 C THR A 40 29.170 -9.788 -6.602 1.00 0.00 C ATOM 583 O THR A 40 29.351 -9.712 -7.811 1.00 0.00 O ATOM 584 CB THR A 40 27.302 -11.525 -6.456 1.00 0.00 C ATOM 585 OG1 THR A 40 26.972 -11.560 -7.850 1.00 0.00 O ATOM 586 CG2 THR A 40 26.089 -12.000 -5.630 1.00 0.00 C ATOM 0 H THR A 40 26.922 -8.912 -7.557 1.00 0.00 H new ATOM 0 HA THR A 40 27.798 -10.041 -4.961 1.00 0.00 H new ATOM 0 HB THR A 40 28.132 -12.202 -6.251 1.00 0.00 H new ATOM 0 HG1 THR A 40 26.003 -11.663 -7.954 1.00 0.00 H new ATOM 0 HG21 THR A 40 25.803 -13.003 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 40 26.353 -12.016 -4.572 1.00 0.00 H new ATOM 0 HG23 THR A 40 25.253 -11.318 -5.785 1.00 0.00 H new ATOM 594 N GLN A 41 30.152 -9.589 -5.706 1.00 0.00 N ATOM 595 CA GLN A 41 31.552 -9.296 -6.073 1.00 0.00 C ATOM 596 C GLN A 41 32.434 -10.472 -5.615 1.00 0.00 C ATOM 597 O GLN A 41 32.283 -10.959 -4.492 1.00 0.00 O ATOM 598 CB GLN A 41 32.008 -7.963 -5.414 1.00 0.00 C ATOM 599 CG GLN A 41 31.020 -6.795 -5.619 1.00 0.00 C ATOM 600 CD GLN A 41 31.520 -5.468 -5.048 1.00 0.00 C ATOM 601 OE1 GLN A 41 31.335 -5.172 -3.886 1.00 0.00 O ATOM 602 NE2 GLN A 41 32.133 -4.646 -5.862 1.00 0.00 N ATOM 0 H GLN A 41 29.997 -9.627 -4.699 1.00 0.00 H new ATOM 0 HA GLN A 41 31.643 -9.179 -7.153 1.00 0.00 H new ATOM 0 HB2 GLN A 41 32.146 -8.126 -4.345 1.00 0.00 H new ATOM 0 HB3 GLN A 41 32.979 -7.681 -5.822 1.00 0.00 H new ATOM 0 HG2 GLN A 41 30.829 -6.674 -6.685 1.00 0.00 H new ATOM 0 HG3 GLN A 41 30.069 -7.048 -5.151 1.00 0.00 H new ATOM 0 HE21 GLN A 41 32.281 -4.909 -6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 41 32.462 -3.743 -5.522 1.00 0.00 H new ATOM 611 N GLY A 42 33.338 -10.931 -6.492 1.00 0.00 N ATOM 612 CA GLY A 42 34.182 -12.091 -6.205 1.00 0.00 C ATOM 613 C GLY A 42 35.394 -12.173 -7.115 1.00 0.00 C ATOM 614 O GLY A 42 35.569 -11.328 -8.002 1.00 0.00 O ATOM 0 H GLY A 42 33.501 -10.512 -7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 42 34.514 -12.046 -5.168 1.00 0.00 H new ATOM 0 HA3 GLY A 42 33.591 -13.001 -6.311 1.00 0.00 H new ATOM 618 N ALA A 43 36.215 -13.219 -6.896 1.00 0.00 N ATOM 619 CA ALA A 43 37.443 -13.484 -7.679 1.00 0.00 C ATOM 620 C ALA A 43 37.136 -13.746 -9.175 1.00 0.00 C ATOM 621 O ALA A 43 38.001 -13.558 -10.035 1.00 0.00 O ATOM 622 CB ALA A 43 38.199 -14.673 -7.061 1.00 0.00 C ATOM 0 H ALA A 43 36.045 -13.910 -6.166 1.00 0.00 H new ATOM 0 HA ALA A 43 38.069 -12.593 -7.638 1.00 0.00 H new ATOM 0 HB1 ALA A 43 39.103 -14.868 -7.637 1.00 0.00 H new ATOM 0 HB2 ALA A 43 38.469 -14.437 -6.032 1.00 0.00 H new ATOM 0 HB3 ALA A 43 37.561 -15.557 -7.076 1.00 0.00 H new ATOM 628 N ASP A 44 35.898 -14.193 -9.455 1.00 0.00 N ATOM 629 CA ASP A 44 35.403 -14.426 -10.830 1.00 0.00 C ATOM 630 C ASP A 44 35.075 -13.086 -11.522 1.00 0.00 C ATOM 631 O ASP A 44 35.287 -12.924 -12.725 1.00 0.00 O ATOM 632 CB ASP A 44 34.130 -15.314 -10.802 1.00 0.00 C ATOM 633 CG ASP A 44 34.329 -16.652 -10.077 1.00 0.00 C ATOM 634 OD1 ASP A 44 34.459 -16.636 -8.837 1.00 0.00 O ATOM 635 OD2 ASP A 44 34.362 -17.714 -10.731 1.00 0.00 O ATOM 0 H ASP A 44 35.208 -14.404 -8.734 1.00 0.00 H new ATOM 0 HA ASP A 44 36.187 -14.935 -11.390 1.00 0.00 H new ATOM 0 HB2 ASP A 44 33.324 -14.764 -10.316 1.00 0.00 H new ATOM 0 HB3 ASP A 44 33.811 -15.509 -11.826 1.00 0.00 H new ATOM 640 N GLY A 45 34.550 -12.138 -10.724 1.00 0.00 N ATOM 641 CA GLY A 45 34.127 -10.821 -11.208 1.00 0.00 C ATOM 642 C GLY A 45 32.939 -10.297 -10.422 1.00 0.00 C ATOM 643 O GLY A 45 32.732 -10.698 -9.273 1.00 0.00 O ATOM 0 H GLY A 45 34.409 -12.269 -9.722 1.00 0.00 H new ATOM 0 HA2 GLY A 45 34.957 -10.119 -11.128 1.00 0.00 H new ATOM 0 HA3 GLY A 45 33.866 -10.887 -12.264 1.00 0.00 H new ATOM 647 N ILE A 46 32.161 -9.385 -11.026 1.00 0.00 N ATOM 648 CA ILE A 46 30.905 -8.878 -10.438 1.00 0.00 C ATOM 649 C ILE A 46 29.718 -9.347 -11.294 1.00 0.00 C ATOM 650 O ILE A 46 29.808 -9.389 -12.526 1.00 0.00 O ATOM 651 CB ILE A 46 30.904 -7.305 -10.292 1.00 0.00 C ATOM 652 CG1 ILE A 46 32.090 -6.861 -9.371 1.00 0.00 C ATOM 653 CG2 ILE A 46 29.548 -6.774 -9.744 1.00 0.00 C ATOM 654 CD1 ILE A 46 32.273 -5.368 -9.229 1.00 0.00 C ATOM 0 H ILE A 46 32.382 -8.977 -11.934 1.00 0.00 H new ATOM 0 HA ILE A 46 30.814 -9.283 -9.430 1.00 0.00 H new ATOM 0 HB ILE A 46 31.037 -6.871 -11.283 1.00 0.00 H new ATOM 0 HG12 ILE A 46 31.938 -7.288 -8.380 1.00 0.00 H new ATOM 0 HG13 ILE A 46 33.013 -7.288 -9.764 1.00 0.00 H new ATOM 0 HG21 ILE A 46 29.590 -5.688 -9.659 1.00 0.00 H new ATOM 0 HG22 ILE A 46 28.745 -7.054 -10.426 1.00 0.00 H new ATOM 0 HG23 ILE A 46 29.357 -7.208 -8.762 1.00 0.00 H new ATOM 0 HD11 ILE A 46 33.119 -5.166 -8.572 1.00 0.00 H new ATOM 0 HD12 ILE A 46 32.462 -4.930 -10.209 1.00 0.00 H new ATOM 0 HD13 ILE A 46 31.370 -4.930 -8.803 1.00 0.00 H new ATOM 666 N GLN A 47 28.618 -9.702 -10.622 1.00 0.00 N ATOM 667 CA GLN A 47 27.378 -10.159 -11.253 1.00 0.00 C ATOM 668 C GLN A 47 26.185 -9.470 -10.576 1.00 0.00 C ATOM 669 O GLN A 47 26.260 -9.123 -9.396 1.00 0.00 O ATOM 670 CB GLN A 47 27.264 -11.701 -11.124 1.00 0.00 C ATOM 671 CG GLN A 47 25.997 -12.327 -11.752 1.00 0.00 C ATOM 672 CD GLN A 47 25.785 -12.006 -13.242 1.00 0.00 C ATOM 673 OE1 GLN A 47 24.648 -11.902 -13.698 1.00 0.00 O ATOM 674 NE2 GLN A 47 26.858 -11.895 -14.019 1.00 0.00 N ATOM 0 H GLN A 47 28.565 -9.679 -9.604 1.00 0.00 H new ATOM 0 HA GLN A 47 27.382 -9.901 -12.312 1.00 0.00 H new ATOM 0 HB2 GLN A 47 28.140 -12.153 -11.588 1.00 0.00 H new ATOM 0 HB3 GLN A 47 27.292 -11.963 -10.066 1.00 0.00 H new ATOM 0 HG2 GLN A 47 26.047 -13.409 -11.632 1.00 0.00 H new ATOM 0 HG3 GLN A 47 25.126 -11.984 -11.194 1.00 0.00 H new ATOM 0 HE21 GLN A 47 27.791 -11.985 -13.616 1.00 0.00 H new ATOM 0 HE22 GLN A 47 26.748 -11.720 -15.018 1.00 0.00 H new ATOM 683 N ASN A 48 25.106 -9.267 -11.353 1.00 0.00 N ATOM 684 CA ASN A 48 23.812 -8.730 -10.870 1.00 0.00 C ATOM 685 C ASN A 48 23.994 -7.278 -10.366 1.00 0.00 C ATOM 686 O ASN A 48 23.378 -6.874 -9.370 1.00 0.00 O ATOM 687 CB ASN A 48 23.193 -9.677 -9.774 1.00 0.00 C ATOM 688 CG ASN A 48 21.679 -9.858 -9.884 1.00 0.00 C ATOM 689 OD1 ASN A 48 21.118 -9.789 -10.971 1.00 0.00 O ATOM 690 ND2 ASN A 48 21.009 -10.104 -8.768 1.00 0.00 N ATOM 0 H ASN A 48 25.104 -9.474 -12.352 1.00 0.00 H new ATOM 0 HA ASN A 48 23.102 -8.700 -11.696 1.00 0.00 H new ATOM 0 HB2 ASN A 48 23.670 -10.654 -9.843 1.00 0.00 H new ATOM 0 HB3 ASN A 48 23.429 -9.276 -8.788 1.00 0.00 H new ATOM 0 HD21 ASN A 48 19.999 -10.242 -8.799 1.00 0.00 H new ATOM 0 HD22 ASN A 48 21.503 -10.156 -7.877 1.00 0.00 H new ATOM 697 N ARG A 49 24.835 -6.520 -11.119 1.00 0.00 N ATOM 698 CA ARG A 49 25.219 -5.115 -10.847 1.00 0.00 C ATOM 699 C ARG A 49 24.036 -4.236 -10.393 1.00 0.00 C ATOM 700 O ARG A 49 23.003 -4.156 -11.074 1.00 0.00 O ATOM 701 CB ARG A 49 25.855 -4.508 -12.133 1.00 0.00 C ATOM 702 CG ARG A 49 26.223 -3.010 -12.046 1.00 0.00 C ATOM 703 CD ARG A 49 27.374 -2.731 -11.068 1.00 0.00 C ATOM 704 NE ARG A 49 28.686 -3.111 -11.604 1.00 0.00 N ATOM 705 CZ ARG A 49 29.794 -3.225 -10.871 1.00 0.00 C ATOM 706 NH1 ARG A 49 29.720 -3.240 -9.544 1.00 0.00 N ATOM 707 NH2 ARG A 49 30.967 -3.373 -11.468 1.00 0.00 N ATOM 0 H ARG A 49 25.278 -6.887 -11.961 1.00 0.00 H new ATOM 0 HA ARG A 49 25.932 -5.128 -10.023 1.00 0.00 H new ATOM 0 HB2 ARG A 49 26.756 -5.073 -12.374 1.00 0.00 H new ATOM 0 HB3 ARG A 49 25.161 -4.647 -12.962 1.00 0.00 H new ATOM 0 HG2 ARG A 49 26.501 -2.652 -13.037 1.00 0.00 H new ATOM 0 HG3 ARG A 49 25.345 -2.443 -11.736 1.00 0.00 H new ATOM 0 HD2 ARG A 49 27.383 -1.670 -10.819 1.00 0.00 H new ATOM 0 HD3 ARG A 49 27.195 -3.275 -10.140 1.00 0.00 H new ATOM 0 HE ARG A 49 28.755 -3.301 -12.604 1.00 0.00 H new ATOM 0 HH11 ARG A 49 28.813 -3.164 -9.083 1.00 0.00 H new ATOM 0 HH12 ARG A 49 30.570 -3.327 -8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 49 31.021 -3.400 -12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 49 31.816 -3.460 -10.910 1.00 0.00 H new ATOM 721 N LEU A 50 24.222 -3.591 -9.239 1.00 0.00 N ATOM 722 CA LEU A 50 23.283 -2.612 -8.691 1.00 0.00 C ATOM 723 C LEU A 50 23.512 -1.246 -9.331 1.00 0.00 C ATOM 724 O LEU A 50 24.642 -0.732 -9.353 1.00 0.00 O ATOM 725 CB LEU A 50 23.433 -2.548 -7.148 1.00 0.00 C ATOM 726 CG LEU A 50 22.778 -3.744 -6.399 1.00 0.00 C ATOM 727 CD1 LEU A 50 23.229 -3.851 -4.935 1.00 0.00 C ATOM 728 CD2 LEU A 50 21.261 -3.633 -6.488 1.00 0.00 C ATOM 0 H LEU A 50 25.042 -3.737 -8.651 1.00 0.00 H new ATOM 0 HA LEU A 50 22.263 -2.919 -8.921 1.00 0.00 H new ATOM 0 HB2 LEU A 50 24.493 -2.512 -6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 50 22.989 -1.620 -6.788 1.00 0.00 H new ATOM 0 HG LEU A 50 23.111 -4.659 -6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 50 22.739 -4.703 -4.465 1.00 0.00 H new ATOM 0 HD12 LEU A 50 24.310 -3.987 -4.896 1.00 0.00 H new ATOM 0 HD13 LEU A 50 22.959 -2.939 -4.403 1.00 0.00 H new ATOM 0 HD21 LEU A 50 20.803 -4.471 -5.963 1.00 0.00 H new ATOM 0 HD22 LEU A 50 20.937 -2.698 -6.031 1.00 0.00 H new ATOM 0 HD23 LEU A 50 20.956 -3.650 -7.534 1.00 0.00 H new ATOM 740 N THR A 51 22.428 -0.679 -9.861 1.00 0.00 N ATOM 741 CA THR A 51 22.453 0.608 -10.554 1.00 0.00 C ATOM 742 C THR A 51 22.044 1.728 -9.591 1.00 0.00 C ATOM 743 O THR A 51 21.462 1.462 -8.535 1.00 0.00 O ATOM 744 CB THR A 51 21.505 0.586 -11.801 1.00 0.00 C ATOM 745 OG1 THR A 51 20.134 0.433 -11.392 1.00 0.00 O ATOM 746 CG2 THR A 51 21.876 -0.547 -12.785 1.00 0.00 C ATOM 0 H THR A 51 21.501 -1.104 -9.821 1.00 0.00 H new ATOM 0 HA THR A 51 23.468 0.795 -10.904 1.00 0.00 H new ATOM 0 HB THR A 51 21.629 1.540 -12.314 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.027 -0.419 -10.920 1.00 0.00 H new ATOM 0 HG21 THR A 51 21.195 -0.528 -13.636 1.00 0.00 H new ATOM 0 HG22 THR A 51 22.898 -0.404 -13.135 1.00 0.00 H new ATOM 0 HG23 THR A 51 21.797 -1.509 -12.279 1.00 0.00 H new ATOM 754 N ALA A 52 22.330 2.987 -9.981 1.00 0.00 N ATOM 755 CA ALA A 52 21.955 4.186 -9.203 1.00 0.00 C ATOM 756 C ALA A 52 20.433 4.237 -8.953 1.00 0.00 C ATOM 757 O ALA A 52 19.981 4.762 -7.928 1.00 0.00 O ATOM 758 CB ALA A 52 22.424 5.449 -9.936 1.00 0.00 C ATOM 0 H ALA A 52 22.828 3.201 -10.845 1.00 0.00 H new ATOM 0 HA ALA A 52 22.447 4.134 -8.232 1.00 0.00 H new ATOM 0 HB1 ALA A 52 22.145 6.330 -9.358 1.00 0.00 H new ATOM 0 HB2 ALA A 52 23.507 5.420 -10.054 1.00 0.00 H new ATOM 0 HB3 ALA A 52 21.954 5.496 -10.918 1.00 0.00 H new ATOM 764 N GLN A 53 19.668 3.660 -9.909 1.00 0.00 N ATOM 765 CA GLN A 53 18.226 3.430 -9.771 1.00 0.00 C ATOM 766 C GLN A 53 17.944 2.565 -8.526 1.00 0.00 C ATOM 767 O GLN A 53 17.320 3.045 -7.590 1.00 0.00 O ATOM 768 CB GLN A 53 17.657 2.742 -11.039 1.00 0.00 C ATOM 769 CG GLN A 53 16.143 2.460 -10.968 1.00 0.00 C ATOM 770 CD GLN A 53 15.582 1.645 -12.132 1.00 0.00 C ATOM 771 OE1 GLN A 53 16.052 1.732 -13.267 1.00 0.00 O ATOM 772 NE2 GLN A 53 14.591 0.822 -11.842 1.00 0.00 N ATOM 0 H GLN A 53 20.045 3.342 -10.802 1.00 0.00 H new ATOM 0 HA GLN A 53 17.733 4.395 -9.652 1.00 0.00 H new ATOM 0 HB2 GLN A 53 17.859 3.372 -11.905 1.00 0.00 H new ATOM 0 HB3 GLN A 53 18.185 1.802 -11.199 1.00 0.00 H new ATOM 0 HG2 GLN A 53 15.930 1.932 -10.039 1.00 0.00 H new ATOM 0 HG3 GLN A 53 15.613 3.412 -10.922 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.227 0.777 -10.890 1.00 0.00 H new ATOM 0 HE22 GLN A 53 14.189 0.231 -12.570 1.00 0.00 H new ATOM 781 N ASP A 54 18.494 1.319 -8.516 1.00 0.00 N ATOM 782 CA ASP A 54 18.272 0.315 -7.436 1.00 0.00 C ATOM 783 C ASP A 54 18.560 0.886 -6.040 1.00 0.00 C ATOM 784 O ASP A 54 17.790 0.666 -5.106 1.00 0.00 O ATOM 785 CB ASP A 54 19.164 -0.941 -7.638 1.00 0.00 C ATOM 786 CG ASP A 54 18.766 -1.804 -8.845 1.00 0.00 C ATOM 787 OD1 ASP A 54 17.665 -2.387 -8.820 1.00 0.00 O ATOM 788 OD2 ASP A 54 19.552 -1.916 -9.806 1.00 0.00 O ATOM 0 H ASP A 54 19.106 0.982 -9.259 1.00 0.00 H new ATOM 0 HA ASP A 54 17.219 0.041 -7.499 1.00 0.00 H new ATOM 0 HB2 ASP A 54 20.200 -0.623 -7.758 1.00 0.00 H new ATOM 0 HB3 ASP A 54 19.121 -1.553 -6.737 1.00 0.00 H new ATOM 793 N ILE A 55 19.680 1.619 -5.940 1.00 0.00 N ATOM 794 CA ILE A 55 20.185 2.187 -4.667 1.00 0.00 C ATOM 795 C ILE A 55 19.250 3.287 -4.121 1.00 0.00 C ATOM 796 O ILE A 55 19.030 3.385 -2.902 1.00 0.00 O ATOM 797 CB ILE A 55 21.643 2.761 -4.845 1.00 0.00 C ATOM 798 CG1 ILE A 55 22.547 1.720 -5.572 1.00 0.00 C ATOM 799 CG2 ILE A 55 22.270 3.178 -3.486 1.00 0.00 C ATOM 800 CD1 ILE A 55 23.914 2.230 -5.983 1.00 0.00 C ATOM 0 H ILE A 55 20.269 1.839 -6.743 1.00 0.00 H new ATOM 0 HA ILE A 55 20.211 1.373 -3.942 1.00 0.00 H new ATOM 0 HB ILE A 55 21.574 3.659 -5.458 1.00 0.00 H new ATOM 0 HG12 ILE A 55 22.680 0.858 -4.918 1.00 0.00 H new ATOM 0 HG13 ILE A 55 22.025 1.368 -6.462 1.00 0.00 H new ATOM 0 HG21 ILE A 55 23.274 3.568 -3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 55 21.654 3.948 -3.022 1.00 0.00 H new ATOM 0 HG23 ILE A 55 22.322 2.311 -2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 55 24.466 1.432 -6.480 1.00 0.00 H new ATOM 0 HD12 ILE A 55 23.798 3.071 -6.666 1.00 0.00 H new ATOM 0 HD13 ILE A 55 24.463 2.554 -5.098 1.00 0.00 H new ATOM 812 N ALA A 56 18.696 4.101 -5.039 1.00 0.00 N ATOM 813 CA ALA A 56 17.773 5.202 -4.687 1.00 0.00 C ATOM 814 C ALA A 56 16.344 4.673 -4.429 1.00 0.00 C ATOM 815 O ALA A 56 15.580 5.278 -3.664 1.00 0.00 O ATOM 816 CB ALA A 56 17.779 6.268 -5.793 1.00 0.00 C ATOM 0 H ALA A 56 18.873 4.017 -6.040 1.00 0.00 H new ATOM 0 HA ALA A 56 18.120 5.661 -3.762 1.00 0.00 H new ATOM 0 HB1 ALA A 56 17.096 7.074 -5.525 1.00 0.00 H new ATOM 0 HB2 ALA A 56 18.786 6.668 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 56 17.458 5.819 -6.733 1.00 0.00 H new ATOM 822 N GLU A 57 15.988 3.551 -5.092 1.00 0.00 N ATOM 823 CA GLU A 57 14.713 2.836 -4.863 1.00 0.00 C ATOM 824 C GLU A 57 14.733 2.140 -3.502 1.00 0.00 C ATOM 825 O GLU A 57 13.701 2.042 -2.825 1.00 0.00 O ATOM 826 CB GLU A 57 14.458 1.754 -5.948 1.00 0.00 C ATOM 827 CG GLU A 57 14.288 2.277 -7.376 1.00 0.00 C ATOM 828 CD GLU A 57 13.997 1.150 -8.381 1.00 0.00 C ATOM 829 OE1 GLU A 57 14.891 0.304 -8.608 1.00 0.00 O ATOM 830 OE2 GLU A 57 12.886 1.103 -8.952 1.00 0.00 O ATOM 0 H GLU A 57 16.577 3.115 -5.802 1.00 0.00 H new ATOM 0 HA GLU A 57 13.920 3.582 -4.904 1.00 0.00 H new ATOM 0 HB2 GLU A 57 15.289 1.049 -5.935 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.562 1.196 -5.676 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.474 3.001 -7.400 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.193 2.804 -7.677 1.00 0.00 H new ATOM 837 N ALA A 58 15.932 1.638 -3.145 1.00 0.00 N ATOM 838 CA ALA A 58 16.159 0.786 -1.981 1.00 0.00 C ATOM 839 C ALA A 58 15.736 1.471 -0.677 1.00 0.00 C ATOM 840 O ALA A 58 16.357 2.444 -0.244 1.00 0.00 O ATOM 841 CB ALA A 58 17.633 0.359 -1.916 1.00 0.00 C ATOM 0 H ALA A 58 16.783 1.823 -3.676 1.00 0.00 H new ATOM 0 HA ALA A 58 15.536 -0.101 -2.094 1.00 0.00 H new ATOM 0 HB1 ALA A 58 17.790 -0.276 -1.044 1.00 0.00 H new ATOM 0 HB2 ALA A 58 17.892 -0.194 -2.819 1.00 0.00 H new ATOM 0 HB3 ALA A 58 18.265 1.244 -1.839 1.00 0.00 H new ATOM 847 N THR A 59 14.627 0.984 -0.117 1.00 0.00 N ATOM 848 CA THR A 59 14.224 1.262 1.259 1.00 0.00 C ATOM 849 C THR A 59 15.291 0.697 2.220 1.00 0.00 C ATOM 850 O THR A 59 15.673 1.341 3.205 1.00 0.00 O ATOM 851 CB THR A 59 12.829 0.610 1.546 1.00 0.00 C ATOM 852 OG1 THR A 59 11.889 1.052 0.553 1.00 0.00 O ATOM 853 CG2 THR A 59 12.289 0.936 2.955 1.00 0.00 C ATOM 0 H THR A 59 13.976 0.377 -0.615 1.00 0.00 H new ATOM 0 HA THR A 59 14.139 2.338 1.410 1.00 0.00 H new ATOM 0 HB THR A 59 12.960 -0.471 1.502 1.00 0.00 H new ATOM 0 HG1 THR A 59 10.989 1.073 0.941 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.320 0.456 3.093 1.00 0.00 H new ATOM 0 HG22 THR A 59 12.987 0.567 3.707 1.00 0.00 H new ATOM 0 HG23 THR A 59 12.178 2.015 3.061 1.00 0.00 H new ATOM 861 N ILE A 60 15.794 -0.511 1.875 1.00 0.00 N ATOM 862 CA ILE A 60 16.794 -1.245 2.675 1.00 0.00 C ATOM 863 C ILE A 60 17.973 -1.685 1.785 1.00 0.00 C ATOM 864 O ILE A 60 17.766 -2.086 0.635 1.00 0.00 O ATOM 865 CB ILE A 60 16.140 -2.516 3.343 1.00 0.00 C ATOM 866 CG1 ILE A 60 14.990 -2.110 4.317 1.00 0.00 C ATOM 867 CG2 ILE A 60 17.196 -3.387 4.066 1.00 0.00 C ATOM 868 CD1 ILE A 60 14.232 -3.266 4.951 1.00 0.00 C ATOM 0 H ILE A 60 15.514 -1.004 1.027 1.00 0.00 H new ATOM 0 HA ILE A 60 17.161 -0.579 3.456 1.00 0.00 H new ATOM 0 HB ILE A 60 15.709 -3.118 2.543 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.411 -1.494 5.112 1.00 0.00 H new ATOM 0 HG13 ILE A 60 14.280 -1.487 3.773 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.709 -4.253 4.514 1.00 0.00 H new ATOM 0 HG22 ILE A 60 17.944 -3.723 3.348 1.00 0.00 H new ATOM 0 HG23 ILE A 60 17.680 -2.799 4.846 1.00 0.00 H new ATOM 0 HD11 ILE A 60 13.456 -2.875 5.609 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.774 -3.873 4.170 1.00 0.00 H new ATOM 0 HD13 ILE A 60 14.922 -3.880 5.529 1.00 0.00 H new ATOM 880 N ILE A 61 19.206 -1.587 2.329 1.00 0.00 N ATOM 881 CA ILE A 61 20.430 -2.126 1.697 1.00 0.00 C ATOM 882 C ILE A 61 21.193 -2.960 2.743 1.00 0.00 C ATOM 883 O ILE A 61 21.315 -2.536 3.896 1.00 0.00 O ATOM 884 CB ILE A 61 21.376 -0.989 1.151 1.00 0.00 C ATOM 885 CG1 ILE A 61 20.561 0.065 0.334 1.00 0.00 C ATOM 886 CG2 ILE A 61 22.541 -1.586 0.303 1.00 0.00 C ATOM 887 CD1 ILE A 61 21.367 1.219 -0.217 1.00 0.00 C ATOM 0 H ILE A 61 19.381 -1.129 3.224 1.00 0.00 H new ATOM 0 HA ILE A 61 20.130 -2.736 0.845 1.00 0.00 H new ATOM 0 HB ILE A 61 21.821 -0.479 2.006 1.00 0.00 H new ATOM 0 HG12 ILE A 61 20.071 -0.443 -0.496 1.00 0.00 H new ATOM 0 HG13 ILE A 61 19.774 0.465 0.972 1.00 0.00 H new ATOM 0 HG21 ILE A 61 23.177 -0.779 -0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 61 23.131 -2.263 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 61 22.130 -2.134 -0.545 1.00 0.00 H new ATOM 0 HD11 ILE A 61 20.709 1.892 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 61 21.836 1.760 0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 61 22.138 0.838 -0.887 1.00 0.00 H new ATOM 899 N ILE A 62 21.668 -4.153 2.350 1.00 0.00 N ATOM 900 CA ILE A 62 22.531 -5.011 3.198 1.00 0.00 C ATOM 901 C ILE A 62 23.881 -5.216 2.476 1.00 0.00 C ATOM 902 O ILE A 62 23.893 -5.479 1.283 1.00 0.00 O ATOM 903 CB ILE A 62 21.888 -6.435 3.490 1.00 0.00 C ATOM 904 CG1 ILE A 62 20.454 -6.343 4.121 1.00 0.00 C ATOM 905 CG2 ILE A 62 22.804 -7.283 4.405 1.00 0.00 C ATOM 906 CD1 ILE A 62 19.316 -6.156 3.137 1.00 0.00 C ATOM 0 H ILE A 62 21.468 -4.556 1.435 1.00 0.00 H new ATOM 0 HA ILE A 62 22.657 -4.507 4.156 1.00 0.00 H new ATOM 0 HB ILE A 62 21.789 -6.922 2.520 1.00 0.00 H new ATOM 0 HG12 ILE A 62 20.270 -7.252 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 62 20.440 -5.513 4.827 1.00 0.00 H new ATOM 0 HG21 ILE A 62 22.339 -8.252 4.588 1.00 0.00 H new ATOM 0 HG22 ILE A 62 23.769 -7.429 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 62 22.950 -6.766 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 62 18.371 -6.105 3.679 1.00 0.00 H new ATOM 0 HD12 ILE A 62 19.465 -5.231 2.580 1.00 0.00 H new ATOM 0 HD13 ILE A 62 19.292 -6.997 2.444 1.00 0.00 H new ATOM 918 N HIS A 63 25.017 -5.073 3.185 1.00 0.00 N ATOM 919 CA HIS A 63 26.350 -5.446 2.651 1.00 0.00 C ATOM 920 C HIS A 63 26.842 -6.721 3.340 1.00 0.00 C ATOM 921 O HIS A 63 27.565 -6.676 4.330 1.00 0.00 O ATOM 922 CB HIS A 63 27.375 -4.278 2.777 1.00 0.00 C ATOM 923 CG HIS A 63 27.337 -3.290 1.639 1.00 0.00 C ATOM 924 ND1 HIS A 63 28.369 -2.414 1.417 1.00 0.00 N ATOM 925 CD2 HIS A 63 26.389 -3.103 0.689 1.00 0.00 C ATOM 926 CE1 HIS A 63 28.031 -1.727 0.347 1.00 0.00 C ATOM 927 NE2 HIS A 63 26.839 -2.109 -0.131 1.00 0.00 N ATOM 0 H HIS A 63 25.042 -4.700 4.134 1.00 0.00 H new ATOM 0 HA HIS A 63 26.254 -5.647 1.584 1.00 0.00 H new ATOM 0 HB2 HIS A 63 27.188 -3.746 3.710 1.00 0.00 H new ATOM 0 HB3 HIS A 63 28.379 -4.697 2.844 1.00 0.00 H new ATOM 0 HD2 HIS A 63 25.455 -3.638 0.598 1.00 0.00 H new ATOM 0 HE1 HIS A 63 28.640 -0.950 -0.092 1.00 0.00 H new ATOM 0 HE2 HIS A 63 26.361 -1.731 -0.949 1.00 0.00 H new ATOM 935 N SER A 64 26.394 -7.855 2.803 1.00 0.00 N ATOM 936 CA SER A 64 26.776 -9.194 3.249 1.00 0.00 C ATOM 937 C SER A 64 28.154 -9.561 2.706 1.00 0.00 C ATOM 938 O SER A 64 28.283 -10.244 1.685 1.00 0.00 O ATOM 939 CB SER A 64 25.721 -10.177 2.752 1.00 0.00 C ATOM 940 OG SER A 64 24.440 -9.772 3.171 1.00 0.00 O ATOM 0 H SER A 64 25.736 -7.868 2.023 1.00 0.00 H new ATOM 0 HA SER A 64 26.831 -9.228 4.337 1.00 0.00 H new ATOM 0 HB2 SER A 64 25.753 -10.236 1.664 1.00 0.00 H new ATOM 0 HB3 SER A 64 25.937 -11.175 3.132 1.00 0.00 H new ATOM 0 HG SER A 64 24.099 -9.084 2.562 1.00 0.00 H new ATOM 946 N VAL A 65 29.198 -9.071 3.361 1.00 0.00 N ATOM 947 CA VAL A 65 30.561 -9.156 2.824 1.00 0.00 C ATOM 948 C VAL A 65 31.532 -9.822 3.810 1.00 0.00 C ATOM 949 O VAL A 65 31.254 -9.953 5.001 1.00 0.00 O ATOM 950 CB VAL A 65 31.056 -7.723 2.400 1.00 0.00 C ATOM 951 CG1 VAL A 65 30.150 -7.137 1.284 1.00 0.00 C ATOM 952 CG2 VAL A 65 31.124 -6.756 3.611 1.00 0.00 C ATOM 0 H VAL A 65 29.133 -8.608 4.268 1.00 0.00 H new ATOM 0 HA VAL A 65 30.540 -9.795 1.941 1.00 0.00 H new ATOM 0 HB VAL A 65 32.067 -7.830 2.008 1.00 0.00 H new ATOM 0 HG11 VAL A 65 30.510 -6.146 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 65 30.177 -7.791 0.412 1.00 0.00 H new ATOM 0 HG13 VAL A 65 29.126 -7.062 1.649 1.00 0.00 H new ATOM 0 HG21 VAL A 65 31.470 -5.778 3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 65 30.133 -6.658 4.055 1.00 0.00 H new ATOM 0 HG23 VAL A 65 31.817 -7.151 4.354 1.00 0.00 H new ATOM 962 N ALA A 66 32.644 -10.303 3.254 1.00 0.00 N ATOM 963 CA ALA A 66 33.779 -10.866 4.006 1.00 0.00 C ATOM 964 C ALA A 66 34.980 -9.913 3.891 1.00 0.00 C ATOM 965 O ALA A 66 35.885 -9.922 4.730 1.00 0.00 O ATOM 966 CB ALA A 66 34.123 -12.262 3.459 1.00 0.00 C ATOM 0 H ALA A 66 32.790 -10.315 2.245 1.00 0.00 H new ATOM 0 HA ALA A 66 33.517 -10.972 5.059 1.00 0.00 H new ATOM 0 HB1 ALA A 66 34.963 -12.675 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 66 33.259 -12.918 3.566 1.00 0.00 H new ATOM 0 HB3 ALA A 66 34.391 -12.184 2.405 1.00 0.00 H new ATOM 972 N VAL A 67 34.960 -9.096 2.819 1.00 0.00 N ATOM 973 CA VAL A 67 35.970 -8.073 2.504 1.00 0.00 C ATOM 974 C VAL A 67 35.251 -6.754 2.191 1.00 0.00 C ATOM 975 O VAL A 67 34.034 -6.754 1.982 1.00 0.00 O ATOM 976 CB VAL A 67 36.856 -8.502 1.267 1.00 0.00 C ATOM 977 CG1 VAL A 67 37.767 -9.699 1.623 1.00 0.00 C ATOM 978 CG2 VAL A 67 35.976 -8.820 0.017 1.00 0.00 C ATOM 0 H VAL A 67 34.213 -9.134 2.126 1.00 0.00 H new ATOM 0 HA VAL A 67 36.631 -7.954 3.363 1.00 0.00 H new ATOM 0 HB VAL A 67 37.496 -7.657 1.013 1.00 0.00 H new ATOM 0 HG11 VAL A 67 38.365 -9.972 0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 67 38.427 -9.422 2.445 1.00 0.00 H new ATOM 0 HG13 VAL A 67 37.152 -10.548 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 67 36.617 -9.111 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 67 35.292 -9.636 0.251 1.00 0.00 H new ATOM 0 HG23 VAL A 67 35.403 -7.935 -0.259 1.00 0.00 H new ATOM 988 N THR A 68 35.999 -5.641 2.166 1.00 0.00 N ATOM 989 CA THR A 68 35.458 -4.335 1.781 1.00 0.00 C ATOM 990 C THR A 68 34.967 -4.391 0.315 1.00 0.00 C ATOM 991 O THR A 68 35.778 -4.653 -0.586 1.00 0.00 O ATOM 992 CB THR A 68 36.527 -3.203 1.953 1.00 0.00 C ATOM 993 OG1 THR A 68 36.973 -3.175 3.319 1.00 0.00 O ATOM 994 CG2 THR A 68 35.978 -1.810 1.561 1.00 0.00 C ATOM 0 H THR A 68 36.989 -5.623 2.411 1.00 0.00 H new ATOM 0 HA THR A 68 34.620 -4.101 2.437 1.00 0.00 H new ATOM 0 HB THR A 68 37.357 -3.428 1.283 1.00 0.00 H new ATOM 0 HG1 THR A 68 37.643 -2.469 3.430 1.00 0.00 H new ATOM 0 HG21 THR A 68 36.757 -1.060 1.698 1.00 0.00 H new ATOM 0 HG22 THR A 68 35.666 -1.823 0.517 1.00 0.00 H new ATOM 0 HG23 THR A 68 35.124 -1.565 2.192 1.00 0.00 H new ATOM 1002 N PRO A 69 33.630 -4.190 0.059 1.00 0.00 N ATOM 1003 CA PRO A 69 33.088 -4.182 -1.313 1.00 0.00 C ATOM 1004 C PRO A 69 33.664 -3.013 -2.144 1.00 0.00 C ATOM 1005 O PRO A 69 33.891 -1.916 -1.615 1.00 0.00 O ATOM 1006 CB PRO A 69 31.561 -4.055 -1.105 1.00 0.00 C ATOM 1007 CG PRO A 69 31.402 -3.429 0.245 1.00 0.00 C ATOM 1008 CD PRO A 69 32.554 -3.957 1.070 1.00 0.00 C ATOM 0 HA PRO A 69 33.353 -5.075 -1.878 1.00 0.00 H new ATOM 0 HB2 PRO A 69 31.107 -3.439 -1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 69 31.075 -5.030 -1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 69 31.431 -2.341 0.180 1.00 0.00 H new ATOM 0 HG3 PRO A 69 30.444 -3.696 0.692 1.00 0.00 H new ATOM 0 HD2 PRO A 69 32.865 -3.240 1.829 1.00 0.00 H new ATOM 0 HD3 PRO A 69 32.286 -4.877 1.591 1.00 0.00 H new ATOM 1016 N GLU A 70 33.909 -3.274 -3.434 1.00 0.00 N ATOM 1017 CA GLU A 70 34.558 -2.315 -4.349 1.00 0.00 C ATOM 1018 C GLU A 70 33.638 -1.119 -4.623 1.00 0.00 C ATOM 1019 O GLU A 70 34.087 0.031 -4.702 1.00 0.00 O ATOM 1020 CB GLU A 70 34.931 -3.028 -5.682 1.00 0.00 C ATOM 1021 CG GLU A 70 35.714 -4.347 -5.519 1.00 0.00 C ATOM 1022 CD GLU A 70 37.064 -4.170 -4.807 1.00 0.00 C ATOM 1023 OE1 GLU A 70 38.035 -3.728 -5.460 1.00 0.00 O ATOM 1024 OE2 GLU A 70 37.162 -4.477 -3.595 1.00 0.00 O ATOM 0 H GLU A 70 33.663 -4.159 -3.878 1.00 0.00 H new ATOM 0 HA GLU A 70 35.467 -1.942 -3.878 1.00 0.00 H new ATOM 0 HB2 GLU A 70 34.015 -3.233 -6.236 1.00 0.00 H new ATOM 0 HB3 GLU A 70 35.524 -2.344 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 70 35.105 -5.055 -4.957 1.00 0.00 H new ATOM 0 HG3 GLU A 70 35.885 -4.784 -6.503 1.00 0.00 H new ATOM 1031 N ASP A 71 32.339 -1.413 -4.730 1.00 0.00 N ATOM 1032 CA ASP A 71 31.307 -0.413 -5.035 1.00 0.00 C ATOM 1033 C ASP A 71 30.625 0.067 -3.754 1.00 0.00 C ATOM 1034 O ASP A 71 29.512 0.562 -3.811 1.00 0.00 O ATOM 1035 CB ASP A 71 30.278 -1.002 -6.038 1.00 0.00 C ATOM 1036 CG ASP A 71 30.905 -1.303 -7.404 1.00 0.00 C ATOM 1037 OD1 ASP A 71 31.621 -2.324 -7.533 1.00 0.00 O ATOM 1038 OD2 ASP A 71 30.722 -0.503 -8.350 1.00 0.00 O ATOM 0 H ASP A 71 31.970 -2.356 -4.607 1.00 0.00 H new ATOM 0 HA ASP A 71 31.779 0.453 -5.499 1.00 0.00 H new ATOM 0 HB2 ASP A 71 29.855 -1.918 -5.625 1.00 0.00 H new ATOM 0 HB3 ASP A 71 29.455 -0.299 -6.165 1.00 0.00 H new ATOM 1043 N ASN A 72 31.330 -0.031 -2.601 1.00 0.00 N ATOM 1044 CA ASN A 72 30.817 0.450 -1.291 1.00 0.00 C ATOM 1045 C ASN A 72 30.403 1.939 -1.359 1.00 0.00 C ATOM 1046 O ASN A 72 29.399 2.337 -0.772 1.00 0.00 O ATOM 1047 CB ASN A 72 31.885 0.268 -0.177 1.00 0.00 C ATOM 1048 CG ASN A 72 31.432 0.768 1.215 1.00 0.00 C ATOM 1049 OD1 ASN A 72 30.273 0.601 1.612 1.00 0.00 O ATOM 1050 ND2 ASN A 72 32.332 1.414 1.952 1.00 0.00 N ATOM 0 H ASN A 72 32.262 -0.442 -2.550 1.00 0.00 H new ATOM 0 HA ASN A 72 29.939 -0.149 -1.052 1.00 0.00 H new ATOM 0 HB2 ASN A 72 32.145 -0.788 -0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 72 32.791 0.800 -0.466 1.00 0.00 H new ATOM 0 HD21 ASN A 72 32.072 1.784 2.866 1.00 0.00 H new ATOM 0 HD22 ASN A 72 33.282 1.539 1.603 1.00 0.00 H new ATOM 1057 N GLU A 73 31.185 2.728 -2.120 1.00 0.00 N ATOM 1058 CA GLU A 73 30.961 4.179 -2.294 1.00 0.00 C ATOM 1059 C GLU A 73 29.632 4.497 -3.017 1.00 0.00 C ATOM 1060 O GLU A 73 29.113 5.605 -2.884 1.00 0.00 O ATOM 1061 CB GLU A 73 32.195 4.839 -2.996 1.00 0.00 C ATOM 1062 CG GLU A 73 32.801 4.073 -4.208 1.00 0.00 C ATOM 1063 CD GLU A 73 31.914 3.996 -5.465 1.00 0.00 C ATOM 1064 OE1 GLU A 73 31.471 5.056 -5.954 1.00 0.00 O ATOM 1065 OE2 GLU A 73 31.670 2.881 -5.972 1.00 0.00 O ATOM 0 H GLU A 73 31.993 2.377 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 73 30.862 4.619 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 73 31.903 5.834 -3.333 1.00 0.00 H new ATOM 0 HB3 GLU A 73 32.979 4.973 -2.251 1.00 0.00 H new ATOM 0 HG2 GLU A 73 33.743 4.549 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 73 33.037 3.057 -3.890 1.00 0.00 H new ATOM 1072 N ARG A 74 29.102 3.521 -3.776 1.00 0.00 N ATOM 1073 CA ARG A 74 27.778 3.630 -4.424 1.00 0.00 C ATOM 1074 C ARG A 74 26.639 3.667 -3.380 1.00 0.00 C ATOM 1075 O ARG A 74 25.616 4.310 -3.588 1.00 0.00 O ATOM 1076 CB ARG A 74 27.536 2.424 -5.374 1.00 0.00 C ATOM 1077 CG ARG A 74 28.445 2.337 -6.621 1.00 0.00 C ATOM 1078 CD ARG A 74 27.944 3.165 -7.822 1.00 0.00 C ATOM 1079 NE ARG A 74 27.927 4.618 -7.560 1.00 0.00 N ATOM 1080 CZ ARG A 74 28.804 5.510 -8.056 1.00 0.00 C ATOM 1081 NH1 ARG A 74 29.852 5.113 -8.765 1.00 0.00 N ATOM 1082 NH2 ARG A 74 28.647 6.795 -7.798 1.00 0.00 N ATOM 0 H ARG A 74 29.576 2.636 -3.958 1.00 0.00 H new ATOM 0 HA ARG A 74 27.775 4.561 -4.991 1.00 0.00 H new ATOM 0 HB2 ARG A 74 27.657 1.506 -4.798 1.00 0.00 H new ATOM 0 HB3 ARG A 74 26.499 2.456 -5.709 1.00 0.00 H new ATOM 0 HG2 ARG A 74 29.446 2.675 -6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 74 28.531 1.293 -6.923 1.00 0.00 H new ATOM 0 HD2 ARG A 74 28.581 2.965 -8.684 1.00 0.00 H new ATOM 0 HD3 ARG A 74 26.938 2.838 -8.086 1.00 0.00 H new ATOM 0 HE ARG A 74 27.189 4.975 -6.953 1.00 0.00 H new ATOM 0 HH11 ARG A 74 30.002 4.120 -8.941 1.00 0.00 H new ATOM 0 HH12 ARG A 74 30.508 5.801 -9.134 1.00 0.00 H new ATOM 0 HH21 ARG A 74 27.863 7.108 -7.225 1.00 0.00 H new ATOM 0 HH22 ARG A 74 29.309 7.475 -8.172 1.00 0.00 H new ATOM 1096 N PHE A 75 26.842 2.955 -2.263 1.00 0.00 N ATOM 1097 CA PHE A 75 25.776 2.664 -1.271 1.00 0.00 C ATOM 1098 C PHE A 75 25.931 3.453 0.027 1.00 0.00 C ATOM 1099 O PHE A 75 24.933 3.742 0.667 1.00 0.00 O ATOM 1100 CB PHE A 75 25.793 1.157 -0.935 1.00 0.00 C ATOM 1101 CG PHE A 75 25.684 0.279 -2.161 1.00 0.00 C ATOM 1102 CD1 PHE A 75 24.453 -0.019 -2.700 1.00 0.00 C ATOM 1103 CD2 PHE A 75 26.819 -0.218 -2.788 1.00 0.00 C ATOM 1104 CE1 PHE A 75 24.355 -0.788 -3.821 1.00 0.00 C ATOM 1105 CE2 PHE A 75 26.723 -0.988 -3.919 1.00 0.00 C ATOM 1106 CZ PHE A 75 25.492 -1.275 -4.438 1.00 0.00 C ATOM 0 H PHE A 75 27.749 2.560 -2.014 1.00 0.00 H new ATOM 0 HA PHE A 75 24.832 2.963 -1.726 1.00 0.00 H new ATOM 0 HB2 PHE A 75 26.715 0.919 -0.405 1.00 0.00 H new ATOM 0 HB3 PHE A 75 24.969 0.932 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 75 23.557 0.360 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 75 27.793 0.005 -2.378 1.00 0.00 H new ATOM 0 HE1 PHE A 75 23.382 -1.018 -4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 75 27.615 -1.365 -4.397 1.00 0.00 H new ATOM 0 HZ PHE A 75 25.408 -1.881 -5.328 1.00 0.00 H new ATOM 1116 N GLU A 76 27.180 3.786 0.392 1.00 0.00 N ATOM 1117 CA GLU A 76 27.548 4.267 1.749 1.00 0.00 C ATOM 1118 C GLU A 76 26.727 5.505 2.222 1.00 0.00 C ATOM 1119 O GLU A 76 26.493 5.680 3.421 1.00 0.00 O ATOM 1120 CB GLU A 76 29.072 4.550 1.782 1.00 0.00 C ATOM 1121 CG GLU A 76 29.637 4.977 3.153 1.00 0.00 C ATOM 1122 CD GLU A 76 31.162 5.159 3.155 1.00 0.00 C ATOM 1123 OE1 GLU A 76 31.645 6.282 2.873 1.00 0.00 O ATOM 1124 OE2 GLU A 76 31.890 4.175 3.420 1.00 0.00 O ATOM 0 H GLU A 76 27.974 3.731 -0.246 1.00 0.00 H new ATOM 0 HA GLU A 76 27.296 3.479 2.459 1.00 0.00 H new ATOM 0 HB2 GLU A 76 29.598 3.653 1.455 1.00 0.00 H new ATOM 0 HB3 GLU A 76 29.295 5.333 1.057 1.00 0.00 H new ATOM 0 HG2 GLU A 76 29.167 5.912 3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 76 29.367 4.228 3.898 1.00 0.00 H new ATOM 1131 N SER A 77 26.250 6.320 1.264 1.00 0.00 N ATOM 1132 CA SER A 77 25.464 7.542 1.544 1.00 0.00 C ATOM 1133 C SER A 77 23.946 7.236 1.734 1.00 0.00 C ATOM 1134 O SER A 77 23.129 8.155 1.827 1.00 0.00 O ATOM 1135 CB SER A 77 25.694 8.556 0.399 1.00 0.00 C ATOM 1136 OG SER A 77 25.131 9.831 0.675 1.00 0.00 O ATOM 0 H SER A 77 26.398 6.152 0.269 1.00 0.00 H new ATOM 0 HA SER A 77 25.806 7.970 2.487 1.00 0.00 H new ATOM 0 HB2 SER A 77 26.765 8.666 0.226 1.00 0.00 H new ATOM 0 HB3 SER A 77 25.261 8.163 -0.521 1.00 0.00 H new ATOM 0 HG SER A 77 24.296 9.718 1.175 1.00 0.00 H new ATOM 1142 N ARG A 78 23.580 5.940 1.772 1.00 0.00 N ATOM 1143 CA ARG A 78 22.184 5.462 1.956 1.00 0.00 C ATOM 1144 C ARG A 78 22.092 4.567 3.213 1.00 0.00 C ATOM 1145 O ARG A 78 23.089 4.399 3.935 1.00 0.00 O ATOM 1146 CB ARG A 78 21.713 4.681 0.691 1.00 0.00 C ATOM 1147 CG ARG A 78 21.814 5.458 -0.633 1.00 0.00 C ATOM 1148 CD ARG A 78 20.947 6.725 -0.672 1.00 0.00 C ATOM 1149 NE ARG A 78 21.127 7.450 -1.946 1.00 0.00 N ATOM 1150 CZ ARG A 78 20.441 8.533 -2.340 1.00 0.00 C ATOM 1151 NH1 ARG A 78 19.462 9.042 -1.598 1.00 0.00 N ATOM 1152 NH2 ARG A 78 20.746 9.108 -3.497 1.00 0.00 N ATOM 0 H ARG A 78 24.252 5.179 1.675 1.00 0.00 H new ATOM 0 HA ARG A 78 21.529 6.322 2.094 1.00 0.00 H new ATOM 0 HB2 ARG A 78 22.305 3.770 0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 78 20.677 4.376 0.837 1.00 0.00 H new ATOM 0 HG2 ARG A 78 22.854 5.735 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 78 21.520 4.802 -1.453 1.00 0.00 H new ATOM 0 HD2 ARG A 78 19.898 6.456 -0.547 1.00 0.00 H new ATOM 0 HD3 ARG A 78 21.210 7.376 0.162 1.00 0.00 H new ATOM 0 HE ARG A 78 21.838 7.094 -2.585 1.00 0.00 H new ATOM 0 HH11 ARG A 78 19.218 8.608 -0.708 1.00 0.00 H new ATOM 0 HH12 ARG A 78 18.955 9.867 -1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 78 21.494 8.726 -4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 78 20.232 9.932 -3.808 1.00 0.00 H new ATOM 1166 N ASP A 79 20.891 4.002 3.481 1.00 0.00 N ATOM 1167 CA ASP A 79 20.661 3.102 4.634 1.00 0.00 C ATOM 1168 C ASP A 79 21.172 1.681 4.332 1.00 0.00 C ATOM 1169 O ASP A 79 20.425 0.824 3.837 1.00 0.00 O ATOM 1170 CB ASP A 79 19.157 3.082 5.038 1.00 0.00 C ATOM 1171 CG ASP A 79 18.696 4.394 5.702 1.00 0.00 C ATOM 1172 OD1 ASP A 79 18.346 5.354 4.978 1.00 0.00 O ATOM 1173 OD2 ASP A 79 18.711 4.477 6.952 1.00 0.00 O ATOM 0 H ASP A 79 20.061 4.156 2.909 1.00 0.00 H new ATOM 0 HA ASP A 79 21.227 3.490 5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 79 18.550 2.897 4.151 1.00 0.00 H new ATOM 0 HB3 ASP A 79 18.981 2.253 5.723 1.00 0.00 H new ATOM 1178 N VAL A 80 22.472 1.464 4.605 1.00 0.00 N ATOM 1179 CA VAL A 80 23.146 0.169 4.403 1.00 0.00 C ATOM 1180 C VAL A 80 23.451 -0.478 5.761 1.00 0.00 C ATOM 1181 O VAL A 80 23.696 0.224 6.747 1.00 0.00 O ATOM 1182 CB VAL A 80 24.481 0.333 3.589 1.00 0.00 C ATOM 1183 CG1 VAL A 80 25.093 -1.034 3.218 1.00 0.00 C ATOM 1184 CG2 VAL A 80 24.260 1.181 2.328 1.00 0.00 C ATOM 0 H VAL A 80 23.088 2.188 4.975 1.00 0.00 H new ATOM 0 HA VAL A 80 22.474 -0.470 3.830 1.00 0.00 H new ATOM 0 HB VAL A 80 25.189 0.853 4.235 1.00 0.00 H new ATOM 0 HG11 VAL A 80 26.014 -0.880 2.656 1.00 0.00 H new ATOM 0 HG12 VAL A 80 25.312 -1.594 4.127 1.00 0.00 H new ATOM 0 HG13 VAL A 80 24.386 -1.596 2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 80 25.200 1.278 1.785 1.00 0.00 H new ATOM 0 HG22 VAL A 80 23.520 0.698 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 80 23.902 2.170 2.613 1.00 0.00 H new ATOM 1194 N TYR A 81 23.398 -1.818 5.806 1.00 0.00 N ATOM 1195 CA TYR A 81 23.710 -2.610 7.006 1.00 0.00 C ATOM 1196 C TYR A 81 24.784 -3.654 6.673 1.00 0.00 C ATOM 1197 O TYR A 81 24.469 -4.717 6.121 1.00 0.00 O ATOM 1198 CB TYR A 81 22.410 -3.265 7.554 1.00 0.00 C ATOM 1199 CG TYR A 81 21.380 -2.224 8.018 1.00 0.00 C ATOM 1200 CD1 TYR A 81 21.454 -1.663 9.296 1.00 0.00 C ATOM 1201 CD2 TYR A 81 20.370 -1.763 7.162 1.00 0.00 C ATOM 1202 CE1 TYR A 81 20.562 -0.694 9.703 1.00 0.00 C ATOM 1203 CE2 TYR A 81 19.475 -0.796 7.574 1.00 0.00 C ATOM 1204 CZ TYR A 81 19.576 -0.265 8.841 1.00 0.00 C ATOM 1205 OH TYR A 81 18.686 0.705 9.250 1.00 0.00 O ATOM 0 H TYR A 81 23.135 -2.388 5.002 1.00 0.00 H new ATOM 0 HA TYR A 81 24.109 -1.963 7.787 1.00 0.00 H new ATOM 0 HB2 TYR A 81 21.967 -3.890 6.779 1.00 0.00 H new ATOM 0 HB3 TYR A 81 22.661 -3.921 8.388 1.00 0.00 H new ATOM 0 HD1 TYR A 81 22.224 -1.995 9.977 1.00 0.00 H new ATOM 0 HD2 TYR A 81 20.291 -2.171 6.165 1.00 0.00 H new ATOM 0 HE1 TYR A 81 20.636 -0.272 10.695 1.00 0.00 H new ATOM 0 HE2 TYR A 81 18.698 -0.457 6.905 1.00 0.00 H new ATOM 0 HH TYR A 81 18.055 0.896 8.525 1.00 0.00 H new ATOM 1215 N GLU A 82 26.064 -3.324 6.957 1.00 0.00 N ATOM 1216 CA GLU A 82 27.190 -4.243 6.725 1.00 0.00 C ATOM 1217 C GLU A 82 27.171 -5.384 7.754 1.00 0.00 C ATOM 1218 O GLU A 82 27.071 -5.154 8.964 1.00 0.00 O ATOM 1219 CB GLU A 82 28.571 -3.529 6.770 1.00 0.00 C ATOM 1220 CG GLU A 82 28.784 -2.410 5.724 1.00 0.00 C ATOM 1221 CD GLU A 82 28.206 -1.047 6.145 1.00 0.00 C ATOM 1222 OE1 GLU A 82 28.928 -0.263 6.795 1.00 0.00 O ATOM 1223 OE2 GLU A 82 27.027 -0.762 5.865 1.00 0.00 O ATOM 0 H GLU A 82 26.339 -2.423 7.349 1.00 0.00 H new ATOM 0 HA GLU A 82 27.060 -4.643 5.720 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.706 -3.102 7.764 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.351 -4.279 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 82 29.852 -2.299 5.537 1.00 0.00 H new ATOM 0 HG3 GLU A 82 28.326 -2.713 4.783 1.00 0.00 H new ATOM 1230 N ILE A 83 27.254 -6.602 7.234 1.00 0.00 N ATOM 1231 CA ILE A 83 27.313 -7.848 8.004 1.00 0.00 C ATOM 1232 C ILE A 83 28.354 -8.777 7.347 1.00 0.00 C ATOM 1233 O ILE A 83 29.014 -8.398 6.362 1.00 0.00 O ATOM 1234 CB ILE A 83 25.914 -8.591 8.047 1.00 0.00 C ATOM 1235 CG1 ILE A 83 25.451 -8.958 6.605 1.00 0.00 C ATOM 1236 CG2 ILE A 83 24.828 -7.762 8.786 1.00 0.00 C ATOM 1237 CD1 ILE A 83 24.258 -9.875 6.548 1.00 0.00 C ATOM 0 H ILE A 83 27.283 -6.760 6.227 1.00 0.00 H new ATOM 0 HA ILE A 83 27.588 -7.602 9.030 1.00 0.00 H new ATOM 0 HB ILE A 83 26.050 -9.510 8.618 1.00 0.00 H new ATOM 0 HG12 ILE A 83 25.214 -8.040 6.068 1.00 0.00 H new ATOM 0 HG13 ILE A 83 26.281 -9.429 6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 83 23.888 -8.314 8.788 1.00 0.00 H new ATOM 0 HG22 ILE A 83 25.145 -7.581 9.813 1.00 0.00 H new ATOM 0 HG23 ILE A 83 24.688 -6.809 8.276 1.00 0.00 H new ATOM 0 HD11 ILE A 83 24.004 -10.078 5.508 1.00 0.00 H new ATOM 0 HD12 ILE A 83 24.494 -10.811 7.053 1.00 0.00 H new ATOM 0 HD13 ILE A 83 23.410 -9.400 7.042 1.00 0.00 H new ATOM 1249 N THR A 84 28.485 -9.993 7.881 1.00 0.00 N ATOM 1250 CA THR A 84 29.275 -11.051 7.250 1.00 0.00 C ATOM 1251 C THR A 84 28.438 -11.773 6.187 1.00 0.00 C ATOM 1252 O THR A 84 27.215 -11.904 6.325 1.00 0.00 O ATOM 1253 CB THR A 84 29.820 -12.070 8.297 1.00 0.00 C ATOM 1254 OG1 THR A 84 28.780 -12.436 9.217 1.00 0.00 O ATOM 1255 CG2 THR A 84 31.015 -11.494 9.059 1.00 0.00 C ATOM 0 H THR A 84 28.048 -10.271 8.760 1.00 0.00 H new ATOM 0 HA THR A 84 30.135 -10.582 6.772 1.00 0.00 H new ATOM 0 HB THR A 84 30.155 -12.958 7.761 1.00 0.00 H new ATOM 0 HG1 THR A 84 29.131 -13.077 9.869 1.00 0.00 H new ATOM 0 HG21 THR A 84 31.373 -12.227 9.782 1.00 0.00 H new ATOM 0 HG22 THR A 84 31.814 -11.256 8.357 1.00 0.00 H new ATOM 0 HG23 THR A 84 30.710 -10.588 9.582 1.00 0.00 H new ATOM 1263 N LEU A 85 29.113 -12.234 5.125 1.00 0.00 N ATOM 1264 CA LEU A 85 28.477 -12.991 4.022 1.00 0.00 C ATOM 1265 C LEU A 85 27.892 -14.331 4.529 1.00 0.00 C ATOM 1266 O LEU A 85 26.893 -14.825 3.996 1.00 0.00 O ATOM 1267 CB LEU A 85 29.518 -13.189 2.878 1.00 0.00 C ATOM 1268 CG LEU A 85 28.951 -13.495 1.444 1.00 0.00 C ATOM 1269 CD1 LEU A 85 29.926 -13.025 0.349 1.00 0.00 C ATOM 1270 CD2 LEU A 85 28.604 -14.983 1.263 1.00 0.00 C ATOM 0 H LEU A 85 30.116 -12.096 5.000 1.00 0.00 H new ATOM 0 HA LEU A 85 27.634 -12.426 3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 85 30.129 -12.288 2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 85 30.182 -14.006 3.161 1.00 0.00 H new ATOM 0 HG LEU A 85 28.024 -12.931 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 85 29.507 -13.250 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 85 30.083 -11.950 0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 85 30.879 -13.542 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 85 28.216 -15.146 0.258 1.00 0.00 H new ATOM 0 HD22 LEU A 85 29.500 -15.586 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 85 27.849 -15.272 1.994 1.00 0.00 H new ATOM 1282 N GLN A 86 28.525 -14.895 5.570 1.00 0.00 N ATOM 1283 CA GLN A 86 28.032 -16.098 6.264 1.00 0.00 C ATOM 1284 C GLN A 86 26.646 -15.843 6.893 1.00 0.00 C ATOM 1285 O GLN A 86 25.747 -16.675 6.774 1.00 0.00 O ATOM 1286 CB GLN A 86 29.041 -16.526 7.357 1.00 0.00 C ATOM 1287 CG GLN A 86 28.580 -17.706 8.238 1.00 0.00 C ATOM 1288 CD GLN A 86 29.621 -18.121 9.275 1.00 0.00 C ATOM 1289 OE1 GLN A 86 29.634 -17.626 10.405 1.00 0.00 O ATOM 1290 NE2 GLN A 86 30.509 -19.022 8.895 1.00 0.00 N ATOM 0 H GLN A 86 29.396 -14.529 5.956 1.00 0.00 H new ATOM 0 HA GLN A 86 27.932 -16.900 5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 86 29.982 -16.795 6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 86 29.244 -15.669 7.999 1.00 0.00 H new ATOM 0 HG2 GLN A 86 27.657 -17.432 8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 86 28.350 -18.560 7.600 1.00 0.00 H new ATOM 0 HE21 GLN A 86 30.470 -19.411 7.953 1.00 0.00 H new ATOM 0 HE22 GLN A 86 31.234 -19.329 9.544 1.00 0.00 H new ATOM 1299 N ASP A 87 26.499 -14.661 7.539 1.00 0.00 N ATOM 1300 CA ASP A 87 25.241 -14.235 8.193 1.00 0.00 C ATOM 1301 C ASP A 87 24.090 -14.164 7.175 1.00 0.00 C ATOM 1302 O ASP A 87 22.957 -14.463 7.500 1.00 0.00 O ATOM 1303 CB ASP A 87 25.421 -12.862 8.909 1.00 0.00 C ATOM 1304 CG ASP A 87 24.335 -12.578 9.967 1.00 0.00 C ATOM 1305 OD1 ASP A 87 24.377 -13.199 11.051 1.00 0.00 O ATOM 1306 OD2 ASP A 87 23.445 -11.742 9.731 1.00 0.00 O ATOM 0 H ASP A 87 27.251 -13.977 7.620 1.00 0.00 H new ATOM 0 HA ASP A 87 24.988 -14.982 8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 87 26.400 -12.835 9.387 1.00 0.00 H new ATOM 0 HB3 ASP A 87 25.409 -12.067 8.163 1.00 0.00 H new ATOM 1311 N ALA A 88 24.422 -13.804 5.928 1.00 0.00 N ATOM 1312 CA ALA A 88 23.455 -13.701 4.817 1.00 0.00 C ATOM 1313 C ALA A 88 22.839 -15.049 4.424 1.00 0.00 C ATOM 1314 O ALA A 88 21.764 -15.089 3.830 1.00 0.00 O ATOM 1315 CB ALA A 88 24.143 -13.081 3.613 1.00 0.00 C ATOM 0 H ALA A 88 25.377 -13.573 5.655 1.00 0.00 H new ATOM 0 HA ALA A 88 22.634 -13.072 5.162 1.00 0.00 H new ATOM 0 HB1 ALA A 88 23.434 -13.002 2.789 1.00 0.00 H new ATOM 0 HB2 ALA A 88 24.508 -12.088 3.874 1.00 0.00 H new ATOM 0 HB3 ALA A 88 24.982 -13.708 3.311 1.00 0.00 H new ATOM 1321 N ILE A 89 23.546 -16.139 4.734 1.00 0.00 N ATOM 1322 CA ILE A 89 23.102 -17.503 4.410 1.00 0.00 C ATOM 1323 C ILE A 89 22.341 -18.108 5.612 1.00 0.00 C ATOM 1324 O ILE A 89 21.214 -18.596 5.467 1.00 0.00 O ATOM 1325 CB ILE A 89 24.340 -18.403 4.027 1.00 0.00 C ATOM 1326 CG1 ILE A 89 25.220 -17.699 2.934 1.00 0.00 C ATOM 1327 CG2 ILE A 89 23.883 -19.806 3.540 1.00 0.00 C ATOM 1328 CD1 ILE A 89 26.612 -18.294 2.738 1.00 0.00 C ATOM 0 H ILE A 89 24.444 -16.104 5.217 1.00 0.00 H new ATOM 0 HA ILE A 89 22.428 -17.464 3.554 1.00 0.00 H new ATOM 0 HB ILE A 89 24.946 -18.538 4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 89 24.689 -17.737 1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 89 25.326 -16.647 3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 89 24.757 -20.404 3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 89 23.324 -20.302 4.333 1.00 0.00 H new ATOM 0 HG23 ILE A 89 23.247 -19.697 2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 89 27.139 -17.738 1.963 1.00 0.00 H new ATOM 0 HD12 ILE A 89 27.169 -18.231 3.673 1.00 0.00 H new ATOM 0 HD13 ILE A 89 26.522 -19.338 2.439 1.00 0.00 H new ATOM 1340 N LYS A 90 22.971 -18.040 6.804 1.00 0.00 N ATOM 1341 CA LYS A 90 22.444 -18.667 8.042 1.00 0.00 C ATOM 1342 C LYS A 90 21.270 -17.872 8.646 1.00 0.00 C ATOM 1343 O LYS A 90 20.384 -18.446 9.284 1.00 0.00 O ATOM 1344 CB LYS A 90 23.566 -18.813 9.116 1.00 0.00 C ATOM 1345 CG LYS A 90 24.230 -17.478 9.552 1.00 0.00 C ATOM 1346 CD LYS A 90 25.164 -17.617 10.775 1.00 0.00 C ATOM 1347 CE LYS A 90 25.697 -16.258 11.258 1.00 0.00 C ATOM 1348 NZ LYS A 90 26.582 -16.380 12.442 1.00 0.00 N ATOM 0 H LYS A 90 23.856 -17.552 6.939 1.00 0.00 H new ATOM 0 HA LYS A 90 22.079 -19.653 7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 90 23.145 -19.297 9.997 1.00 0.00 H new ATOM 0 HB3 LYS A 90 24.338 -19.476 8.726 1.00 0.00 H new ATOM 0 HG2 LYS A 90 24.800 -17.076 8.715 1.00 0.00 H new ATOM 0 HG3 LYS A 90 23.449 -16.753 9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 90 24.625 -18.103 11.588 1.00 0.00 H new ATOM 0 HD3 LYS A 90 26.003 -18.263 10.517 1.00 0.00 H new ATOM 0 HE2 LYS A 90 26.245 -15.778 10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 90 24.857 -15.609 11.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 26.913 -15.436 12.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 26.054 -16.813 13.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 27.400 -16.977 12.204 1.00 0.00 H new ATOM 1362 N ASN A 91 21.272 -16.553 8.434 1.00 0.00 N ATOM 1363 CA ASN A 91 20.365 -15.624 9.138 1.00 0.00 C ATOM 1364 C ASN A 91 19.585 -14.757 8.138 1.00 0.00 C ATOM 1365 O ASN A 91 19.032 -13.744 8.531 1.00 0.00 O ATOM 1366 CB ASN A 91 21.205 -14.716 10.086 1.00 0.00 C ATOM 1367 CG ASN A 91 20.352 -13.933 11.080 1.00 0.00 C ATOM 1368 OD1 ASN A 91 19.417 -14.475 11.664 1.00 0.00 O ATOM 1369 ND2 ASN A 91 20.610 -12.644 11.215 1.00 0.00 N ATOM 0 H ASN A 91 21.898 -16.094 7.773 1.00 0.00 H new ATOM 0 HA ASN A 91 19.645 -16.202 9.717 1.00 0.00 H new ATOM 0 HB2 ASN A 91 21.916 -15.334 10.635 1.00 0.00 H new ATOM 0 HB3 ASN A 91 21.787 -14.016 9.487 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.024 -12.067 11.819 1.00 0.00 H new ATOM 0 HD22 ASN A 91 21.395 -12.226 10.715 1.00 0.00 H new ATOM 1376 N ALA A 92 19.515 -15.188 6.864 1.00 0.00 N ATOM 1377 CA ALA A 92 18.896 -14.403 5.764 1.00 0.00 C ATOM 1378 C ALA A 92 17.548 -13.777 6.156 1.00 0.00 C ATOM 1379 O ALA A 92 17.384 -12.545 6.136 1.00 0.00 O ATOM 1380 CB ALA A 92 18.720 -15.292 4.537 1.00 0.00 C ATOM 0 H ALA A 92 19.884 -16.090 6.562 1.00 0.00 H new ATOM 0 HA ALA A 92 19.572 -13.577 5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 92 18.266 -14.715 3.732 1.00 0.00 H new ATOM 0 HB2 ALA A 92 19.693 -15.663 4.214 1.00 0.00 H new ATOM 0 HB3 ALA A 92 18.075 -16.134 4.788 1.00 0.00 H new ATOM 1386 N ALA A 93 16.617 -14.649 6.573 1.00 0.00 N ATOM 1387 CA ALA A 93 15.270 -14.246 6.988 1.00 0.00 C ATOM 1388 C ALA A 93 15.313 -13.304 8.195 1.00 0.00 C ATOM 1389 O ALA A 93 14.524 -12.359 8.264 1.00 0.00 O ATOM 1390 CB ALA A 93 14.419 -15.488 7.280 1.00 0.00 C ATOM 0 H ALA A 93 16.780 -15.654 6.631 1.00 0.00 H new ATOM 0 HA ALA A 93 14.809 -13.693 6.170 1.00 0.00 H new ATOM 0 HB1 ALA A 93 13.420 -15.180 7.588 1.00 0.00 H new ATOM 0 HB2 ALA A 93 14.349 -16.101 6.381 1.00 0.00 H new ATOM 0 HB3 ALA A 93 14.882 -16.067 8.079 1.00 0.00 H new ATOM 1396 N GLY A 94 16.277 -13.555 9.107 1.00 0.00 N ATOM 1397 CA GLY A 94 16.467 -12.761 10.311 1.00 0.00 C ATOM 1398 C GLY A 94 16.821 -11.326 9.981 1.00 0.00 C ATOM 1399 O GLY A 94 16.096 -10.418 10.358 1.00 0.00 O ATOM 0 H GLY A 94 16.943 -14.322 9.015 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.557 -12.783 10.910 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.258 -13.202 10.917 1.00 0.00 H new ATOM 1403 N ILE A 95 17.905 -11.161 9.208 1.00 0.00 N ATOM 1404 CA ILE A 95 18.444 -9.858 8.771 1.00 0.00 C ATOM 1405 C ILE A 95 17.328 -8.950 8.236 1.00 0.00 C ATOM 1406 O ILE A 95 17.108 -7.863 8.773 1.00 0.00 O ATOM 1407 CB ILE A 95 19.517 -10.069 7.645 1.00 0.00 C ATOM 1408 CG1 ILE A 95 20.673 -10.976 8.141 1.00 0.00 C ATOM 1409 CG2 ILE A 95 20.072 -8.718 7.106 1.00 0.00 C ATOM 1410 CD1 ILE A 95 21.409 -11.669 7.026 1.00 0.00 C ATOM 0 H ILE A 95 18.448 -11.950 8.858 1.00 0.00 H new ATOM 0 HA ILE A 95 18.903 -9.380 9.636 1.00 0.00 H new ATOM 0 HB ILE A 95 19.016 -10.569 6.817 1.00 0.00 H new ATOM 0 HG12 ILE A 95 21.379 -10.373 8.712 1.00 0.00 H new ATOM 0 HG13 ILE A 95 20.270 -11.726 8.822 1.00 0.00 H new ATOM 0 HG21 ILE A 95 20.811 -8.912 6.329 1.00 0.00 H new ATOM 0 HG22 ILE A 95 19.255 -8.129 6.690 1.00 0.00 H new ATOM 0 HG23 ILE A 95 20.539 -8.165 7.921 1.00 0.00 H new ATOM 0 HD11 ILE A 95 22.204 -12.287 7.444 1.00 0.00 H new ATOM 0 HD12 ILE A 95 20.716 -12.298 6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 95 21.841 -10.924 6.357 1.00 0.00 H new ATOM 1422 N ILE A 96 16.613 -9.446 7.206 1.00 0.00 N ATOM 1423 CA ILE A 96 15.555 -8.681 6.527 1.00 0.00 C ATOM 1424 C ILE A 96 14.461 -8.231 7.525 1.00 0.00 C ATOM 1425 O ILE A 96 14.190 -7.032 7.620 1.00 0.00 O ATOM 1426 CB ILE A 96 14.944 -9.490 5.303 1.00 0.00 C ATOM 1427 CG1 ILE A 96 15.870 -9.382 4.041 1.00 0.00 C ATOM 1428 CG2 ILE A 96 13.508 -9.046 4.941 1.00 0.00 C ATOM 1429 CD1 ILE A 96 17.186 -10.125 4.116 1.00 0.00 C ATOM 0 H ILE A 96 16.753 -10.382 6.826 1.00 0.00 H new ATOM 0 HA ILE A 96 16.010 -7.779 6.116 1.00 0.00 H new ATOM 0 HB ILE A 96 14.889 -10.530 5.626 1.00 0.00 H new ATOM 0 HG12 ILE A 96 15.317 -9.750 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 96 16.081 -8.328 3.859 1.00 0.00 H new ATOM 0 HG21 ILE A 96 13.147 -9.635 4.098 1.00 0.00 H new ATOM 0 HG22 ILE A 96 12.853 -9.199 5.798 1.00 0.00 H new ATOM 0 HG23 ILE A 96 13.511 -7.990 4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 96 17.740 -9.978 3.189 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.771 -9.745 4.953 1.00 0.00 H new ATOM 0 HD13 ILE A 96 16.996 -11.189 4.260 1.00 0.00 H new ATOM 1441 N LYS A 97 13.882 -9.182 8.302 1.00 0.00 N ATOM 1442 CA LYS A 97 12.765 -8.871 9.244 1.00 0.00 C ATOM 1443 C LYS A 97 13.220 -7.956 10.401 1.00 0.00 C ATOM 1444 O LYS A 97 12.405 -7.229 10.974 1.00 0.00 O ATOM 1445 CB LYS A 97 12.072 -10.167 9.785 1.00 0.00 C ATOM 1446 CG LYS A 97 12.965 -11.153 10.601 1.00 0.00 C ATOM 1447 CD LYS A 97 13.191 -10.798 12.093 1.00 0.00 C ATOM 1448 CE LYS A 97 11.895 -10.725 12.913 1.00 0.00 C ATOM 1449 NZ LYS A 97 12.178 -10.525 14.353 1.00 0.00 N ATOM 0 H LYS A 97 14.164 -10.162 8.299 1.00 0.00 H new ATOM 0 HA LYS A 97 12.021 -8.321 8.668 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.234 -9.867 10.414 1.00 0.00 H new ATOM 0 HB3 LYS A 97 11.655 -10.709 8.936 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.516 -12.145 10.549 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.938 -11.218 10.113 1.00 0.00 H new ATOM 0 HD2 LYS A 97 13.851 -11.542 12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 97 13.705 -9.839 12.155 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.275 -9.907 12.545 1.00 0.00 H new ATOM 0 HE3 LYS A 97 11.324 -11.643 12.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.608 -11.190 14.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 13.188 -10.695 14.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 11.937 -9.550 14.622 1.00 0.00 H new ATOM 1463 N GLU A 98 14.520 -8.032 10.744 1.00 0.00 N ATOM 1464 CA GLU A 98 15.137 -7.214 11.805 1.00 0.00 C ATOM 1465 C GLU A 98 15.200 -5.750 11.359 1.00 0.00 C ATOM 1466 O GLU A 98 14.988 -4.843 12.163 1.00 0.00 O ATOM 1467 CB GLU A 98 16.559 -7.754 12.159 1.00 0.00 C ATOM 1468 CG GLU A 98 16.582 -9.039 13.017 1.00 0.00 C ATOM 1469 CD GLU A 98 16.021 -8.858 14.435 1.00 0.00 C ATOM 1470 OE1 GLU A 98 16.766 -8.374 15.313 1.00 0.00 O ATOM 1471 OE2 GLU A 98 14.849 -9.209 14.686 1.00 0.00 O ATOM 0 H GLU A 98 15.176 -8.667 10.289 1.00 0.00 H new ATOM 0 HA GLU A 98 14.525 -7.278 12.705 1.00 0.00 H new ATOM 0 HB2 GLU A 98 17.098 -7.946 11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 98 17.105 -6.973 12.689 1.00 0.00 H new ATOM 0 HG2 GLU A 98 16.009 -9.813 12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 98 17.609 -9.397 13.087 1.00 0.00 H new ATOM 1478 N ILE A 99 15.453 -5.525 10.055 1.00 0.00 N ATOM 1479 CA ILE A 99 15.544 -4.161 9.495 1.00 0.00 C ATOM 1480 C ILE A 99 14.126 -3.607 9.307 1.00 0.00 C ATOM 1481 O ILE A 99 13.859 -2.440 9.578 1.00 0.00 O ATOM 1482 CB ILE A 99 16.320 -4.134 8.131 1.00 0.00 C ATOM 1483 CG1 ILE A 99 17.701 -4.855 8.262 1.00 0.00 C ATOM 1484 CG2 ILE A 99 16.506 -2.670 7.644 1.00 0.00 C ATOM 1485 CD1 ILE A 99 18.339 -5.242 6.936 1.00 0.00 C ATOM 0 H ILE A 99 15.598 -6.268 9.371 1.00 0.00 H new ATOM 0 HA ILE A 99 16.105 -3.540 10.193 1.00 0.00 H new ATOM 0 HB ILE A 99 15.730 -4.672 7.389 1.00 0.00 H new ATOM 0 HG12 ILE A 99 18.387 -4.204 8.804 1.00 0.00 H new ATOM 0 HG13 ILE A 99 17.572 -5.754 8.865 1.00 0.00 H new ATOM 0 HG21 ILE A 99 17.046 -2.667 6.697 1.00 0.00 H new ATOM 0 HG22 ILE A 99 15.530 -2.205 7.506 1.00 0.00 H new ATOM 0 HG23 ILE A 99 17.073 -2.109 8.387 1.00 0.00 H new ATOM 0 HD11 ILE A 99 19.293 -5.736 7.122 1.00 0.00 H new ATOM 0 HD12 ILE A 99 17.677 -5.921 6.398 1.00 0.00 H new ATOM 0 HD13 ILE A 99 18.505 -4.347 6.337 1.00 0.00 H new ATOM 1497 N GLU A 100 13.235 -4.511 8.869 1.00 0.00 N ATOM 1498 CA GLU A 100 11.803 -4.250 8.679 1.00 0.00 C ATOM 1499 C GLU A 100 11.155 -3.728 9.959 1.00 0.00 C ATOM 1500 O GLU A 100 10.455 -2.731 9.914 1.00 0.00 O ATOM 1501 CB GLU A 100 11.097 -5.554 8.207 1.00 0.00 C ATOM 1502 CG GLU A 100 11.381 -5.928 6.742 1.00 0.00 C ATOM 1503 CD GLU A 100 10.530 -5.113 5.755 1.00 0.00 C ATOM 1504 OE1 GLU A 100 10.931 -3.987 5.394 1.00 0.00 O ATOM 1505 OE2 GLU A 100 9.435 -5.580 5.362 1.00 0.00 O ATOM 0 H GLU A 100 13.499 -5.467 8.632 1.00 0.00 H new ATOM 0 HA GLU A 100 11.691 -3.478 7.918 1.00 0.00 H new ATOM 0 HB2 GLU A 100 11.412 -6.377 8.848 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.021 -5.440 8.340 1.00 0.00 H new ATOM 0 HG2 GLU A 100 12.437 -5.767 6.527 1.00 0.00 H new ATOM 0 HG3 GLU A 100 11.185 -6.990 6.596 1.00 0.00 H new ATOM 1512 N GLU A 101 11.422 -4.401 11.097 1.00 0.00 N ATOM 1513 CA GLU A 101 10.823 -4.028 12.384 1.00 0.00 C ATOM 1514 C GLU A 101 11.470 -2.759 12.952 1.00 0.00 C ATOM 1515 O GLU A 101 10.785 -1.970 13.584 1.00 0.00 O ATOM 1516 CB GLU A 101 10.889 -5.180 13.415 1.00 0.00 C ATOM 1517 CG GLU A 101 12.301 -5.584 13.878 1.00 0.00 C ATOM 1518 CD GLU A 101 12.274 -6.567 15.050 1.00 0.00 C ATOM 1519 OE1 GLU A 101 12.083 -7.771 14.821 1.00 0.00 O ATOM 1520 OE2 GLU A 101 12.380 -6.122 16.214 1.00 0.00 O ATOM 0 H GLU A 101 12.049 -5.204 11.145 1.00 0.00 H new ATOM 0 HA GLU A 101 9.770 -3.822 12.191 1.00 0.00 H new ATOM 0 HB2 GLU A 101 10.308 -4.892 14.291 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.404 -6.056 12.985 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.839 -6.033 13.043 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.854 -4.691 14.170 1.00 0.00 H new ATOM 1527 N MET A 102 12.787 -2.560 12.710 1.00 0.00 N ATOM 1528 CA MET A 102 13.496 -1.338 13.154 1.00 0.00 C ATOM 1529 C MET A 102 12.860 -0.093 12.509 1.00 0.00 C ATOM 1530 O MET A 102 12.455 0.846 13.210 1.00 0.00 O ATOM 1531 CB MET A 102 15.027 -1.411 12.847 1.00 0.00 C ATOM 1532 CG MET A 102 15.823 -2.321 13.806 1.00 0.00 C ATOM 1533 SD MET A 102 17.625 -2.239 13.583 1.00 0.00 S ATOM 1534 CE MET A 102 17.845 -2.832 11.905 1.00 0.00 C ATOM 0 H MET A 102 13.377 -3.227 12.212 1.00 0.00 H new ATOM 0 HA MET A 102 13.392 -1.263 14.236 1.00 0.00 H new ATOM 0 HB2 MET A 102 15.165 -1.769 11.827 1.00 0.00 H new ATOM 0 HB3 MET A 102 15.443 -0.404 12.890 1.00 0.00 H new ATOM 0 HG2 MET A 102 15.582 -2.047 14.833 1.00 0.00 H new ATOM 0 HG3 MET A 102 15.497 -3.352 13.666 1.00 0.00 H new ATOM 0 HE1 MET A 102 18.909 -2.895 11.678 1.00 0.00 H new ATOM 0 HE2 MET A 102 17.394 -3.819 11.806 1.00 0.00 H new ATOM 0 HE3 MET A 102 17.366 -2.143 11.210 1.00 0.00 H new ATOM 1544 N ILE A 103 12.713 -0.140 11.174 1.00 0.00 N ATOM 1545 CA ILE A 103 12.089 0.939 10.392 1.00 0.00 C ATOM 1546 C ILE A 103 10.589 1.075 10.753 1.00 0.00 C ATOM 1547 O ILE A 103 10.107 2.171 10.998 1.00 0.00 O ATOM 1548 CB ILE A 103 12.242 0.701 8.838 1.00 0.00 C ATOM 1549 CG1 ILE A 103 13.749 0.545 8.444 1.00 0.00 C ATOM 1550 CG2 ILE A 103 11.572 1.840 8.016 1.00 0.00 C ATOM 1551 CD1 ILE A 103 14.007 0.272 6.968 1.00 0.00 C ATOM 0 H ILE A 103 13.024 -0.929 10.607 1.00 0.00 H new ATOM 0 HA ILE A 103 12.608 1.863 10.646 1.00 0.00 H new ATOM 0 HB ILE A 103 11.726 -0.228 8.596 1.00 0.00 H new ATOM 0 HG12 ILE A 103 14.278 1.455 8.727 1.00 0.00 H new ATOM 0 HG13 ILE A 103 14.179 -0.269 9.028 1.00 0.00 H new ATOM 0 HG21 ILE A 103 11.697 1.643 6.951 1.00 0.00 H new ATOM 0 HG22 ILE A 103 10.509 1.884 8.254 1.00 0.00 H new ATOM 0 HG23 ILE A 103 12.040 2.792 8.266 1.00 0.00 H new ATOM 0 HD11 ILE A 103 15.080 0.180 6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 103 13.513 -0.655 6.678 1.00 0.00 H new ATOM 0 HD13 ILE A 103 13.614 1.095 6.372 1.00 0.00 H new ATOM 1563 N ALA A 104 9.879 -0.062 10.835 1.00 0.00 N ATOM 1564 CA ALA A 104 8.419 -0.077 11.075 1.00 0.00 C ATOM 1565 C ALA A 104 8.058 0.441 12.480 1.00 0.00 C ATOM 1566 O ALA A 104 7.017 1.049 12.658 1.00 0.00 O ATOM 1567 CB ALA A 104 7.836 -1.486 10.869 1.00 0.00 C ATOM 0 H ALA A 104 10.292 -0.990 10.739 1.00 0.00 H new ATOM 0 HA ALA A 104 7.976 0.599 10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.762 -1.466 11.052 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.023 -1.811 9.846 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.309 -2.181 11.563 1.00 0.00 H new ATOM 1573 N SER A 105 8.943 0.218 13.467 1.00 0.00 N ATOM 1574 CA SER A 105 8.667 0.592 14.873 1.00 0.00 C ATOM 1575 C SER A 105 9.006 2.063 15.149 1.00 0.00 C ATOM 1576 O SER A 105 8.459 2.657 16.085 1.00 0.00 O ATOM 1577 CB SER A 105 9.413 -0.331 15.854 1.00 0.00 C ATOM 1578 OG SER A 105 8.996 -1.675 15.707 1.00 0.00 O ATOM 0 H SER A 105 9.854 -0.218 13.322 1.00 0.00 H new ATOM 0 HA SER A 105 7.596 0.464 15.032 1.00 0.00 H new ATOM 0 HB2 SER A 105 10.487 -0.259 15.680 1.00 0.00 H new ATOM 0 HB3 SER A 105 9.233 -0.001 16.877 1.00 0.00 H new ATOM 0 HG SER A 105 9.499 -2.096 14.979 1.00 0.00 H new ATOM 1584 N GLU A 106 9.925 2.647 14.352 1.00 0.00 N ATOM 1585 CA GLU A 106 10.237 4.090 14.442 1.00 0.00 C ATOM 1586 C GLU A 106 9.238 4.926 13.606 1.00 0.00 C ATOM 1587 O GLU A 106 8.920 6.061 13.973 1.00 0.00 O ATOM 1588 CB GLU A 106 11.707 4.381 14.018 1.00 0.00 C ATOM 1589 CG GLU A 106 12.057 3.979 12.581 1.00 0.00 C ATOM 1590 CD GLU A 106 13.494 4.333 12.177 1.00 0.00 C ATOM 1591 OE1 GLU A 106 14.415 3.537 12.457 1.00 0.00 O ATOM 1592 OE2 GLU A 106 13.706 5.418 11.598 1.00 0.00 O ATOM 0 H GLU A 106 10.461 2.146 13.643 1.00 0.00 H new ATOM 0 HA GLU A 106 10.132 4.387 15.485 1.00 0.00 H new ATOM 0 HB2 GLU A 106 11.900 5.447 14.139 1.00 0.00 H new ATOM 0 HB3 GLU A 106 12.377 3.857 14.700 1.00 0.00 H new ATOM 0 HG2 GLU A 106 11.911 2.905 12.467 1.00 0.00 H new ATOM 0 HG3 GLU A 106 11.365 4.469 11.897 1.00 0.00 H new ATOM 1599 N GLN A 107 8.733 4.354 12.487 1.00 0.00 N ATOM 1600 CA GLN A 107 7.785 5.052 11.584 1.00 0.00 C ATOM 1601 C GLN A 107 6.331 4.922 12.090 1.00 0.00 C ATOM 1602 O GLN A 107 5.525 5.839 11.911 1.00 0.00 O ATOM 1603 CB GLN A 107 7.907 4.521 10.127 1.00 0.00 C ATOM 1604 CG GLN A 107 9.295 4.719 9.456 1.00 0.00 C ATOM 1605 CD GLN A 107 9.725 6.179 9.207 1.00 0.00 C ATOM 1606 OE1 GLN A 107 9.377 7.100 9.941 1.00 0.00 O ATOM 1607 NE2 GLN A 107 10.495 6.396 8.153 1.00 0.00 N ATOM 0 H GLN A 107 8.967 3.408 12.187 1.00 0.00 H new ATOM 0 HA GLN A 107 8.049 6.110 11.585 1.00 0.00 H new ATOM 0 HB2 GLN A 107 7.671 3.457 10.126 1.00 0.00 H new ATOM 0 HB3 GLN A 107 7.153 5.015 9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 107 10.050 4.241 10.080 1.00 0.00 H new ATOM 0 HG3 GLN A 107 9.292 4.194 8.501 1.00 0.00 H new ATOM 0 HE21 GLN A 107 10.773 5.617 7.556 1.00 0.00 H new ATOM 0 HE22 GLN A 107 10.810 7.342 7.938 1.00 0.00 H new ATOM 1616 N GLN A 108 6.008 3.781 12.719 1.00 0.00 N ATOM 1617 CA GLN A 108 4.677 3.524 13.313 1.00 0.00 C ATOM 1618 C GLN A 108 4.794 3.618 14.855 1.00 0.00 C ATOM 1619 O GLN A 108 5.291 2.657 15.484 1.00 0.00 O ATOM 1620 CB GLN A 108 4.133 2.125 12.866 1.00 0.00 C ATOM 1621 CG GLN A 108 4.035 1.919 11.340 1.00 0.00 C ATOM 1622 CD GLN A 108 3.006 2.829 10.671 1.00 0.00 C ATOM 1623 OE1 GLN A 108 1.833 2.472 10.554 1.00 0.00 O ATOM 1624 NE2 GLN A 108 3.423 4.014 10.243 1.00 0.00 N ATOM 1625 OXT GLN A 108 4.438 4.673 15.429 1.00 0.00 O ATOM 0 H GLN A 108 6.661 3.006 12.833 1.00 0.00 H new ATOM 0 HA GLN A 108 3.965 4.272 12.963 1.00 0.00 H new ATOM 0 HB2 GLN A 108 4.779 1.352 13.281 1.00 0.00 H new ATOM 0 HB3 GLN A 108 3.144 1.981 13.301 1.00 0.00 H new ATOM 0 HG2 GLN A 108 5.013 2.098 10.893 1.00 0.00 H new ATOM 0 HG3 GLN A 108 3.777 0.880 11.137 1.00 0.00 H new ATOM 0 HE21 GLN A 108 4.401 4.281 10.354 1.00 0.00 H new ATOM 0 HE22 GLN A 108 2.765 4.658 9.803 1.00 0.00 H new