USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 710 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 Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl -146:sc= 0 (180deg=-0.0183) USER MOD Single : A 14 ASN : amide:sc= -0.0615 K(o=-0.061,f=-1.3!) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 GLN :FLIP amide:sc= -0.673 F(o=-2.4!,f=-0.67) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 89:sc= 1.14 USER MOD Single : A 21 GLN : amide:sc=-0.00364 X(o=-0.0036,f=-0.052) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -4.03! C(o=-5.2!,f=-4!) USER MOD Single : A 30 ASN :FLIP amide:sc= -0.0539 F(o=-1.4,f=-0.054) USER MOD Single : A 31 HIS : no HD1:sc= -4.18! C(o=-4.2!,f=-5.8!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 145:sc= -0.613 (180deg=-3.89!) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.1!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN :FLIP amide:sc= -0.731 F(o=-1.5,f=-0.73) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.556 K(o=-0.56,f=-1.2) USER MOD Single : A 53 LYS NZ :NH3+ -131:sc= 0.616 (180deg=-0.487) USER MOD Single : A 55 HIS : no HD1:sc= -9.43! C(o=-9.4!,f=-9.7!) USER MOD Single : A 56 TYR OH : rot 180:sc= -0.0756 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -146:sc= -0.267 (180deg=-1.27!) USER MOD Single : A 63 GLN : amide:sc= -0.962 K(o=-0.96,f=-3.4!) USER MOD Single : A 64 GLN : amide:sc= 0.0126 X(o=0.013,f=0) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.159 F(o=-0.9,f=-0.16) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -1.43 F(o=-2.2,f=-1.4) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot -131:sc= 0.0865 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -12.520 -5.777 -7.277 1.00 0.00 N ATOM 60 CA GLY A 7 -11.950 -7.031 -6.814 1.00 0.00 C ATOM 61 C GLY A 7 -10.699 -6.785 -5.968 1.00 0.00 C ATOM 62 O GLY A 7 -10.761 -6.808 -4.740 1.00 0.00 O ATOM 0 HA2 GLY A 7 -12.689 -7.576 -6.227 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.698 -7.658 -7.669 1.00 0.00 H new ATOM 66 N PRO A 8 -9.563 -6.550 -6.677 1.00 0.00 N ATOM 67 CA PRO A 8 -8.299 -6.300 -6.005 1.00 0.00 C ATOM 68 C PRO A 8 -8.263 -4.889 -5.413 1.00 0.00 C ATOM 69 O PRO A 8 -8.865 -3.967 -5.960 1.00 0.00 O ATOM 70 CB PRO A 8 -7.236 -6.525 -7.068 1.00 0.00 C ATOM 71 CG PRO A 8 -7.957 -6.437 -8.404 1.00 0.00 C ATOM 72 CD PRO A 8 -9.451 -6.515 -8.133 1.00 0.00 C ATOM 0 HA PRO A 8 -8.138 -6.961 -5.154 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.449 -5.774 -6.999 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -6.760 -7.498 -6.944 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -7.709 -5.504 -8.911 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.645 -7.249 -9.060 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.974 -5.654 -8.550 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -9.890 -7.405 -8.585 1.00 0.00 H new ATOM 80 N LYS A 9 -7.550 -4.767 -4.302 1.00 0.00 N ATOM 81 CA LYS A 9 -7.428 -3.485 -3.630 1.00 0.00 C ATOM 82 C LYS A 9 -5.987 -2.984 -3.755 1.00 0.00 C ATOM 83 O LYS A 9 -5.049 -3.677 -3.365 1.00 0.00 O ATOM 84 CB LYS A 9 -7.919 -3.588 -2.185 1.00 0.00 C ATOM 85 CG LYS A 9 -9.201 -2.778 -1.982 1.00 0.00 C ATOM 86 CD LYS A 9 -9.315 -2.285 -0.538 1.00 0.00 C ATOM 87 CE LYS A 9 -10.781 -2.142 -0.122 1.00 0.00 C ATOM 88 NZ LYS A 9 -10.976 -0.908 0.672 1.00 0.00 N ATOM 0 H LYS A 9 -7.052 -5.534 -3.851 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.068 -2.743 -4.107 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.101 -4.633 -1.933 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -7.145 -3.227 -1.508 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.209 -1.927 -2.662 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.067 -3.392 -2.230 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -8.810 -2.983 0.130 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.809 -1.325 -0.437 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.416 -2.116 -1.008 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.086 -3.010 0.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -11.976 -0.826 0.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.385 -0.948 1.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.705 -0.082 0.102 1.00 0.00 H new ATOM 102 N LYS A 10 -5.858 -1.783 -4.301 1.00 0.00 N ATOM 103 CA LYS A 10 -4.548 -1.181 -4.483 1.00 0.00 C ATOM 104 C LYS A 10 -3.685 -1.465 -3.251 1.00 0.00 C ATOM 105 O LYS A 10 -3.935 -0.922 -2.176 1.00 0.00 O ATOM 106 CB LYS A 10 -4.682 0.307 -4.809 1.00 0.00 C ATOM 107 CG LYS A 10 -3.502 0.793 -5.653 1.00 0.00 C ATOM 108 CD LYS A 10 -3.984 1.404 -6.970 1.00 0.00 C ATOM 109 CE LYS A 10 -3.713 0.460 -8.144 1.00 0.00 C ATOM 110 NZ LYS A 10 -3.974 1.144 -9.430 1.00 0.00 N ATOM 0 H LYS A 10 -6.639 -1.211 -4.623 1.00 0.00 H new ATOM 0 HA LYS A 10 -4.040 -1.626 -5.339 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.614 0.483 -5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.733 0.882 -3.884 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.930 1.533 -5.093 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -2.830 -0.040 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.051 1.616 -6.908 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.480 2.355 -7.140 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.679 0.117 -8.111 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.345 -0.424 -8.061 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -3.785 0.490 -10.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -4.967 1.450 -9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -3.353 1.974 -9.514 1.00 0.00 H new ATOM 124 N PRO A 11 -2.663 -2.338 -3.454 1.00 0.00 N ATOM 125 CA PRO A 11 -1.762 -2.700 -2.373 1.00 0.00 C ATOM 126 C PRO A 11 -0.780 -1.566 -2.073 1.00 0.00 C ATOM 127 O PRO A 11 -0.698 -0.596 -2.826 1.00 0.00 O ATOM 128 CB PRO A 11 -1.075 -3.972 -2.843 1.00 0.00 C ATOM 129 CG PRO A 11 -1.268 -4.018 -4.350 1.00 0.00 C ATOM 130 CD PRO A 11 -2.337 -3.001 -4.714 1.00 0.00 C ATOM 0 HA PRO A 11 -2.283 -2.869 -1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.016 -3.962 -2.585 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.511 -4.850 -2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.333 -3.789 -4.862 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.568 -5.017 -4.666 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.970 -2.289 -5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.213 -3.485 -5.145 1.00 0.00 H new ATOM 138 N PRO A 12 -0.041 -1.729 -0.943 1.00 0.00 N ATOM 139 CA PRO A 12 0.932 -0.730 -0.535 1.00 0.00 C ATOM 140 C PRO A 12 2.187 -0.798 -1.407 1.00 0.00 C ATOM 141 O PRO A 12 2.224 -1.536 -2.391 1.00 0.00 O ATOM 142 CB PRO A 12 1.209 -1.026 0.929 1.00 0.00 C ATOM 143 CG PRO A 12 0.741 -2.454 1.162 1.00 0.00 C ATOM 144 CD PRO A 12 -0.112 -2.864 -0.028 1.00 0.00 C ATOM 0 HA PRO A 12 0.566 0.289 -0.659 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.270 -0.921 1.155 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.675 -0.330 1.576 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.595 -3.123 1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.166 -2.522 2.085 1.00 0.00 H new ATOM 0 HD2 PRO A 12 0.269 -3.773 -0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.140 -3.067 0.273 1.00 0.00 H new ATOM 152 N MET A 13 3.184 -0.019 -1.015 1.00 0.00 N ATOM 153 CA MET A 13 4.438 0.018 -1.749 1.00 0.00 C ATOM 154 C MET A 13 5.606 0.360 -0.822 1.00 0.00 C ATOM 155 O MET A 13 5.415 0.996 0.214 1.00 0.00 O ATOM 156 CB MET A 13 4.347 1.062 -2.863 1.00 0.00 C ATOM 157 CG MET A 13 3.733 0.461 -4.129 1.00 0.00 C ATOM 158 SD MET A 13 4.889 0.580 -5.484 1.00 0.00 S ATOM 159 CE MET A 13 4.829 2.338 -5.790 1.00 0.00 C ATOM 0 H MET A 13 3.149 0.592 -0.199 1.00 0.00 H new ATOM 0 HA MET A 13 4.616 -0.968 -2.177 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.744 1.906 -2.527 1.00 0.00 H new ATOM 0 HB3 MET A 13 5.341 1.449 -3.085 1.00 0.00 H new ATOM 0 HG2 MET A 13 3.470 -0.582 -3.955 1.00 0.00 H new ATOM 0 HG3 MET A 13 2.811 0.985 -4.380 1.00 0.00 H new ATOM 0 HE1 MET A 13 4.952 2.526 -6.857 1.00 0.00 H new ATOM 0 HE2 MET A 13 3.867 2.732 -5.461 1.00 0.00 H new ATOM 0 HE3 MET A 13 5.630 2.831 -5.240 1.00 0.00 H new ATOM 169 N ASN A 14 6.789 -0.076 -1.228 1.00 0.00 N ATOM 170 CA ASN A 14 7.988 0.177 -0.447 1.00 0.00 C ATOM 171 C ASN A 14 7.843 -0.478 0.928 1.00 0.00 C ATOM 172 O ASN A 14 8.355 -1.574 1.155 1.00 0.00 O ATOM 173 CB ASN A 14 8.202 1.677 -0.236 1.00 0.00 C ATOM 174 CG ASN A 14 8.831 2.320 -1.474 1.00 0.00 C ATOM 175 OD1 ASN A 14 9.588 1.707 -2.207 1.00 0.00 O ATOM 176 ND2 ASN A 14 8.475 3.588 -1.664 1.00 0.00 N ATOM 0 H ASN A 14 6.943 -0.603 -2.088 1.00 0.00 H new ATOM 0 HA ASN A 14 8.838 -0.235 -0.991 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.248 2.157 -0.017 1.00 0.00 H new ATOM 0 HB3 ASN A 14 8.846 1.838 0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.841 4.106 -2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.836 4.042 -1.011 1.00 0.00 H new ATOM 183 N GLY A 15 7.143 0.220 1.810 1.00 0.00 N ATOM 184 CA GLY A 15 6.924 -0.279 3.157 1.00 0.00 C ATOM 185 C GLY A 15 6.333 0.808 4.056 1.00 0.00 C ATOM 186 O GLY A 15 5.583 0.511 4.984 1.00 0.00 O ATOM 0 H GLY A 15 6.720 1.128 1.618 1.00 0.00 H new ATOM 0 HA2 GLY A 15 6.251 -1.136 3.126 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.867 -0.630 3.576 1.00 0.00 H new ATOM 190 N TYR A 16 6.692 2.046 3.748 1.00 0.00 N ATOM 191 CA TYR A 16 6.207 3.179 4.517 1.00 0.00 C ATOM 192 C TYR A 16 4.701 3.368 4.323 1.00 0.00 C ATOM 193 O TYR A 16 3.986 3.695 5.269 1.00 0.00 O ATOM 194 CB TYR A 16 6.937 4.406 3.967 1.00 0.00 C ATOM 195 CG TYR A 16 6.377 5.739 4.466 1.00 0.00 C ATOM 196 CD1 TYR A 16 6.265 5.976 5.822 1.00 0.00 C ATOM 197 CD2 TYR A 16 5.984 6.705 3.562 1.00 0.00 C ATOM 198 CE1 TYR A 16 5.738 7.231 6.292 1.00 0.00 C ATOM 199 CE2 TYR A 16 5.457 7.960 4.033 1.00 0.00 C ATOM 200 CZ TYR A 16 5.360 8.161 5.374 1.00 0.00 C ATOM 201 OH TYR A 16 4.863 9.346 5.818 1.00 0.00 O ATOM 0 H TYR A 16 7.313 2.289 2.976 1.00 0.00 H new ATOM 0 HA TYR A 16 6.388 3.027 5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 16 7.990 4.342 4.239 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.888 4.388 2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 16 6.573 5.220 6.530 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.072 6.520 2.502 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.645 7.429 7.350 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.146 8.724 3.336 1.00 0.00 H new ATOM 0 HH TYR A 16 4.636 9.913 5.052 1.00 0.00 H new ATOM 211 N GLN A 17 4.263 3.152 3.091 1.00 0.00 N ATOM 212 CA GLN A 17 2.855 3.295 2.762 1.00 0.00 C ATOM 213 C GLN A 17 2.028 2.238 3.498 1.00 0.00 C ATOM 214 O GLN A 17 0.862 2.468 3.815 1.00 0.00 O ATOM 215 CB GLN A 17 2.634 3.208 1.250 1.00 0.00 C ATOM 216 CG GLN A 17 3.194 4.444 0.543 1.00 0.00 C ATOM 217 CD GLN A 17 2.617 4.576 -0.868 1.00 0.00 C ATOM 218 OE1 GLN A 17 2.376 3.413 -1.466 1.00 0.00 O flip ATOM 219 NE2 GLN A 17 2.403 5.663 -1.380 1.00 0.00 N flip ATOM 0 H GLN A 17 4.858 2.879 2.309 1.00 0.00 H new ATOM 0 HA GLN A 17 2.524 4.281 3.089 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.116 2.312 0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 17 1.569 3.115 1.039 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.957 5.337 1.122 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.281 4.377 0.491 1.00 0.00 H new ATOM 0 HE21 GLN A 17 2.611 6.519 -0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.016 5.716 -2.322 1.00 0.00 H new ATOM 228 N LYS A 18 2.665 1.104 3.749 1.00 0.00 N ATOM 229 CA LYS A 18 2.003 0.012 4.442 1.00 0.00 C ATOM 230 C LYS A 18 1.680 0.443 5.874 1.00 0.00 C ATOM 231 O LYS A 18 0.513 0.515 6.257 1.00 0.00 O ATOM 232 CB LYS A 18 2.844 -1.264 4.359 1.00 0.00 C ATOM 233 CG LYS A 18 2.405 -2.280 5.415 1.00 0.00 C ATOM 234 CD LYS A 18 0.924 -2.631 5.257 1.00 0.00 C ATOM 235 CE LYS A 18 0.722 -4.147 5.218 1.00 0.00 C ATOM 236 NZ LYS A 18 -0.218 -4.571 6.279 1.00 0.00 N ATOM 0 H LYS A 18 3.632 0.918 3.485 1.00 0.00 H new ATOM 0 HA LYS A 18 1.055 -0.226 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.749 -1.703 3.366 1.00 0.00 H new ATOM 0 HB3 LYS A 18 3.897 -1.020 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.008 -3.184 5.328 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.582 -1.874 6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.355 -2.206 6.084 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.536 -2.185 4.341 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.337 -4.444 4.242 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.679 -4.651 5.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.344 -5.603 6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.165 -4.305 7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -1.136 -4.104 6.136 1.00 0.00 H new ATOM 250 N PHE A 19 2.735 0.719 6.627 1.00 0.00 N ATOM 251 CA PHE A 19 2.579 1.141 8.008 1.00 0.00 C ATOM 252 C PHE A 19 1.633 2.340 8.112 1.00 0.00 C ATOM 253 O PHE A 19 0.772 2.382 8.989 1.00 0.00 O ATOM 254 CB PHE A 19 3.964 1.555 8.509 1.00 0.00 C ATOM 255 CG PHE A 19 3.939 2.389 9.792 1.00 0.00 C ATOM 256 CD1 PHE A 19 3.481 1.842 10.950 1.00 0.00 C ATOM 257 CD2 PHE A 19 4.373 3.678 9.774 1.00 0.00 C ATOM 258 CE1 PHE A 19 3.457 2.616 12.140 1.00 0.00 C ATOM 259 CE2 PHE A 19 4.350 4.452 10.964 1.00 0.00 C ATOM 260 CZ PHE A 19 3.892 3.904 12.122 1.00 0.00 C ATOM 0 H PHE A 19 3.701 0.658 6.306 1.00 0.00 H new ATOM 0 HA PHE A 19 2.159 0.328 8.600 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.559 0.658 8.682 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.466 2.125 7.727 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.136 0.819 10.964 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.735 4.113 8.854 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.093 2.182 13.059 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.696 5.475 10.950 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.874 4.492 13.027 1.00 0.00 H new ATOM 270 N SER A 20 1.826 3.285 7.203 1.00 0.00 N ATOM 271 CA SER A 20 1.001 4.481 7.181 1.00 0.00 C ATOM 272 C SER A 20 -0.478 4.095 7.108 1.00 0.00 C ATOM 273 O SER A 20 -1.249 4.403 8.016 1.00 0.00 O ATOM 274 CB SER A 20 1.372 5.384 6.004 1.00 0.00 C ATOM 275 OG SER A 20 2.729 5.816 6.069 1.00 0.00 O ATOM 0 H SER A 20 2.541 3.247 6.477 1.00 0.00 H new ATOM 0 HA SER A 20 1.180 5.037 8.101 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.207 4.848 5.070 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.715 6.254 5.993 1.00 0.00 H new ATOM 0 HG SER A 20 3.302 5.166 5.611 1.00 0.00 H new ATOM 281 N GLN A 21 -0.829 3.427 6.020 1.00 0.00 N ATOM 282 CA GLN A 21 -2.202 2.996 5.817 1.00 0.00 C ATOM 283 C GLN A 21 -2.779 2.433 7.117 1.00 0.00 C ATOM 284 O GLN A 21 -3.971 2.578 7.386 1.00 0.00 O ATOM 285 CB GLN A 21 -2.293 1.970 4.686 1.00 0.00 C ATOM 286 CG GLN A 21 -2.695 2.638 3.370 1.00 0.00 C ATOM 287 CD GLN A 21 -3.502 1.679 2.492 1.00 0.00 C ATOM 288 OE1 GLN A 21 -3.213 0.498 2.391 1.00 0.00 O ATOM 289 NE2 GLN A 21 -4.525 2.251 1.864 1.00 0.00 N ATOM 0 H GLN A 21 -0.187 3.173 5.269 1.00 0.00 H new ATOM 0 HA GLN A 21 -2.795 3.863 5.525 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -1.332 1.470 4.565 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.021 1.202 4.945 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -3.285 3.531 3.577 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -1.802 2.962 2.835 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -4.711 3.246 1.993 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.124 1.695 1.253 1.00 0.00 H new ATOM 298 N GLU A 22 -1.907 1.801 7.889 1.00 0.00 N ATOM 299 CA GLU A 22 -2.316 1.215 9.154 1.00 0.00 C ATOM 300 C GLU A 22 -2.742 2.310 10.134 1.00 0.00 C ATOM 301 O GLU A 22 -3.765 2.183 10.805 1.00 0.00 O ATOM 302 CB GLU A 22 -1.197 0.355 9.746 1.00 0.00 C ATOM 303 CG GLU A 22 -1.762 -0.911 10.394 1.00 0.00 C ATOM 304 CD GLU A 22 -1.047 -2.159 9.874 1.00 0.00 C ATOM 305 OE1 GLU A 22 0.034 -2.464 10.422 1.00 0.00 O ATOM 306 OE2 GLU A 22 -1.598 -2.781 8.939 1.00 0.00 O ATOM 0 H GLU A 22 -0.920 1.682 7.663 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.172 0.565 8.971 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.490 0.082 8.962 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.644 0.932 10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.653 -0.849 11.477 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.829 -0.985 10.185 1.00 0.00 H new ATOM 313 N LEU A 23 -1.937 3.361 10.184 1.00 0.00 N ATOM 314 CA LEU A 23 -2.218 4.477 11.070 1.00 0.00 C ATOM 315 C LEU A 23 -3.450 5.229 10.561 1.00 0.00 C ATOM 316 O LEU A 23 -4.164 5.857 11.341 1.00 0.00 O ATOM 317 CB LEU A 23 -0.980 5.362 11.228 1.00 0.00 C ATOM 318 CG LEU A 23 0.208 4.729 11.956 1.00 0.00 C ATOM 319 CD1 LEU A 23 1.532 5.157 11.321 1.00 0.00 C ATOM 320 CD2 LEU A 23 0.163 5.042 13.453 1.00 0.00 C ATOM 0 H LEU A 23 -1.090 3.463 9.625 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.454 4.117 12.072 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.650 5.672 10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.270 6.266 11.764 1.00 0.00 H new ATOM 0 HG LEU A 23 0.136 3.647 11.850 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.360 4.693 11.858 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.554 4.842 10.278 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.627 6.241 11.375 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.018 4.581 13.947 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.198 6.121 13.600 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.759 4.647 13.880 1.00 0.00 H new ATOM 332 N LEU A 24 -3.661 5.139 9.256 1.00 0.00 N ATOM 333 CA LEU A 24 -4.793 5.803 8.634 1.00 0.00 C ATOM 334 C LEU A 24 -6.059 4.979 8.878 1.00 0.00 C ATOM 335 O LEU A 24 -7.161 5.524 8.912 1.00 0.00 O ATOM 336 CB LEU A 24 -4.510 6.072 7.154 1.00 0.00 C ATOM 337 CG LEU A 24 -3.495 7.177 6.855 1.00 0.00 C ATOM 338 CD1 LEU A 24 -3.617 7.656 5.407 1.00 0.00 C ATOM 339 CD2 LEU A 24 -3.630 8.329 7.853 1.00 0.00 C ATOM 0 H LEU A 24 -3.067 4.616 8.613 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.956 6.781 9.086 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.155 5.147 6.699 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.450 6.328 6.665 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.494 6.763 6.974 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.884 8.441 5.221 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -3.434 6.821 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.620 8.047 5.237 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.897 9.101 7.619 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.634 8.750 7.790 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.455 7.958 8.863 1.00 0.00 H new ATOM 351 N SER A 25 -5.858 3.680 9.041 1.00 0.00 N ATOM 352 CA SER A 25 -6.970 2.775 9.281 1.00 0.00 C ATOM 353 C SER A 25 -7.142 2.545 10.784 1.00 0.00 C ATOM 354 O SER A 25 -8.209 2.131 11.234 1.00 0.00 O ATOM 355 CB SER A 25 -6.761 1.442 8.560 1.00 0.00 C ATOM 356 OG SER A 25 -7.927 0.625 8.600 1.00 0.00 O ATOM 0 H SER A 25 -4.942 3.232 9.012 1.00 0.00 H new ATOM 0 HA SER A 25 -7.876 3.233 8.884 1.00 0.00 H new ATOM 0 HB2 SER A 25 -6.486 1.630 7.522 1.00 0.00 H new ATOM 0 HB3 SER A 25 -5.929 0.908 9.019 1.00 0.00 H new ATOM 0 HG SER A 25 -7.754 -0.216 8.128 1.00 0.00 H new ATOM 362 N ASN A 26 -6.074 2.821 11.518 1.00 0.00 N ATOM 363 CA ASN A 26 -6.094 2.649 12.961 1.00 0.00 C ATOM 364 C ASN A 26 -6.840 3.822 13.600 1.00 0.00 C ATOM 365 O ASN A 26 -7.872 3.630 14.241 1.00 0.00 O ATOM 366 CB ASN A 26 -4.674 2.624 13.532 1.00 0.00 C ATOM 367 CG ASN A 26 -3.979 1.298 13.215 1.00 0.00 C ATOM 368 OD1 ASN A 26 -2.687 1.421 12.923 1.00 0.00 O flip ATOM 369 ND2 ASN A 26 -4.576 0.234 13.233 1.00 0.00 N flip ATOM 0 H ASN A 26 -5.190 3.162 11.141 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.588 1.703 13.181 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -4.097 3.450 13.117 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -4.710 2.771 14.611 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.569 0.210 13.466 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -4.082 -0.632 13.015 1.00 0.00 H new ATOM 376 N GLY A 27 -6.288 5.010 13.404 1.00 0.00 N ATOM 377 CA GLY A 27 -6.888 6.214 13.954 1.00 0.00 C ATOM 378 C GLY A 27 -6.128 6.688 15.194 1.00 0.00 C ATOM 379 O GLY A 27 -6.703 7.334 16.069 1.00 0.00 O ATOM 0 H GLY A 27 -5.432 5.165 12.872 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.888 7.001 13.200 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.929 6.020 14.213 1.00 0.00 H new ATOM 383 N GLU A 28 -4.848 6.350 15.230 1.00 0.00 N ATOM 384 CA GLU A 28 -4.003 6.733 16.349 1.00 0.00 C ATOM 385 C GLU A 28 -3.662 8.222 16.270 1.00 0.00 C ATOM 386 O GLU A 28 -3.227 8.816 17.256 1.00 0.00 O ATOM 387 CB GLU A 28 -2.733 5.881 16.394 1.00 0.00 C ATOM 388 CG GLU A 28 -2.969 4.510 15.756 1.00 0.00 C ATOM 389 CD GLU A 28 -2.028 3.460 16.349 1.00 0.00 C ATOM 390 OE1 GLU A 28 -0.823 3.775 16.458 1.00 0.00 O ATOM 391 OE2 GLU A 28 -2.534 2.366 16.680 1.00 0.00 O ATOM 0 H GLU A 28 -4.375 5.815 14.502 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.553 6.554 17.273 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.927 6.396 15.871 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.412 5.754 17.428 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.004 4.206 15.912 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.815 4.575 14.679 1.00 0.00 H new ATOM 398 N LEU A 29 -3.872 8.783 15.088 1.00 0.00 N ATOM 399 CA LEU A 29 -3.592 10.192 14.868 1.00 0.00 C ATOM 400 C LEU A 29 -4.827 10.865 14.267 1.00 0.00 C ATOM 401 O LEU A 29 -4.708 11.714 13.385 1.00 0.00 O ATOM 402 CB LEU A 29 -2.327 10.361 14.024 1.00 0.00 C ATOM 403 CG LEU A 29 -1.463 9.111 13.853 1.00 0.00 C ATOM 404 CD1 LEU A 29 -0.609 9.204 12.587 1.00 0.00 C ATOM 405 CD2 LEU A 29 -0.613 8.856 15.100 1.00 0.00 C ATOM 0 H LEU A 29 -4.233 8.287 14.273 1.00 0.00 H new ATOM 0 HA LEU A 29 -3.385 10.692 15.814 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.619 10.715 13.035 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -1.715 11.142 14.475 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.124 8.253 13.734 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.004 8.303 12.489 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.258 9.302 11.717 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.044 10.074 12.652 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.008 7.961 14.951 1.00 0.00 H new ATOM 0 HD22 LEU A 29 0.040 9.711 15.276 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.265 8.714 15.962 1.00 0.00 H new ATOM 417 N ASN A 30 -5.985 10.461 14.768 1.00 0.00 N ATOM 418 CA ASN A 30 -7.241 11.015 14.292 1.00 0.00 C ATOM 419 C ASN A 30 -7.586 12.261 15.108 1.00 0.00 C ATOM 420 O ASN A 30 -8.604 12.907 14.862 1.00 0.00 O ATOM 421 CB ASN A 30 -8.383 10.010 14.456 1.00 0.00 C ATOM 422 CG ASN A 30 -9.020 9.677 13.105 1.00 0.00 C ATOM 423 OD1 ASN A 30 -9.051 8.377 12.827 1.00 0.00 O flip ATOM 424 ND2 ASN A 30 -9.454 10.544 12.364 1.00 0.00 N flip ATOM 0 H ASN A 30 -6.080 9.756 15.499 1.00 0.00 H new ATOM 0 HA ASN A 30 -7.124 11.258 13.236 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.006 9.098 14.919 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.138 10.419 15.127 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -9.399 11.525 12.639 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.872 10.288 11.470 1.00 0.00 H new ATOM 431 N HIS A 31 -6.720 12.563 16.064 1.00 0.00 N ATOM 432 CA HIS A 31 -6.920 13.721 16.918 1.00 0.00 C ATOM 433 C HIS A 31 -6.499 14.988 16.172 1.00 0.00 C ATOM 434 O HIS A 31 -6.972 16.081 16.481 1.00 0.00 O ATOM 435 CB HIS A 31 -6.189 13.546 18.251 1.00 0.00 C ATOM 436 CG HIS A 31 -4.722 13.217 18.107 1.00 0.00 C ATOM 437 ND1 HIS A 31 -4.266 11.951 17.782 1.00 0.00 N ATOM 438 CD2 HIS A 31 -3.615 14.000 18.248 1.00 0.00 C ATOM 439 CE1 HIS A 31 -2.943 11.983 17.732 1.00 0.00 C ATOM 440 NE2 HIS A 31 -2.541 13.254 18.021 1.00 0.00 N ATOM 0 H HIS A 31 -5.877 12.025 16.266 1.00 0.00 H new ATOM 0 HA HIS A 31 -7.978 13.820 17.161 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -6.290 14.462 18.832 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -6.675 12.753 18.819 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -3.612 15.050 18.502 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -2.296 11.149 17.503 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -1.574 13.578 18.057 1.00 0.00 H new ATOM 448 N LEU A 32 -5.614 14.800 15.204 1.00 0.00 N ATOM 449 CA LEU A 32 -5.124 15.915 14.411 1.00 0.00 C ATOM 450 C LEU A 32 -5.673 15.803 12.988 1.00 0.00 C ATOM 451 O LEU A 32 -6.263 14.787 12.624 1.00 0.00 O ATOM 452 CB LEU A 32 -3.597 15.988 14.477 1.00 0.00 C ATOM 453 CG LEU A 32 -2.890 14.757 15.047 1.00 0.00 C ATOM 454 CD1 LEU A 32 -2.763 13.659 13.988 1.00 0.00 C ATOM 455 CD2 LEU A 32 -1.535 15.132 15.649 1.00 0.00 C ATOM 0 H LEU A 32 -5.224 13.892 14.951 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.484 16.860 14.818 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.218 16.166 13.471 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.320 16.853 15.080 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.501 14.356 15.856 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.257 12.795 14.419 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.756 13.365 13.647 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -2.186 14.034 13.143 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -1.054 14.239 16.047 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.903 15.571 14.877 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.681 15.854 16.453 1.00 0.00 H new ATOM 467 N PRO A 33 -5.454 16.890 12.200 1.00 0.00 N ATOM 468 CA PRO A 33 -5.921 16.924 10.825 1.00 0.00 C ATOM 469 C PRO A 33 -5.041 16.053 9.926 1.00 0.00 C ATOM 470 O PRO A 33 -3.855 15.871 10.200 1.00 0.00 O ATOM 471 CB PRO A 33 -5.895 18.393 10.437 1.00 0.00 C ATOM 472 CG PRO A 33 -4.981 19.074 11.442 1.00 0.00 C ATOM 473 CD PRO A 33 -4.760 18.111 12.598 1.00 0.00 C ATOM 0 HA PRO A 33 -6.924 16.513 10.711 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -5.523 18.522 9.421 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.896 18.822 10.466 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -4.031 19.337 10.977 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -5.429 20.002 11.798 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.698 17.927 12.763 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -5.163 18.510 13.529 1.00 0.00 H new ATOM 481 N LEU A 34 -5.655 15.537 8.871 1.00 0.00 N ATOM 482 CA LEU A 34 -4.943 14.689 7.931 1.00 0.00 C ATOM 483 C LEU A 34 -3.547 15.267 7.686 1.00 0.00 C ATOM 484 O LEU A 34 -2.544 14.583 7.886 1.00 0.00 O ATOM 485 CB LEU A 34 -5.762 14.500 6.653 1.00 0.00 C ATOM 486 CG LEU A 34 -5.273 13.410 5.697 1.00 0.00 C ATOM 487 CD1 LEU A 34 -3.745 13.400 5.613 1.00 0.00 C ATOM 488 CD2 LEU A 34 -5.833 12.042 6.092 1.00 0.00 C ATOM 0 H LEU A 34 -6.638 15.690 8.647 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.808 13.690 8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.790 14.274 6.935 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.780 15.447 6.114 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.650 13.637 4.700 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.423 12.616 4.927 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.394 14.366 5.250 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.327 13.210 6.602 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.470 11.286 5.396 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.507 11.793 7.102 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.922 12.072 6.060 1.00 0.00 H new ATOM 500 N LYS A 35 -3.527 16.520 7.257 1.00 0.00 N ATOM 501 CA LYS A 35 -2.271 17.198 6.983 1.00 0.00 C ATOM 502 C LYS A 35 -1.241 16.801 8.043 1.00 0.00 C ATOM 503 O LYS A 35 -0.077 16.564 7.724 1.00 0.00 O ATOM 504 CB LYS A 35 -2.490 18.708 6.874 1.00 0.00 C ATOM 505 CG LYS A 35 -1.157 19.445 6.726 1.00 0.00 C ATOM 506 CD LYS A 35 -0.770 19.587 5.252 1.00 0.00 C ATOM 507 CE LYS A 35 0.108 20.821 5.032 1.00 0.00 C ATOM 508 NZ LYS A 35 -0.378 21.602 3.873 1.00 0.00 N ATOM 0 H LYS A 35 -4.361 17.084 7.092 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.872 16.887 6.017 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.127 18.926 6.017 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.013 19.068 7.760 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.230 20.432 7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.376 18.903 7.260 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.237 18.694 4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.670 19.663 4.642 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.101 21.444 5.927 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.141 20.515 4.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.229 22.436 3.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -0.349 21.010 3.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.356 21.910 4.047 1.00 0.00 H new ATOM 522 N GLU A 36 -1.707 16.740 9.282 1.00 0.00 N ATOM 523 CA GLU A 36 -0.840 16.375 10.390 1.00 0.00 C ATOM 524 C GLU A 36 -0.599 14.865 10.400 1.00 0.00 C ATOM 525 O GLU A 36 0.542 14.416 10.502 1.00 0.00 O ATOM 526 CB GLU A 36 -1.427 16.846 11.722 1.00 0.00 C ATOM 527 CG GLU A 36 -1.020 18.290 12.021 1.00 0.00 C ATOM 528 CD GLU A 36 -0.611 18.453 13.486 1.00 0.00 C ATOM 529 OE1 GLU A 36 -1.528 18.444 14.335 1.00 0.00 O ATOM 530 OE2 GLU A 36 0.609 18.583 13.724 1.00 0.00 O ATOM 0 H GLU A 36 -2.673 16.937 9.543 1.00 0.00 H new ATOM 0 HA GLU A 36 0.119 16.875 10.256 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.514 16.770 11.692 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.084 16.194 12.525 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.192 18.579 11.374 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.850 18.960 11.795 1.00 0.00 H new ATOM 537 N ARG A 37 -1.691 14.122 10.293 1.00 0.00 N ATOM 538 CA ARG A 37 -1.612 12.671 10.289 1.00 0.00 C ATOM 539 C ARG A 37 -0.380 12.209 9.509 1.00 0.00 C ATOM 540 O ARG A 37 0.517 11.583 10.071 1.00 0.00 O ATOM 541 CB ARG A 37 -2.865 12.053 9.665 1.00 0.00 C ATOM 542 CG ARG A 37 -3.977 11.901 10.704 1.00 0.00 C ATOM 543 CD ARG A 37 -5.320 11.609 10.031 1.00 0.00 C ATOM 544 NE ARG A 37 -6.301 12.660 10.383 1.00 0.00 N ATOM 545 CZ ARG A 37 -7.616 12.572 10.140 1.00 0.00 C ATOM 546 NH1 ARG A 37 -8.115 11.481 9.544 1.00 0.00 N ATOM 547 NH2 ARG A 37 -8.431 13.575 10.494 1.00 0.00 N ATOM 0 H ARG A 37 -2.635 14.498 10.208 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.535 12.340 11.325 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -3.213 12.679 8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.622 11.078 9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.728 11.094 11.393 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -4.054 12.813 11.296 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.193 11.566 8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.690 10.634 10.347 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.955 13.504 10.839 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.494 10.718 9.275 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -9.116 11.414 9.359 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.050 14.405 10.948 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.432 13.508 10.309 1.00 0.00 H new ATOM 561 N MET A 38 -0.376 12.535 8.224 1.00 0.00 N ATOM 562 CA MET A 38 0.731 12.161 7.361 1.00 0.00 C ATOM 563 C MET A 38 2.074 12.487 8.019 1.00 0.00 C ATOM 564 O MET A 38 2.819 11.584 8.396 1.00 0.00 O ATOM 565 CB MET A 38 0.618 12.912 6.032 1.00 0.00 C ATOM 566 CG MET A 38 -0.607 12.447 5.243 1.00 0.00 C ATOM 567 SD MET A 38 -0.142 11.163 4.093 1.00 0.00 S ATOM 568 CE MET A 38 -0.514 9.719 5.074 1.00 0.00 C ATOM 0 H MET A 38 -1.122 13.054 7.760 1.00 0.00 H new ATOM 0 HA MET A 38 0.685 11.086 7.187 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.549 13.983 6.220 1.00 0.00 H new ATOM 0 HB3 MET A 38 1.519 12.750 5.441 1.00 0.00 H new ATOM 0 HG2 MET A 38 -1.370 12.075 5.927 1.00 0.00 H new ATOM 0 HG3 MET A 38 -1.044 13.288 4.705 1.00 0.00 H new ATOM 0 HE1 MET A 38 -0.885 8.925 4.426 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.390 9.381 5.582 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.274 9.968 5.814 1.00 0.00 H new ATOM 578 N VAL A 39 2.341 13.779 8.136 1.00 0.00 N ATOM 579 CA VAL A 39 3.581 14.235 8.742 1.00 0.00 C ATOM 580 C VAL A 39 3.822 13.465 10.042 1.00 0.00 C ATOM 581 O VAL A 39 4.918 12.958 10.273 1.00 0.00 O ATOM 582 CB VAL A 39 3.538 15.751 8.944 1.00 0.00 C ATOM 583 CG1 VAL A 39 2.269 16.169 9.689 1.00 0.00 C ATOM 584 CG2 VAL A 39 4.790 16.242 9.673 1.00 0.00 C ATOM 0 H VAL A 39 1.720 14.525 7.822 1.00 0.00 H new ATOM 0 HA VAL A 39 4.425 14.032 8.083 1.00 0.00 H new ATOM 0 HB VAL A 39 3.518 16.220 7.960 1.00 0.00 H new ATOM 0 HG11 VAL A 39 2.263 17.251 9.819 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.393 15.868 9.113 1.00 0.00 H new ATOM 0 HG13 VAL A 39 2.245 15.686 10.666 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.734 17.323 9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.855 15.761 10.649 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.674 15.993 9.086 1.00 0.00 H new ATOM 594 N GLU A 40 2.778 13.401 10.856 1.00 0.00 N ATOM 595 CA GLU A 40 2.862 12.701 12.126 1.00 0.00 C ATOM 596 C GLU A 40 3.347 11.266 11.911 1.00 0.00 C ATOM 597 O GLU A 40 4.193 10.774 12.657 1.00 0.00 O ATOM 598 CB GLU A 40 1.517 12.721 12.854 1.00 0.00 C ATOM 599 CG GLU A 40 1.709 12.941 14.356 1.00 0.00 C ATOM 600 CD GLU A 40 2.479 14.235 14.627 1.00 0.00 C ATOM 601 OE1 GLU A 40 1.873 15.309 14.423 1.00 0.00 O ATOM 602 OE2 GLU A 40 3.656 14.121 15.031 1.00 0.00 O ATOM 0 H GLU A 40 1.870 13.822 10.660 1.00 0.00 H new ATOM 0 HA GLU A 40 3.586 13.218 12.755 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.890 13.513 12.444 1.00 0.00 H new ATOM 0 HB3 GLU A 40 0.994 11.780 12.685 1.00 0.00 H new ATOM 0 HG2 GLU A 40 0.737 12.982 14.848 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.248 12.096 14.785 1.00 0.00 H new ATOM 609 N ILE A 41 2.791 10.634 10.888 1.00 0.00 N ATOM 610 CA ILE A 41 3.156 9.265 10.565 1.00 0.00 C ATOM 611 C ILE A 41 4.661 9.192 10.302 1.00 0.00 C ATOM 612 O ILE A 41 5.380 8.464 10.985 1.00 0.00 O ATOM 613 CB ILE A 41 2.303 8.742 9.408 1.00 0.00 C ATOM 614 CG1 ILE A 41 0.822 8.708 9.790 1.00 0.00 C ATOM 615 CG2 ILE A 41 2.804 7.377 8.931 1.00 0.00 C ATOM 616 CD1 ILE A 41 -0.065 8.959 8.569 1.00 0.00 C ATOM 0 H ILE A 41 2.090 11.045 10.272 1.00 0.00 H new ATOM 0 HA ILE A 41 2.947 8.606 11.408 1.00 0.00 H new ATOM 0 HB ILE A 41 2.403 9.432 8.570 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.578 7.740 10.228 1.00 0.00 H new ATOM 0 HG13 ILE A 41 0.622 9.462 10.551 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.180 7.028 8.108 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.836 7.466 8.592 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.753 6.663 9.753 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -1.113 8.930 8.868 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.165 9.938 8.147 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.120 8.189 7.820 1.00 0.00 H new ATOM 628 N GLY A 42 5.094 9.957 9.310 1.00 0.00 N ATOM 629 CA GLY A 42 6.501 9.988 8.948 1.00 0.00 C ATOM 630 C GLY A 42 7.389 9.897 10.191 1.00 0.00 C ATOM 631 O GLY A 42 8.477 9.325 10.140 1.00 0.00 O ATOM 0 H GLY A 42 4.495 10.560 8.746 1.00 0.00 H new ATOM 0 HA2 GLY A 42 6.725 9.160 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 42 6.721 10.908 8.406 1.00 0.00 H new ATOM 635 N SER A 43 6.892 10.468 11.278 1.00 0.00 N ATOM 636 CA SER A 43 7.626 10.458 12.531 1.00 0.00 C ATOM 637 C SER A 43 7.612 9.052 13.135 1.00 0.00 C ATOM 638 O SER A 43 8.663 8.501 13.458 1.00 0.00 O ATOM 639 CB SER A 43 7.040 11.467 13.521 1.00 0.00 C ATOM 640 OG SER A 43 8.047 12.290 14.104 1.00 0.00 O ATOM 0 H SER A 43 5.989 10.941 11.317 1.00 0.00 H new ATOM 0 HA SER A 43 8.656 10.748 12.326 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.310 12.095 13.010 1.00 0.00 H new ATOM 0 HB3 SER A 43 6.506 10.934 14.308 1.00 0.00 H new ATOM 0 HG SER A 43 7.632 12.921 14.728 1.00 0.00 H new ATOM 646 N ARG A 44 6.409 8.513 13.270 1.00 0.00 N ATOM 647 CA ARG A 44 6.244 7.182 13.829 1.00 0.00 C ATOM 648 C ARG A 44 6.975 6.150 12.968 1.00 0.00 C ATOM 649 O ARG A 44 7.453 5.138 13.478 1.00 0.00 O ATOM 650 CB ARG A 44 4.765 6.803 13.922 1.00 0.00 C ATOM 651 CG ARG A 44 4.014 7.749 14.861 1.00 0.00 C ATOM 652 CD ARG A 44 2.860 7.027 15.560 1.00 0.00 C ATOM 653 NE ARG A 44 3.354 6.344 16.776 1.00 0.00 N ATOM 654 CZ ARG A 44 2.558 5.816 17.717 1.00 0.00 C ATOM 655 NH1 ARG A 44 1.226 5.891 17.587 1.00 0.00 N ATOM 656 NH2 ARG A 44 3.094 5.215 18.788 1.00 0.00 N ATOM 0 H ARG A 44 5.539 8.974 13.002 1.00 0.00 H new ATOM 0 HA ARG A 44 6.669 7.189 14.833 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.314 6.836 12.930 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.671 5.778 14.281 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.702 8.149 15.606 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.628 8.597 14.296 1.00 0.00 H new ATOM 0 HD2 ARG A 44 2.080 7.741 15.825 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.410 6.301 14.882 1.00 0.00 H new ATOM 0 HE ARG A 44 4.363 6.270 16.907 1.00 0.00 H new ATOM 0 HH11 ARG A 44 0.818 6.350 16.772 1.00 0.00 H new ATOM 0 HH12 ARG A 44 0.620 5.489 18.303 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.108 5.159 18.887 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.488 4.813 19.504 1.00 0.00 H new ATOM 670 N TRP A 45 7.039 6.442 11.678 1.00 0.00 N ATOM 671 CA TRP A 45 7.704 5.552 10.741 1.00 0.00 C ATOM 672 C TRP A 45 9.208 5.613 11.017 1.00 0.00 C ATOM 673 O TRP A 45 9.913 4.619 10.852 1.00 0.00 O ATOM 674 CB TRP A 45 7.346 5.910 9.297 1.00 0.00 C ATOM 675 CG TRP A 45 8.238 5.238 8.250 1.00 0.00 C ATOM 676 CD1 TRP A 45 9.275 5.767 7.588 1.00 0.00 C ATOM 677 CD2 TRP A 45 8.127 3.882 7.770 1.00 0.00 C ATOM 678 NE1 TRP A 45 9.839 4.855 6.720 1.00 0.00 N ATOM 679 CE2 TRP A 45 9.119 3.672 6.834 1.00 0.00 C ATOM 680 CE3 TRP A 45 7.218 2.865 8.115 1.00 0.00 C ATOM 681 CZ2 TRP A 45 9.297 2.455 6.165 1.00 0.00 C ATOM 682 CZ3 TRP A 45 7.410 1.655 7.438 1.00 0.00 C ATOM 683 CH2 TRP A 45 8.404 1.428 6.493 1.00 0.00 C ATOM 0 H TRP A 45 6.641 7.283 11.259 1.00 0.00 H new ATOM 0 HA TRP A 45 7.366 4.525 10.878 1.00 0.00 H new ATOM 0 HB2 TRP A 45 6.309 5.630 9.110 1.00 0.00 H new ATOM 0 HB3 TRP A 45 7.411 6.991 9.175 1.00 0.00 H new ATOM 0 HD1 TRP A 45 9.626 6.780 7.717 1.00 0.00 H new ATOM 0 HE1 TRP A 45 10.638 5.019 6.107 1.00 0.00 H new ATOM 0 HE3 TRP A 45 6.434 3.007 8.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 10.081 2.316 5.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 6.739 0.840 7.666 1.00 0.00 H new ATOM 0 HH2 TRP A 45 8.487 0.464 6.014 1.00 0.00 H new ATOM 694 N GLN A 46 9.654 6.789 11.432 1.00 0.00 N ATOM 695 CA GLN A 46 11.061 6.992 11.732 1.00 0.00 C ATOM 696 C GLN A 46 11.370 6.535 13.159 1.00 0.00 C ATOM 697 O GLN A 46 12.518 6.594 13.599 1.00 0.00 O ATOM 698 CB GLN A 46 11.460 8.455 11.527 1.00 0.00 C ATOM 699 CG GLN A 46 12.003 8.682 10.114 1.00 0.00 C ATOM 700 CD GLN A 46 13.202 9.632 10.134 1.00 0.00 C ATOM 701 OE1 GLN A 46 13.905 9.765 11.122 1.00 0.00 O ATOM 702 NE2 GLN A 46 13.395 10.282 8.990 1.00 0.00 N ATOM 0 H GLN A 46 9.066 7.611 11.568 1.00 0.00 H new ATOM 0 HA GLN A 46 11.650 6.389 11.042 1.00 0.00 H new ATOM 0 HB2 GLN A 46 10.597 9.098 11.696 1.00 0.00 H new ATOM 0 HB3 GLN A 46 12.216 8.736 12.260 1.00 0.00 H new ATOM 0 HG2 GLN A 46 12.297 7.728 9.676 1.00 0.00 H new ATOM 0 HG3 GLN A 46 11.218 9.095 9.481 1.00 0.00 H new ATOM 0 HE21 GLN A 46 12.768 10.123 8.201 1.00 0.00 H new ATOM 0 HE22 GLN A 46 14.170 10.939 8.901 1.00 0.00 H new ATOM 711 N ARG A 47 10.327 6.090 13.844 1.00 0.00 N ATOM 712 CA ARG A 47 10.473 5.623 15.212 1.00 0.00 C ATOM 713 C ARG A 47 10.783 4.125 15.231 1.00 0.00 C ATOM 714 O ARG A 47 11.737 3.694 15.876 1.00 0.00 O ATOM 715 CB ARG A 47 9.201 5.884 16.021 1.00 0.00 C ATOM 716 CG ARG A 47 9.106 7.354 16.435 1.00 0.00 C ATOM 717 CD ARG A 47 7.835 7.614 17.247 1.00 0.00 C ATOM 718 NE ARG A 47 8.142 7.570 18.694 1.00 0.00 N ATOM 719 CZ ARG A 47 8.665 8.594 19.383 1.00 0.00 C ATOM 720 NH1 ARG A 47 8.943 9.748 18.761 1.00 0.00 N ATOM 721 NH2 ARG A 47 8.910 8.464 20.694 1.00 0.00 N ATOM 0 H ARG A 47 9.377 6.043 13.477 1.00 0.00 H new ATOM 0 HA ARG A 47 11.298 6.174 15.665 1.00 0.00 H new ATOM 0 HB2 ARG A 47 8.327 5.612 15.429 1.00 0.00 H new ATOM 0 HB3 ARG A 47 9.194 5.251 16.909 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.981 7.627 17.025 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.111 7.987 15.547 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.418 8.586 16.985 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.079 6.867 17.004 1.00 0.00 H new ATOM 0 HE ARG A 47 7.943 6.706 19.199 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.757 9.847 17.763 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.341 10.527 19.285 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.699 7.586 21.168 1.00 0.00 H new ATOM 0 HH22 ARG A 47 9.308 9.243 21.218 1.00 0.00 H new ATOM 735 N ILE A 48 9.959 3.373 14.516 1.00 0.00 N ATOM 736 CA ILE A 48 10.133 1.933 14.443 1.00 0.00 C ATOM 737 C ILE A 48 11.584 1.617 14.072 1.00 0.00 C ATOM 738 O ILE A 48 12.391 2.526 13.881 1.00 0.00 O ATOM 739 CB ILE A 48 9.107 1.316 13.491 1.00 0.00 C ATOM 740 CG1 ILE A 48 9.191 1.958 12.104 1.00 0.00 C ATOM 741 CG2 ILE A 48 7.696 1.400 14.077 1.00 0.00 C ATOM 742 CD1 ILE A 48 8.145 1.362 11.160 1.00 0.00 C ATOM 0 H ILE A 48 9.169 3.735 13.982 1.00 0.00 H new ATOM 0 HA ILE A 48 9.945 1.477 15.415 1.00 0.00 H new ATOM 0 HB ILE A 48 9.344 0.259 13.371 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.039 3.034 12.188 1.00 0.00 H new ATOM 0 HG13 ILE A 48 10.188 1.808 11.690 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.986 0.954 13.381 1.00 0.00 H new ATOM 0 HG22 ILE A 48 7.663 0.861 15.024 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.433 2.444 14.245 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.226 1.835 10.182 1.00 0.00 H new ATOM 0 HD12 ILE A 48 8.314 0.290 11.060 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.148 1.535 11.565 1.00 0.00 H new ATOM 754 N SER A 49 11.871 0.327 13.981 1.00 0.00 N ATOM 755 CA SER A 49 13.210 -0.120 13.637 1.00 0.00 C ATOM 756 C SER A 49 13.198 -0.799 12.266 1.00 0.00 C ATOM 757 O SER A 49 12.172 -0.818 11.588 1.00 0.00 O ATOM 758 CB SER A 49 13.762 -1.074 14.697 1.00 0.00 C ATOM 759 OG SER A 49 13.925 -0.432 15.960 1.00 0.00 O ATOM 0 H SER A 49 11.199 -0.423 14.140 1.00 0.00 H new ATOM 0 HA SER A 49 13.862 0.752 13.598 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.088 -1.924 14.806 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.722 -1.469 14.365 1.00 0.00 H new ATOM 0 HG SER A 49 14.278 -1.075 16.610 1.00 0.00 H new ATOM 765 N GLN A 50 14.350 -1.340 11.899 1.00 0.00 N ATOM 766 CA GLN A 50 14.486 -2.019 10.622 1.00 0.00 C ATOM 767 C GLN A 50 13.435 -3.124 10.494 1.00 0.00 C ATOM 768 O GLN A 50 12.728 -3.200 9.490 1.00 0.00 O ATOM 769 CB GLN A 50 15.897 -2.582 10.447 1.00 0.00 C ATOM 770 CG GLN A 50 16.065 -3.224 9.068 1.00 0.00 C ATOM 771 CD GLN A 50 15.808 -2.206 7.955 1.00 0.00 C ATOM 772 OE1 GLN A 50 14.539 -2.142 7.563 1.00 0.00 O flip ATOM 773 NE2 GLN A 50 16.704 -1.525 7.483 1.00 0.00 N flip ATOM 0 H GLN A 50 15.199 -1.322 12.464 1.00 0.00 H new ATOM 0 HA GLN A 50 14.320 -1.292 9.827 1.00 0.00 H new ATOM 0 HB2 GLN A 50 16.629 -1.784 10.572 1.00 0.00 H new ATOM 0 HB3 GLN A 50 16.096 -3.321 11.223 1.00 0.00 H new ATOM 0 HG2 GLN A 50 17.073 -3.628 8.971 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.375 -4.062 8.966 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.658 -1.625 7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 50 16.499 -0.856 6.741 1.00 0.00 H new ATOM 782 N SER A 51 13.365 -3.952 11.525 1.00 0.00 N ATOM 783 CA SER A 51 12.413 -5.049 11.541 1.00 0.00 C ATOM 784 C SER A 51 11.100 -4.612 10.889 1.00 0.00 C ATOM 785 O SER A 51 10.653 -5.217 9.916 1.00 0.00 O ATOM 786 CB SER A 51 12.159 -5.539 12.968 1.00 0.00 C ATOM 787 OG SER A 51 11.006 -6.372 13.050 1.00 0.00 O ATOM 0 H SER A 51 13.953 -3.885 12.356 1.00 0.00 H new ATOM 0 HA SER A 51 12.837 -5.877 10.972 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.030 -6.090 13.322 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.034 -4.681 13.629 1.00 0.00 H new ATOM 0 HG SER A 51 10.879 -6.665 13.977 1.00 0.00 H new ATOM 793 N GLN A 52 10.517 -3.563 11.452 1.00 0.00 N ATOM 794 CA GLN A 52 9.264 -3.037 10.938 1.00 0.00 C ATOM 795 C GLN A 52 9.384 -2.750 9.440 1.00 0.00 C ATOM 796 O GLN A 52 8.815 -3.467 8.619 1.00 0.00 O ATOM 797 CB GLN A 52 8.840 -1.783 11.704 1.00 0.00 C ATOM 798 CG GLN A 52 7.548 -2.029 12.486 1.00 0.00 C ATOM 799 CD GLN A 52 7.605 -3.363 13.233 1.00 0.00 C ATOM 800 OE1 GLN A 52 8.637 -3.782 13.730 1.00 0.00 O ATOM 801 NE2 GLN A 52 6.441 -4.005 13.283 1.00 0.00 N ATOM 0 H GLN A 52 10.890 -3.063 12.259 1.00 0.00 H new ATOM 0 HA GLN A 52 8.490 -3.790 11.083 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.633 -1.486 12.390 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.696 -0.958 11.007 1.00 0.00 H new ATOM 0 HG2 GLN A 52 7.388 -1.217 13.196 1.00 0.00 H new ATOM 0 HG3 GLN A 52 6.699 -2.027 11.802 1.00 0.00 H new ATOM 0 HE21 GLN A 52 5.615 -3.597 12.846 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.375 -4.905 13.759 1.00 0.00 H new ATOM 810 N LYS A 53 10.129 -1.699 9.129 1.00 0.00 N ATOM 811 CA LYS A 53 10.331 -1.308 7.744 1.00 0.00 C ATOM 812 C LYS A 53 10.514 -2.561 6.886 1.00 0.00 C ATOM 813 O LYS A 53 9.984 -2.643 5.779 1.00 0.00 O ATOM 814 CB LYS A 53 11.487 -0.312 7.632 1.00 0.00 C ATOM 815 CG LYS A 53 11.160 0.992 8.363 1.00 0.00 C ATOM 816 CD LYS A 53 12.227 2.055 8.092 1.00 0.00 C ATOM 817 CE LYS A 53 11.713 3.451 8.448 1.00 0.00 C ATOM 818 NZ LYS A 53 12.444 3.990 9.616 1.00 0.00 N ATOM 0 H LYS A 53 10.600 -1.106 9.813 1.00 0.00 H new ATOM 0 HA LYS A 53 9.453 -0.786 7.364 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.392 -0.751 8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.691 -0.103 6.582 1.00 0.00 H new ATOM 0 HG2 LYS A 53 10.186 1.359 8.041 1.00 0.00 H new ATOM 0 HG3 LYS A 53 11.092 0.805 9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 53 13.122 1.834 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 53 12.515 2.027 7.041 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.836 4.119 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.646 3.407 8.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.764 4.355 10.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 13.012 3.234 10.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 13.071 4.760 9.308 1.00 0.00 H new ATOM 832 N GLU A 54 11.265 -3.508 7.430 1.00 0.00 N ATOM 833 CA GLU A 54 11.525 -4.753 6.728 1.00 0.00 C ATOM 834 C GLU A 54 10.212 -5.489 6.451 1.00 0.00 C ATOM 835 O GLU A 54 9.915 -5.826 5.306 1.00 0.00 O ATOM 836 CB GLU A 54 12.493 -5.636 7.518 1.00 0.00 C ATOM 837 CG GLU A 54 13.940 -5.379 7.094 1.00 0.00 C ATOM 838 CD GLU A 54 14.325 -6.257 5.901 1.00 0.00 C ATOM 839 OE1 GLU A 54 14.019 -5.836 4.765 1.00 0.00 O ATOM 840 OE2 GLU A 54 14.917 -7.328 6.153 1.00 0.00 O ATOM 0 H GLU A 54 11.702 -3.438 8.349 1.00 0.00 H new ATOM 0 HA GLU A 54 11.996 -4.519 5.774 1.00 0.00 H new ATOM 0 HB2 GLU A 54 12.382 -5.439 8.584 1.00 0.00 H new ATOM 0 HB3 GLU A 54 12.245 -6.686 7.360 1.00 0.00 H new ATOM 0 HG2 GLU A 54 14.065 -4.328 6.832 1.00 0.00 H new ATOM 0 HG3 GLU A 54 14.609 -5.581 7.930 1.00 0.00 H new ATOM 847 N HIS A 55 9.462 -5.718 7.519 1.00 0.00 N ATOM 848 CA HIS A 55 8.189 -6.408 7.406 1.00 0.00 C ATOM 849 C HIS A 55 7.263 -5.627 6.471 1.00 0.00 C ATOM 850 O HIS A 55 6.923 -6.102 5.389 1.00 0.00 O ATOM 851 CB HIS A 55 7.574 -6.645 8.787 1.00 0.00 C ATOM 852 CG HIS A 55 6.444 -7.647 8.792 1.00 0.00 C ATOM 853 ND1 HIS A 55 6.579 -8.932 8.296 1.00 0.00 N ATOM 854 CD2 HIS A 55 5.160 -7.540 9.239 1.00 0.00 C ATOM 855 CE1 HIS A 55 5.422 -9.560 8.442 1.00 0.00 C ATOM 856 NE2 HIS A 55 4.543 -8.696 9.026 1.00 0.00 N ATOM 0 H HIS A 55 9.712 -5.438 8.467 1.00 0.00 H new ATOM 0 HA HIS A 55 8.344 -7.394 6.968 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.354 -6.989 9.467 1.00 0.00 H new ATOM 0 HB3 HIS A 55 7.206 -5.696 9.177 1.00 0.00 H new ATOM 0 HD2 HIS A 55 4.720 -6.663 9.690 1.00 0.00 H new ATOM 0 HE1 HIS A 55 5.211 -10.578 8.150 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.572 -8.904 9.260 1.00 0.00 H new ATOM 864 N TYR A 56 6.881 -4.441 6.924 1.00 0.00 N ATOM 865 CA TYR A 56 6.002 -3.589 6.142 1.00 0.00 C ATOM 866 C TYR A 56 6.421 -3.572 4.670 1.00 0.00 C ATOM 867 O TYR A 56 5.599 -3.326 3.789 1.00 0.00 O ATOM 868 CB TYR A 56 6.155 -2.181 6.720 1.00 0.00 C ATOM 869 CG TYR A 56 5.404 -1.964 8.035 1.00 0.00 C ATOM 870 CD1 TYR A 56 4.165 -2.541 8.226 1.00 0.00 C ATOM 871 CD2 TYR A 56 5.966 -1.191 9.031 1.00 0.00 C ATOM 872 CE1 TYR A 56 3.458 -2.336 9.464 1.00 0.00 C ATOM 873 CE2 TYR A 56 5.260 -0.986 10.269 1.00 0.00 C ATOM 874 CZ TYR A 56 4.041 -1.568 10.424 1.00 0.00 C ATOM 875 OH TYR A 56 3.373 -1.375 11.593 1.00 0.00 O ATOM 0 H TYR A 56 7.165 -4.051 7.823 1.00 0.00 H new ATOM 0 HA TYR A 56 4.975 -3.951 6.190 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.214 -1.978 6.880 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.799 -1.457 5.986 1.00 0.00 H new ATOM 0 HD1 TYR A 56 3.725 -3.146 7.447 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.936 -0.740 8.882 1.00 0.00 H new ATOM 0 HE1 TYR A 56 2.488 -2.782 9.627 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.689 -0.384 11.056 1.00 0.00 H new ATOM 0 HH TYR A 56 3.908 -0.807 12.186 1.00 0.00 H new ATOM 885 N LYS A 57 7.701 -3.836 4.450 1.00 0.00 N ATOM 886 CA LYS A 57 8.239 -3.854 3.100 1.00 0.00 C ATOM 887 C LYS A 57 8.085 -5.259 2.513 1.00 0.00 C ATOM 888 O LYS A 57 7.624 -5.416 1.383 1.00 0.00 O ATOM 889 CB LYS A 57 9.679 -3.338 3.091 1.00 0.00 C ATOM 890 CG LYS A 57 10.367 -3.655 1.762 1.00 0.00 C ATOM 891 CD LYS A 57 11.749 -3.001 1.689 1.00 0.00 C ATOM 892 CE LYS A 57 12.788 -3.833 2.443 1.00 0.00 C ATOM 893 NZ LYS A 57 14.106 -3.744 1.776 1.00 0.00 N ATOM 0 H LYS A 57 8.380 -4.039 5.183 1.00 0.00 H new ATOM 0 HA LYS A 57 7.678 -3.176 2.457 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.684 -2.261 3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.237 -3.791 3.910 1.00 0.00 H new ATOM 0 HG2 LYS A 57 10.465 -4.735 1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.750 -3.302 0.936 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.050 -2.894 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 57 11.704 -1.998 2.113 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.869 -3.479 3.471 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.466 -4.873 2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 14.800 -4.314 2.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.028 -4.103 0.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.418 -2.752 1.755 1.00 0.00 H new ATOM 907 N LYS A 58 8.480 -6.244 3.306 1.00 0.00 N ATOM 908 CA LYS A 58 8.392 -7.630 2.879 1.00 0.00 C ATOM 909 C LYS A 58 6.927 -7.986 2.618 1.00 0.00 C ATOM 910 O LYS A 58 6.631 -8.835 1.778 1.00 0.00 O ATOM 911 CB LYS A 58 9.077 -8.548 3.893 1.00 0.00 C ATOM 912 CG LYS A 58 8.110 -8.950 5.009 1.00 0.00 C ATOM 913 CD LYS A 58 7.155 -10.048 4.537 1.00 0.00 C ATOM 914 CE LYS A 58 6.837 -11.024 5.672 1.00 0.00 C ATOM 915 NZ LYS A 58 8.080 -11.637 6.191 1.00 0.00 N ATOM 0 H LYS A 58 8.862 -6.110 4.242 1.00 0.00 H new ATOM 0 HA LYS A 58 8.928 -7.775 1.941 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.447 -9.441 3.389 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.942 -8.042 4.321 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.673 -9.300 5.874 1.00 0.00 H new ATOM 0 HG3 LYS A 58 7.538 -8.080 5.331 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.232 -9.599 4.170 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.601 -10.589 3.702 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.320 -10.500 6.476 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.163 -11.802 5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.888 -12.616 6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.805 -11.636 5.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.422 -11.091 7.007 1.00 0.00 H new ATOM 929 N LEU A 59 6.049 -7.320 3.353 1.00 0.00 N ATOM 930 CA LEU A 59 4.622 -7.556 3.211 1.00 0.00 C ATOM 931 C LEU A 59 4.134 -6.933 1.901 1.00 0.00 C ATOM 932 O LEU A 59 3.381 -7.558 1.156 1.00 0.00 O ATOM 933 CB LEU A 59 3.871 -7.056 4.447 1.00 0.00 C ATOM 934 CG LEU A 59 4.068 -7.871 5.727 1.00 0.00 C ATOM 935 CD1 LEU A 59 3.221 -7.309 6.870 1.00 0.00 C ATOM 936 CD2 LEU A 59 3.788 -9.354 5.481 1.00 0.00 C ATOM 0 H LEU A 59 6.298 -6.617 4.049 1.00 0.00 H new ATOM 0 HA LEU A 59 4.417 -8.625 3.152 1.00 0.00 H new ATOM 0 HB2 LEU A 59 4.178 -6.029 4.643 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.806 -7.032 4.216 1.00 0.00 H new ATOM 0 HG LEU A 59 5.112 -7.787 6.029 1.00 0.00 H new ATOM 0 HD11 LEU A 59 3.379 -7.906 7.768 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.512 -6.277 7.065 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.167 -7.343 6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.935 -9.911 6.407 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.759 -9.479 5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 59 4.469 -9.731 4.718 1.00 0.00 H new ATOM 948 N ALA A 60 4.584 -5.710 1.661 1.00 0.00 N ATOM 949 CA ALA A 60 4.202 -4.996 0.454 1.00 0.00 C ATOM 950 C ALA A 60 4.422 -5.901 -0.759 1.00 0.00 C ATOM 951 O ALA A 60 3.634 -5.883 -1.703 1.00 0.00 O ATOM 952 CB ALA A 60 4.996 -3.692 0.360 1.00 0.00 C ATOM 0 H ALA A 60 5.209 -5.196 2.281 1.00 0.00 H new ATOM 0 HA ALA A 60 3.145 -4.733 0.482 1.00 0.00 H new ATOM 0 HB1 ALA A 60 4.710 -3.156 -0.545 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.783 -3.073 1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 60 6.062 -3.917 0.327 1.00 0.00 H new ATOM 958 N GLU A 61 5.499 -6.672 -0.696 1.00 0.00 N ATOM 959 CA GLU A 61 5.833 -7.582 -1.778 1.00 0.00 C ATOM 960 C GLU A 61 4.783 -8.690 -1.882 1.00 0.00 C ATOM 961 O GLU A 61 4.464 -9.147 -2.979 1.00 0.00 O ATOM 962 CB GLU A 61 7.232 -8.170 -1.588 1.00 0.00 C ATOM 963 CG GLU A 61 8.204 -7.112 -1.059 1.00 0.00 C ATOM 964 CD GLU A 61 7.896 -5.737 -1.655 1.00 0.00 C ATOM 965 OE1 GLU A 61 7.601 -5.699 -2.870 1.00 0.00 O ATOM 966 OE2 GLU A 61 7.963 -4.756 -0.884 1.00 0.00 O ATOM 0 H GLU A 61 6.151 -6.685 0.088 1.00 0.00 H new ATOM 0 HA GLU A 61 5.835 -7.020 -2.712 1.00 0.00 H new ATOM 0 HB2 GLU A 61 7.187 -9.008 -0.892 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.597 -8.563 -2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.138 -7.064 0.028 1.00 0.00 H new ATOM 0 HG3 GLU A 61 9.227 -7.398 -1.304 1.00 0.00 H new ATOM 973 N GLU A 62 4.273 -9.090 -0.726 1.00 0.00 N ATOM 974 CA GLU A 62 3.266 -10.136 -0.674 1.00 0.00 C ATOM 975 C GLU A 62 1.932 -9.615 -1.213 1.00 0.00 C ATOM 976 O GLU A 62 1.220 -10.330 -1.916 1.00 0.00 O ATOM 977 CB GLU A 62 3.109 -10.676 0.748 1.00 0.00 C ATOM 978 CG GLU A 62 1.928 -11.644 0.840 1.00 0.00 C ATOM 979 CD GLU A 62 2.326 -13.041 0.361 1.00 0.00 C ATOM 980 OE1 GLU A 62 2.244 -13.265 -0.866 1.00 0.00 O ATOM 981 OE2 GLU A 62 2.703 -13.855 1.232 1.00 0.00 O ATOM 0 H GLU A 62 4.539 -8.708 0.182 1.00 0.00 H new ATOM 0 HA GLU A 62 3.594 -10.961 -1.306 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.025 -11.184 1.051 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.960 -9.848 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.575 -11.696 1.870 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.100 -11.271 0.237 1.00 0.00 H new ATOM 988 N GLN A 63 1.633 -8.373 -0.862 1.00 0.00 N ATOM 989 CA GLN A 63 0.397 -7.748 -1.301 1.00 0.00 C ATOM 990 C GLN A 63 0.385 -7.609 -2.825 1.00 0.00 C ATOM 991 O GLN A 63 -0.612 -7.925 -3.473 1.00 0.00 O ATOM 992 CB GLN A 63 0.199 -6.390 -0.625 1.00 0.00 C ATOM 993 CG GLN A 63 -0.999 -6.420 0.326 1.00 0.00 C ATOM 994 CD GLN A 63 -2.317 -6.391 -0.451 1.00 0.00 C ATOM 995 OE1 GLN A 63 -2.555 -7.179 -1.351 1.00 0.00 O ATOM 996 NE2 GLN A 63 -3.158 -5.439 -0.054 1.00 0.00 N ATOM 0 H GLN A 63 2.226 -7.783 -0.278 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.435 -8.388 -1.007 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.099 -6.120 -0.073 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.047 -5.621 -1.383 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.956 -7.318 0.943 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.953 -5.566 1.002 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.896 -4.812 0.707 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -4.064 -5.337 -0.510 1.00 0.00 H new ATOM 1005 N GLN A 64 1.504 -7.135 -3.353 1.00 0.00 N ATOM 1006 CA GLN A 64 1.634 -6.950 -4.788 1.00 0.00 C ATOM 1007 C GLN A 64 1.761 -8.304 -5.488 1.00 0.00 C ATOM 1008 O GLN A 64 1.581 -8.399 -6.702 1.00 0.00 O ATOM 1009 CB GLN A 64 2.826 -6.049 -5.119 1.00 0.00 C ATOM 1010 CG GLN A 64 2.686 -4.684 -4.440 1.00 0.00 C ATOM 1011 CD GLN A 64 3.887 -3.790 -4.755 1.00 0.00 C ATOM 1012 OE1 GLN A 64 4.063 -3.309 -5.863 1.00 0.00 O ATOM 1013 NE2 GLN A 64 4.702 -3.595 -3.722 1.00 0.00 N ATOM 0 H GLN A 64 2.329 -6.874 -2.813 1.00 0.00 H new ATOM 0 HA GLN A 64 0.734 -6.456 -5.154 1.00 0.00 H new ATOM 0 HB2 GLN A 64 3.750 -6.528 -4.794 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.898 -5.917 -6.199 1.00 0.00 H new ATOM 0 HG2 GLN A 64 1.769 -4.199 -4.775 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.600 -4.817 -3.362 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.496 -4.027 -2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.533 -3.013 -3.831 1.00 0.00 H new ATOM 1022 N ARG A 65 2.068 -9.319 -4.694 1.00 0.00 N ATOM 1023 CA ARG A 65 2.221 -10.664 -5.223 1.00 0.00 C ATOM 1024 C ARG A 65 0.852 -11.326 -5.392 1.00 0.00 C ATOM 1025 O ARG A 65 0.624 -12.051 -6.359 1.00 0.00 O ATOM 1026 CB ARG A 65 3.085 -11.524 -4.298 1.00 0.00 C ATOM 1027 CG ARG A 65 2.674 -12.996 -4.377 1.00 0.00 C ATOM 1028 CD ARG A 65 3.750 -13.899 -3.771 1.00 0.00 C ATOM 1029 NE ARG A 65 3.136 -14.847 -2.815 1.00 0.00 N ATOM 1030 CZ ARG A 65 3.803 -15.835 -2.203 1.00 0.00 C ATOM 1031 NH1 ARG A 65 5.110 -16.010 -2.442 1.00 0.00 N ATOM 1032 NH2 ARG A 65 3.163 -16.648 -1.351 1.00 0.00 N ATOM 0 H ARG A 65 2.215 -9.237 -3.688 1.00 0.00 H new ATOM 0 HA ARG A 65 2.713 -10.586 -6.192 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.134 -11.420 -4.574 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.989 -11.170 -3.271 1.00 0.00 H new ATOM 0 HG2 ARG A 65 1.732 -13.143 -3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 65 2.504 -13.274 -5.417 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.263 -14.448 -4.561 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.501 -13.294 -3.264 1.00 0.00 H new ATOM 0 HE ARG A 65 2.143 -14.742 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 65 5.597 -15.391 -3.090 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.617 -16.762 -1.976 1.00 0.00 H new ATOM 0 HH21 ARG A 65 2.168 -16.515 -1.169 1.00 0.00 H new ATOM 0 HH22 ARG A 65 3.671 -17.400 -0.885 1.00 0.00 H new ATOM 1046 N GLN A 66 -0.025 -11.052 -4.436 1.00 0.00 N ATOM 1047 CA GLN A 66 -1.365 -11.612 -4.468 1.00 0.00 C ATOM 1048 C GLN A 66 -2.244 -10.832 -5.448 1.00 0.00 C ATOM 1049 O GLN A 66 -2.990 -11.424 -6.226 1.00 0.00 O ATOM 1050 CB GLN A 66 -1.985 -11.628 -3.069 1.00 0.00 C ATOM 1051 CG GLN A 66 -1.286 -12.651 -2.171 1.00 0.00 C ATOM 1052 CD GLN A 66 -1.795 -12.555 -0.731 1.00 0.00 C ATOM 1053 OE1 GLN A 66 -1.309 -11.519 -0.053 1.00 0.00 O flip ATOM 1054 NE2 GLN A 66 -2.578 -13.368 -0.267 1.00 0.00 N flip ATOM 0 H GLN A 66 0.167 -10.450 -3.635 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.298 -12.644 -4.813 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.910 -10.636 -2.623 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.046 -11.866 -3.140 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -1.459 -13.656 -2.555 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.209 -12.483 -2.192 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -2.912 -14.141 -0.843 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -2.898 -13.275 0.697 1.00 0.00 H new ATOM 1063 N TYR A 67 -2.126 -9.514 -5.378 1.00 0.00 N ATOM 1064 CA TYR A 67 -2.900 -8.646 -6.250 1.00 0.00 C ATOM 1065 C TYR A 67 -2.691 -9.018 -7.719 1.00 0.00 C ATOM 1066 O TYR A 67 -3.504 -8.667 -8.573 1.00 0.00 O ATOM 1067 CB TYR A 67 -2.371 -7.230 -6.014 1.00 0.00 C ATOM 1068 CG TYR A 67 -2.770 -6.228 -7.098 1.00 0.00 C ATOM 1069 CD1 TYR A 67 -2.228 -6.328 -8.363 1.00 0.00 C ATOM 1070 CD2 TYR A 67 -3.672 -5.224 -6.811 1.00 0.00 C ATOM 1071 CE1 TYR A 67 -2.604 -5.384 -9.384 1.00 0.00 C ATOM 1072 CE2 TYR A 67 -4.048 -4.280 -7.832 1.00 0.00 C ATOM 1073 CZ TYR A 67 -3.496 -4.407 -9.068 1.00 0.00 C ATOM 1074 OH TYR A 67 -3.851 -3.516 -10.032 1.00 0.00 O ATOM 0 H TYR A 67 -1.506 -9.026 -4.731 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.965 -8.735 -6.034 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.736 -6.873 -5.051 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -1.284 -7.266 -5.949 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.522 -7.114 -8.588 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.096 -5.146 -5.821 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.187 -5.450 -10.378 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -4.752 -3.489 -7.620 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.496 -2.876 -9.664 1.00 0.00 H new ATOM 1084 N LYS A 68 -1.597 -9.722 -7.968 1.00 0.00 N ATOM 1085 CA LYS A 68 -1.271 -10.145 -9.320 1.00 0.00 C ATOM 1086 C LYS A 68 -2.257 -11.226 -9.763 1.00 0.00 C ATOM 1087 O LYS A 68 -2.891 -11.102 -10.810 1.00 0.00 O ATOM 1088 CB LYS A 68 0.195 -10.576 -9.407 1.00 0.00 C ATOM 1089 CG LYS A 68 1.128 -9.366 -9.322 1.00 0.00 C ATOM 1090 CD LYS A 68 1.776 -9.077 -10.678 1.00 0.00 C ATOM 1091 CE LYS A 68 1.739 -7.580 -10.994 1.00 0.00 C ATOM 1092 NZ LYS A 68 1.314 -7.357 -12.394 1.00 0.00 N ATOM 0 H LYS A 68 -0.925 -10.010 -7.257 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.377 -9.313 -10.016 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.422 -11.272 -8.599 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.367 -11.107 -10.343 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.567 -8.493 -8.989 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.902 -9.551 -8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 68 2.809 -9.426 -10.674 1.00 0.00 H new ATOM 0 HD3 LYS A 68 1.255 -9.631 -11.459 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.052 -7.076 -10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.725 -7.144 -10.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.294 -6.336 -12.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 1.985 -7.822 -13.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 0.364 -7.756 -12.536 1.00 0.00 H new ATOM 1106 N VAL A 69 -2.357 -12.263 -8.945 1.00 0.00 N ATOM 1107 CA VAL A 69 -3.255 -13.366 -9.240 1.00 0.00 C ATOM 1108 C VAL A 69 -4.703 -12.880 -9.139 1.00 0.00 C ATOM 1109 O VAL A 69 -5.540 -13.237 -9.965 1.00 0.00 O ATOM 1110 CB VAL A 69 -2.956 -14.548 -8.314 1.00 0.00 C ATOM 1111 CG1 VAL A 69 -1.455 -14.658 -8.035 1.00 0.00 C ATOM 1112 CG2 VAL A 69 -3.750 -14.439 -7.011 1.00 0.00 C ATOM 0 H VAL A 69 -1.830 -12.363 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.101 -13.721 -10.259 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.271 -15.460 -8.821 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.269 -15.505 -7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.920 -14.805 -8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.106 -13.742 -7.558 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.519 -15.291 -6.372 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.481 -13.516 -6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -4.817 -14.432 -7.235 1.00 0.00 H new ATOM 1122 N HIS A 70 -4.952 -12.073 -8.118 1.00 0.00 N ATOM 1123 CA HIS A 70 -6.284 -11.534 -7.898 1.00 0.00 C ATOM 1124 C HIS A 70 -6.830 -10.964 -9.209 1.00 0.00 C ATOM 1125 O HIS A 70 -7.982 -11.209 -9.564 1.00 0.00 O ATOM 1126 CB HIS A 70 -6.274 -10.508 -6.764 1.00 0.00 C ATOM 1127 CG HIS A 70 -5.971 -11.095 -5.406 1.00 0.00 C ATOM 1128 ND1 HIS A 70 -5.510 -12.329 -5.052 1.00 0.00 N flip ATOM 1129 CD2 HIS A 70 -6.140 -10.388 -4.229 1.00 0.00 C flip ATOM 1130 CE1 HIS A 70 -5.401 -12.372 -3.730 1.00 0.00 C flip ATOM 1131 NE2 HIS A 70 -5.792 -11.170 -3.217 1.00 0.00 N flip ATOM 0 H HIS A 70 -4.255 -11.779 -7.434 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.956 -12.332 -7.582 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.534 -9.740 -6.990 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.245 -10.014 -6.726 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -6.495 -9.371 -4.148 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.059 -13.220 -3.155 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -5.813 -10.918 -2.229 1.00 0.00 H new ATOM 1139 N LEU A 71 -5.976 -10.216 -9.892 1.00 0.00 N ATOM 1140 CA LEU A 71 -6.359 -9.609 -11.156 1.00 0.00 C ATOM 1141 C LEU A 71 -6.838 -10.700 -12.116 1.00 0.00 C ATOM 1142 O LEU A 71 -7.808 -10.506 -12.847 1.00 0.00 O ATOM 1143 CB LEU A 71 -5.213 -8.761 -11.712 1.00 0.00 C ATOM 1144 CG LEU A 71 -5.621 -7.494 -12.465 1.00 0.00 C ATOM 1145 CD1 LEU A 71 -6.512 -6.603 -11.597 1.00 0.00 C ATOM 1146 CD2 LEU A 71 -4.392 -6.744 -12.983 1.00 0.00 C ATOM 0 H LEU A 71 -5.021 -10.016 -9.595 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.193 -8.922 -11.012 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.564 -8.475 -10.884 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.619 -9.383 -12.382 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.209 -7.788 -13.334 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.788 -5.709 -12.156 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.413 -7.150 -11.319 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.971 -6.315 -10.696 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.710 -5.847 -13.515 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.757 -6.462 -12.143 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.832 -7.388 -13.661 1.00 0.00 H new ATOM 1158 N ASP A 72 -6.136 -11.823 -12.083 1.00 0.00 N ATOM 1159 CA ASP A 72 -6.478 -12.945 -12.941 1.00 0.00 C ATOM 1160 C ASP A 72 -7.765 -13.597 -12.432 1.00 0.00 C ATOM 1161 O ASP A 72 -8.624 -13.983 -13.224 1.00 0.00 O ATOM 1162 CB ASP A 72 -5.374 -14.005 -12.928 1.00 0.00 C ATOM 1163 CG ASP A 72 -4.582 -14.129 -14.231 1.00 0.00 C ATOM 1164 OD1 ASP A 72 -5.080 -14.838 -15.132 1.00 0.00 O ATOM 1165 OD2 ASP A 72 -3.496 -13.514 -14.296 1.00 0.00 O ATOM 0 H ASP A 72 -5.332 -11.980 -11.476 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.604 -12.567 -13.956 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.680 -13.776 -12.119 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.822 -14.972 -12.699 1.00 0.00 H new ATOM 1170 N LEU A 73 -7.858 -13.698 -11.115 1.00 0.00 N ATOM 1171 CA LEU A 73 -9.027 -14.297 -10.491 1.00 0.00 C ATOM 1172 C LEU A 73 -10.274 -13.507 -10.893 1.00 0.00 C ATOM 1173 O LEU A 73 -11.337 -14.088 -11.111 1.00 0.00 O ATOM 1174 CB LEU A 73 -8.829 -14.406 -8.978 1.00 0.00 C ATOM 1175 CG LEU A 73 -7.541 -15.091 -8.518 1.00 0.00 C ATOM 1176 CD1 LEU A 73 -7.683 -15.625 -7.091 1.00 0.00 C ATOM 1177 CD2 LEU A 73 -7.121 -16.187 -9.500 1.00 0.00 C ATOM 0 H LEU A 73 -7.144 -13.376 -10.462 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.168 -15.318 -10.845 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -8.854 -13.402 -8.555 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -9.676 -14.950 -8.559 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.745 -14.347 -8.506 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -6.753 -16.107 -6.789 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.900 -14.799 -6.413 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.497 -16.349 -7.053 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.203 -16.658 -9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -7.910 -16.936 -9.568 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.951 -15.749 -10.483 1.00 0.00 H new ATOM 1189 N TRP A 74 -10.104 -12.196 -10.979 1.00 0.00 N ATOM 1190 CA TRP A 74 -11.203 -11.321 -11.351 1.00 0.00 C ATOM 1191 C TRP A 74 -11.557 -11.602 -12.812 1.00 0.00 C ATOM 1192 O TRP A 74 -12.715 -11.481 -13.209 1.00 0.00 O ATOM 1193 CB TRP A 74 -10.849 -9.856 -11.092 1.00 0.00 C ATOM 1194 CG TRP A 74 -11.708 -8.860 -11.874 1.00 0.00 C ATOM 1195 CD1 TRP A 74 -12.900 -8.353 -11.532 1.00 0.00 C ATOM 1196 CD2 TRP A 74 -11.391 -8.269 -13.152 1.00 0.00 C ATOM 1197 NE1 TRP A 74 -13.373 -7.481 -12.492 1.00 0.00 N ATOM 1198 CE2 TRP A 74 -12.426 -7.428 -13.508 1.00 0.00 C ATOM 1199 CE3 TRP A 74 -10.267 -8.438 -13.979 1.00 0.00 C ATOM 1200 CZ2 TRP A 74 -12.439 -6.691 -14.698 1.00 0.00 C ATOM 1201 CZ3 TRP A 74 -10.296 -7.695 -15.165 1.00 0.00 C ATOM 1202 CH2 TRP A 74 -11.330 -6.845 -15.538 1.00 0.00 C ATOM 0 H TRP A 74 -9.221 -11.718 -10.797 1.00 0.00 H new ATOM 0 HA TRP A 74 -12.081 -11.521 -10.736 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -10.952 -9.651 -10.026 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -9.802 -9.695 -11.347 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -13.425 -8.596 -10.620 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -14.255 -6.970 -12.461 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -9.446 -9.090 -13.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -13.261 -6.039 -14.954 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -9.456 -7.789 -15.837 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -11.278 -6.305 -16.472 1.00 0.00 H new ATOM 1213 N VAL A 75 -10.538 -11.971 -13.574 1.00 0.00 N ATOM 1214 CA VAL A 75 -10.727 -12.270 -14.984 1.00 0.00 C ATOM 1215 C VAL A 75 -11.456 -13.608 -15.124 1.00 0.00 C ATOM 1216 O VAL A 75 -12.396 -13.727 -15.908 1.00 0.00 O ATOM 1217 CB VAL A 75 -9.380 -12.244 -15.709 1.00 0.00 C ATOM 1218 CG1 VAL A 75 -9.505 -12.826 -17.119 1.00 0.00 C ATOM 1219 CG2 VAL A 75 -8.806 -10.826 -15.751 1.00 0.00 C ATOM 0 H VAL A 75 -9.579 -12.070 -13.242 1.00 0.00 H new ATOM 0 HA VAL A 75 -11.350 -11.510 -15.456 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.686 -12.870 -15.148 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -8.534 -12.796 -17.613 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -9.849 -13.859 -17.057 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -10.222 -12.239 -17.693 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -7.849 -10.836 -16.272 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -9.498 -10.169 -16.277 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.662 -10.462 -14.734 1.00 0.00 H new ATOM 1229 N LYS A 76 -10.994 -14.580 -14.352 1.00 0.00 N ATOM 1230 CA LYS A 76 -11.591 -15.905 -14.380 1.00 0.00 C ATOM 1231 C LYS A 76 -13.091 -15.790 -14.104 1.00 0.00 C ATOM 1232 O LYS A 76 -13.856 -16.699 -14.422 1.00 0.00 O ATOM 1233 CB LYS A 76 -10.859 -16.843 -13.418 1.00 0.00 C ATOM 1234 CG LYS A 76 -9.396 -17.019 -13.831 1.00 0.00 C ATOM 1235 CD LYS A 76 -8.610 -17.773 -12.757 1.00 0.00 C ATOM 1236 CE LYS A 76 -9.111 -19.212 -12.619 1.00 0.00 C ATOM 1237 NZ LYS A 76 -8.038 -20.171 -12.964 1.00 0.00 N ATOM 0 H LYS A 76 -10.214 -14.477 -13.703 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.482 -16.351 -15.369 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.909 -16.443 -12.405 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.355 -17.813 -13.402 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.344 -17.563 -14.774 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.942 -16.043 -14.001 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.550 -17.776 -13.012 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.707 -17.257 -11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.450 -19.389 -11.598 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.970 -19.368 -13.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -8.396 -21.143 -12.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.733 -20.013 -13.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -7.230 -20.033 -12.324 1.00 0.00 H new ATOM 1251 N SER A 77 -13.467 -14.665 -13.514 1.00 0.00 N ATOM 1252 CA SER A 77 -14.863 -14.419 -13.192 1.00 0.00 C ATOM 1253 C SER A 77 -15.518 -13.593 -14.300 1.00 0.00 C ATOM 1254 O SER A 77 -16.734 -13.641 -14.478 1.00 0.00 O ATOM 1255 CB SER A 77 -14.999 -13.705 -11.846 1.00 0.00 C ATOM 1256 OG SER A 77 -15.438 -14.586 -10.816 1.00 0.00 O ATOM 0 H SER A 77 -12.830 -13.914 -13.250 1.00 0.00 H new ATOM 0 HA SER A 77 -15.372 -15.380 -13.116 1.00 0.00 H new ATOM 0 HB2 SER A 77 -14.039 -13.271 -11.567 1.00 0.00 H new ATOM 0 HB3 SER A 77 -15.705 -12.880 -11.943 1.00 0.00 H new ATOM 0 HG SER A 77 -15.511 -14.093 -9.972 1.00 0.00 H new ATOM 1262 N LEU A 78 -14.684 -12.854 -15.016 1.00 0.00 N ATOM 1263 CA LEU A 78 -15.167 -12.018 -16.102 1.00 0.00 C ATOM 1264 C LEU A 78 -15.925 -12.886 -17.109 1.00 0.00 C ATOM 1265 O LEU A 78 -15.396 -13.883 -17.597 1.00 0.00 O ATOM 1266 CB LEU A 78 -14.015 -11.224 -16.721 1.00 0.00 C ATOM 1267 CG LEU A 78 -13.573 -9.976 -15.953 1.00 0.00 C ATOM 1268 CD1 LEU A 78 -12.596 -9.140 -16.782 1.00 0.00 C ATOM 1269 CD2 LEU A 78 -14.782 -9.157 -15.495 1.00 0.00 C ATOM 0 H LEU A 78 -13.676 -12.817 -14.865 1.00 0.00 H new ATOM 0 HA LEU A 78 -15.870 -11.275 -15.726 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.156 -11.887 -16.823 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.306 -10.923 -17.727 1.00 0.00 H new ATOM 0 HG LEU A 78 -13.043 -10.297 -15.056 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -12.298 -8.259 -16.213 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.714 -9.737 -17.016 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -13.079 -8.828 -17.708 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.440 -8.276 -14.952 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -15.361 -8.845 -16.364 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -15.407 -9.766 -14.842 1.00 0.00 H new ATOM 1281 N SER A 79 -17.153 -12.475 -17.390 1.00 0.00 N ATOM 1282 CA SER A 79 -17.989 -13.202 -18.329 1.00 0.00 C ATOM 1283 C SER A 79 -17.235 -13.419 -19.642 1.00 0.00 C ATOM 1284 O SER A 79 -16.091 -12.990 -19.783 1.00 0.00 O ATOM 1285 CB SER A 79 -19.302 -12.460 -18.587 1.00 0.00 C ATOM 1286 OG SER A 79 -19.310 -11.815 -19.858 1.00 0.00 O ATOM 0 H SER A 79 -17.589 -11.647 -16.983 1.00 0.00 H new ATOM 0 HA SER A 79 -18.231 -14.171 -17.892 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.133 -13.164 -18.532 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.460 -11.719 -17.803 1.00 0.00 H new ATOM 0 HG SER A 79 -19.605 -10.887 -19.752 1.00 0.00 H new ATOM 1292 N PRO A 80 -17.924 -14.101 -20.596 1.00 0.00 N ATOM 1293 CA PRO A 80 -17.332 -14.380 -21.893 1.00 0.00 C ATOM 1294 C PRO A 80 -17.303 -13.122 -22.764 1.00 0.00 C ATOM 1295 O PRO A 80 -16.570 -13.062 -23.749 1.00 0.00 O ATOM 1296 CB PRO A 80 -18.182 -15.492 -22.483 1.00 0.00 C ATOM 1297 CG PRO A 80 -19.488 -15.476 -21.706 1.00 0.00 C ATOM 1298 CD PRO A 80 -19.281 -14.624 -20.464 1.00 0.00 C ATOM 0 HA PRO A 80 -16.289 -14.690 -21.822 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -18.358 -15.327 -23.546 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -17.683 -16.457 -22.389 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -20.292 -15.068 -22.319 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -19.780 -16.489 -21.430 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -20.013 -13.818 -20.410 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -19.391 -15.215 -19.555 1.00 0.00 H new ATOM 1306 N GLN A 81 -18.111 -12.149 -22.369 1.00 0.00 N ATOM 1307 CA GLN A 81 -18.188 -10.897 -23.102 1.00 0.00 C ATOM 1308 C GLN A 81 -17.201 -9.882 -22.523 1.00 0.00 C ATOM 1309 O GLN A 81 -16.415 -9.286 -23.259 1.00 0.00 O ATOM 1310 CB GLN A 81 -19.614 -10.342 -23.091 1.00 0.00 C ATOM 1311 CG GLN A 81 -19.643 -8.894 -23.584 1.00 0.00 C ATOM 1312 CD GLN A 81 -20.991 -8.560 -24.226 1.00 0.00 C ATOM 1313 OE1 GLN A 81 -21.867 -7.966 -23.618 1.00 0.00 O ATOM 1314 NE2 GLN A 81 -21.108 -8.973 -25.485 1.00 0.00 N ATOM 0 H GLN A 81 -18.718 -12.202 -21.551 1.00 0.00 H new ATOM 0 HA GLN A 81 -17.916 -11.089 -24.140 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -20.253 -10.958 -23.724 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -20.021 -10.394 -22.081 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -19.456 -8.218 -22.749 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -18.843 -8.736 -24.307 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -20.336 -9.465 -25.934 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -21.970 -8.798 -26.001 1.00 0.00 H new ATOM 1323 N ASP A 82 -17.273 -9.716 -21.210 1.00 0.00 N ATOM 1324 CA ASP A 82 -16.394 -8.784 -20.525 1.00 0.00 C ATOM 1325 C ASP A 82 -14.939 -9.141 -20.831 1.00 0.00 C ATOM 1326 O ASP A 82 -14.181 -8.306 -21.322 1.00 0.00 O ATOM 1327 CB ASP A 82 -16.590 -8.856 -19.009 1.00 0.00 C ATOM 1328 CG ASP A 82 -17.830 -8.131 -18.482 1.00 0.00 C ATOM 1329 OD1 ASP A 82 -18.051 -6.985 -18.929 1.00 0.00 O ATOM 1330 OD2 ASP A 82 -18.529 -8.740 -17.643 1.00 0.00 O ATOM 0 H ASP A 82 -17.926 -10.211 -20.603 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.632 -7.779 -20.873 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -16.648 -9.904 -18.715 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.709 -8.437 -18.524 1.00 0.00 H new ATOM 1335 N ARG A 83 -14.592 -10.384 -20.529 1.00 0.00 N ATOM 1336 CA ARG A 83 -13.240 -10.862 -20.766 1.00 0.00 C ATOM 1337 C ARG A 83 -12.842 -10.628 -22.224 1.00 0.00 C ATOM 1338 O ARG A 83 -11.712 -10.235 -22.507 1.00 0.00 O ATOM 1339 CB ARG A 83 -13.120 -12.353 -20.445 1.00 0.00 C ATOM 1340 CG ARG A 83 -11.736 -12.682 -19.880 1.00 0.00 C ATOM 1341 CD ARG A 83 -11.781 -13.947 -19.021 1.00 0.00 C ATOM 1342 NE ARG A 83 -10.726 -14.891 -19.453 1.00 0.00 N ATOM 1343 CZ ARG A 83 -10.783 -15.618 -20.578 1.00 0.00 C ATOM 1344 NH1 ARG A 83 -11.844 -15.515 -21.389 1.00 0.00 N ATOM 1345 NH2 ARG A 83 -9.779 -16.448 -20.890 1.00 0.00 N ATOM 0 H ARG A 83 -15.223 -11.074 -20.122 1.00 0.00 H new ATOM 0 HA ARG A 83 -12.571 -10.305 -20.110 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.888 -12.637 -19.725 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.297 -12.938 -21.347 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -11.028 -12.818 -20.698 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.375 -11.845 -19.282 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -11.641 -13.689 -17.971 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -12.760 -14.419 -19.106 1.00 0.00 H new ATOM 0 HE ARG A 83 -9.904 -14.995 -18.858 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -12.609 -14.883 -21.151 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -11.887 -16.068 -22.245 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.972 -16.527 -20.272 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -9.822 -17.001 -21.746 1.00 0.00 H new ATOM 1359 N ALA A 84 -13.794 -10.878 -23.111 1.00 0.00 N ATOM 1360 CA ALA A 84 -13.557 -10.699 -24.534 1.00 0.00 C ATOM 1361 C ALA A 84 -13.007 -9.293 -24.782 1.00 0.00 C ATOM 1362 O ALA A 84 -12.284 -9.067 -25.751 1.00 0.00 O ATOM 1363 CB ALA A 84 -14.852 -10.964 -25.305 1.00 0.00 C ATOM 0 H ALA A 84 -14.731 -11.203 -22.872 1.00 0.00 H new ATOM 0 HA ALA A 84 -12.814 -11.411 -24.892 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -14.674 -10.830 -26.372 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -15.184 -11.985 -25.118 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -15.621 -10.266 -24.975 1.00 0.00 H new ATOM 1369 N ALA A 85 -13.372 -8.384 -23.890 1.00 0.00 N ATOM 1370 CA ALA A 85 -12.925 -7.006 -24.000 1.00 0.00 C ATOM 1371 C ALA A 85 -11.575 -6.855 -23.297 1.00 0.00 C ATOM 1372 O ALA A 85 -10.640 -6.283 -23.857 1.00 0.00 O ATOM 1373 CB ALA A 85 -13.992 -6.075 -23.420 1.00 0.00 C ATOM 0 H ALA A 85 -13.972 -8.575 -23.088 1.00 0.00 H new ATOM 0 HA ALA A 85 -12.785 -6.730 -25.045 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -13.657 -5.041 -23.503 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -14.923 -6.200 -23.973 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -14.157 -6.320 -22.371 1.00 0.00 H new ATOM 1379 N TYR A 86 -11.515 -7.377 -22.081 1.00 0.00 N ATOM 1380 CA TYR A 86 -10.294 -7.307 -21.296 1.00 0.00 C ATOM 1381 C TYR A 86 -9.107 -7.875 -22.076 1.00 0.00 C ATOM 1382 O TYR A 86 -8.126 -7.174 -22.318 1.00 0.00 O ATOM 1383 CB TYR A 86 -10.538 -8.174 -20.059 1.00 0.00 C ATOM 1384 CG TYR A 86 -9.272 -8.485 -19.257 1.00 0.00 C ATOM 1385 CD1 TYR A 86 -8.481 -9.560 -19.607 1.00 0.00 C ATOM 1386 CD2 TYR A 86 -8.922 -7.690 -18.185 1.00 0.00 C ATOM 1387 CE1 TYR A 86 -7.290 -9.853 -18.852 1.00 0.00 C ATOM 1388 CE2 TYR A 86 -7.731 -7.983 -17.431 1.00 0.00 C ATOM 1389 CZ TYR A 86 -6.974 -9.050 -17.802 1.00 0.00 C ATOM 1390 OH TYR A 86 -5.849 -9.326 -17.089 1.00 0.00 O ATOM 0 H TYR A 86 -12.292 -7.850 -21.620 1.00 0.00 H new ATOM 0 HA TYR A 86 -10.059 -6.273 -21.043 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -11.252 -7.669 -19.409 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -10.998 -9.112 -20.370 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.755 -10.181 -20.447 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.541 -6.848 -17.912 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -6.662 -10.692 -19.114 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -7.445 -7.369 -16.590 1.00 0.00 H new ATOM 0 HH TYR A 86 -5.749 -8.669 -16.369 1.00 0.00 H new ATOM 1400 N LYS A 87 -9.235 -9.140 -22.448 1.00 0.00 N ATOM 1401 CA LYS A 87 -8.186 -9.811 -23.196 1.00 0.00 C ATOM 1402 C LYS A 87 -7.899 -9.028 -24.479 1.00 0.00 C ATOM 1403 O LYS A 87 -6.745 -8.882 -24.877 1.00 0.00 O ATOM 1404 CB LYS A 87 -8.553 -11.276 -23.439 1.00 0.00 C ATOM 1405 CG LYS A 87 -7.616 -12.211 -22.671 1.00 0.00 C ATOM 1406 CD LYS A 87 -6.584 -12.843 -23.608 1.00 0.00 C ATOM 1407 CE LYS A 87 -6.797 -14.355 -23.717 1.00 0.00 C ATOM 1408 NZ LYS A 87 -7.571 -14.683 -24.934 1.00 0.00 N ATOM 0 H LYS A 87 -10.050 -9.718 -22.245 1.00 0.00 H new ATOM 0 HA LYS A 87 -7.261 -9.830 -22.620 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -9.583 -11.453 -23.129 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.499 -11.496 -24.505 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -7.106 -11.655 -21.884 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -8.197 -12.994 -22.183 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -6.659 -12.389 -24.596 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -5.579 -12.639 -23.239 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -5.833 -14.863 -23.744 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -7.324 -14.718 -22.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.706 -15.713 -24.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -8.498 -14.214 -24.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.053 -14.354 -25.774 1.00 0.00 H new ATOM 1422 N GLU A 88 -8.970 -8.544 -25.090 1.00 0.00 N ATOM 1423 CA GLU A 88 -8.849 -7.779 -26.319 1.00 0.00 C ATOM 1424 C GLU A 88 -7.845 -6.639 -26.138 1.00 0.00 C ATOM 1425 O GLU A 88 -7.143 -6.270 -27.078 1.00 0.00 O ATOM 1426 CB GLU A 88 -10.210 -7.245 -26.770 1.00 0.00 C ATOM 1427 CG GLU A 88 -10.057 -5.923 -27.526 1.00 0.00 C ATOM 1428 CD GLU A 88 -11.175 -5.749 -28.556 1.00 0.00 C ATOM 1429 OE1 GLU A 88 -12.329 -5.558 -28.115 1.00 0.00 O ATOM 1430 OE2 GLU A 88 -10.850 -5.811 -29.762 1.00 0.00 O ATOM 0 H GLU A 88 -9.926 -8.667 -24.757 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.479 -8.442 -27.101 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -10.699 -7.980 -27.410 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.853 -7.100 -25.902 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -10.075 -5.092 -26.821 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -9.089 -5.896 -28.026 1.00 0.00 H new ATOM 1437 N TYR A 89 -7.809 -6.112 -24.923 1.00 0.00 N ATOM 1438 CA TYR A 89 -6.902 -5.022 -24.606 1.00 0.00 C ATOM 1439 C TYR A 89 -5.539 -5.554 -24.158 1.00 0.00 C ATOM 1440 O TYR A 89 -4.520 -4.890 -24.338 1.00 0.00 O ATOM 1441 CB TYR A 89 -7.546 -4.261 -23.445 1.00 0.00 C ATOM 1442 CG TYR A 89 -6.549 -3.500 -22.570 1.00 0.00 C ATOM 1443 CD1 TYR A 89 -5.832 -4.168 -21.599 1.00 0.00 C ATOM 1444 CD2 TYR A 89 -6.366 -2.144 -22.753 1.00 0.00 C ATOM 1445 CE1 TYR A 89 -4.894 -3.451 -20.775 1.00 0.00 C ATOM 1446 CE2 TYR A 89 -5.427 -1.427 -21.930 1.00 0.00 C ATOM 1447 CZ TYR A 89 -4.737 -2.116 -20.981 1.00 0.00 C ATOM 1448 OH TYR A 89 -3.850 -1.439 -20.204 1.00 0.00 O ATOM 0 H TYR A 89 -8.394 -6.420 -24.146 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.740 -4.392 -25.480 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.274 -3.556 -23.846 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.096 -4.967 -22.822 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -5.974 -5.229 -21.457 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -6.927 -1.621 -23.513 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.328 -3.962 -20.010 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -5.274 -0.366 -22.063 1.00 0.00 H new ATOM 0 HH TYR A 89 -3.842 -0.494 -20.464 1.00 0.00 H new ATOM 1458 N ILE A 90 -5.566 -6.747 -23.582 1.00 0.00 N ATOM 1459 CA ILE A 90 -4.346 -7.376 -23.107 1.00 0.00 C ATOM 1460 C ILE A 90 -3.421 -7.648 -24.295 1.00 0.00 C ATOM 1461 O ILE A 90 -2.344 -7.062 -24.395 1.00 0.00 O ATOM 1462 CB ILE A 90 -4.671 -8.623 -22.282 1.00 0.00 C ATOM 1463 CG1 ILE A 90 -5.497 -8.262 -21.045 1.00 0.00 C ATOM 1464 CG2 ILE A 90 -3.397 -9.387 -21.918 1.00 0.00 C ATOM 1465 CD1 ILE A 90 -4.594 -7.806 -19.897 1.00 0.00 C ATOM 0 H ILE A 90 -6.414 -7.294 -23.434 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.811 -6.707 -22.433 1.00 0.00 H new ATOM 0 HB ILE A 90 -5.281 -9.288 -22.893 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -6.203 -7.470 -21.293 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.084 -9.125 -20.730 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.656 -10.269 -21.332 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.885 -9.695 -22.829 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.741 -8.743 -21.333 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.206 -7.555 -19.030 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -3.905 -8.609 -19.635 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.027 -6.928 -20.207 1.00 0.00 H new