USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 749 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 41 TYR OH : rot 87:sc= 0.41 USER MOD Set 1.2: A 63 ASN : amide:sc= -2.16 X(o=-1.7,f=-1.3!) USER MOD Set 2.1: A 20 THR OG1 : rot 160:sc= -3.09 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= -0.567 USER MOD Single : A 9 SER OG : rot 50:sc= -3.92! USER MOD Single : A 10 THR OG1 : rot 121:sc= 0.477 USER MOD Single : A 14 MET CE :methyl 168:sc= -0.002 (180deg=-0.181) USER MOD Single : A 15 HIS : no HD1:sc= -0.0381 X(o=-0.038,f=-0.44) USER MOD Single : A 16 GLN : amide:sc= -2.06! K(o=-2.1!,f=-1.4) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0941 USER MOD Single : A 21 MET CE :methyl 164:sc= -0.849 (180deg=-1.61!) USER MOD Single : A 25 THR OG1 : rot -170:sc= 0.0235 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : A 33 GLN : amide:sc= -0.0297 X(o=-0.03,f=-0.03) USER MOD Single : A 35 ASN : amide:sc= 0.0557 X(o=0.056,f=-0.28) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.115 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.973 X(o=-0.97,f=-0.49) USER MOD Single : A 51 ASN : amide:sc= -1.66 K(o=-1.7,f=-5!) USER MOD Single : A 54 ASN : amide:sc=-0.00724 X(o=-0.0072,f=-0.13) USER MOD Single : A 55 SER OG : rot 29:sc= -1.79! USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl -102:sc= -1.61 (180deg=-5.23!) USER MOD Single : A 60 SER OG : rot -129:sc= 1.42 USER MOD Single : A 61 GLN : amide:sc= -0.0361 K(o=-0.036,f=-1.4) USER MOD Single : A 62 THR OG1 : rot 170:sc= -1.13! USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl 155:sc= -0.435 (180deg=-1.38!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0.352 USER MOD Single : A 79 GLN : amide:sc= -1.31 X(o=-1.3,f=-1.2) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot -79:sc= 0.171 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 MET CE :methyl 150:sc= -0.205 (180deg=-1.58) USER MOD Single : A 96 CYS SG : rot 22:sc= 0.566 USER MOD Single : A 98 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.82) USER MOD Single : A 99 THR OG1 : rot -152:sc= 0.636 USER MOD Single : A 101 THR OG1 : rot 6:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -1.690 -18.037 -5.371 1.00 0.00 N ATOM 60 CA GLY A 7 -1.244 -16.659 -5.453 1.00 0.00 C ATOM 61 C GLY A 7 0.175 -16.477 -4.952 1.00 0.00 C ATOM 62 O GLY A 7 0.734 -17.344 -4.279 1.00 0.00 O ATOM 0 HA2 GLY A 7 -1.307 -16.321 -6.487 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.915 -16.028 -4.870 1.00 0.00 H new ATOM 66 N PRO A 8 0.781 -15.327 -5.282 1.00 0.00 N ATOM 67 CA PRO A 8 2.152 -15.008 -4.871 1.00 0.00 C ATOM 68 C PRO A 8 2.263 -14.751 -3.372 1.00 0.00 C ATOM 69 O PRO A 8 1.258 -14.543 -2.692 1.00 0.00 O ATOM 70 CB PRO A 8 2.470 -13.735 -5.658 1.00 0.00 C ATOM 71 CG PRO A 8 1.144 -13.110 -5.922 1.00 0.00 C ATOM 72 CD PRO A 8 0.174 -14.249 -6.081 1.00 0.00 C ATOM 0 HA PRO A 8 2.839 -15.831 -5.069 1.00 0.00 H new ATOM 0 HB2 PRO A 8 3.115 -13.068 -5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 8 2.991 -13.964 -6.587 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.849 -12.458 -5.100 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.175 -12.495 -6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.818 -13.986 -5.714 1.00 0.00 H new ATOM 0 HD3 PRO A 8 0.061 -14.538 -7.126 1.00 0.00 H new ATOM 80 N SER A 9 3.490 -14.765 -2.863 1.00 0.00 N ATOM 81 CA SER A 9 3.732 -14.536 -1.444 1.00 0.00 C ATOM 82 C SER A 9 3.331 -13.119 -1.046 1.00 0.00 C ATOM 83 O SER A 9 2.863 -12.337 -1.875 1.00 0.00 O ATOM 84 CB SER A 9 5.206 -14.774 -1.111 1.00 0.00 C ATOM 85 OG SER A 9 6.051 -14.160 -2.069 1.00 0.00 O ATOM 0 H SER A 9 4.333 -14.933 -3.413 1.00 0.00 H new ATOM 0 HA SER A 9 3.121 -15.240 -0.879 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.427 -14.378 -0.120 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.406 -15.845 -1.078 1.00 0.00 H new ATOM 0 HG SER A 9 5.777 -13.228 -2.197 1.00 0.00 H new ATOM 91 N THR A 10 3.519 -12.793 0.229 1.00 0.00 N ATOM 92 CA THR A 10 3.177 -11.471 0.739 1.00 0.00 C ATOM 93 C THR A 10 4.139 -11.040 1.840 1.00 0.00 C ATOM 94 O THR A 10 4.704 -11.876 2.546 1.00 0.00 O ATOM 95 CB THR A 10 1.738 -11.435 1.286 1.00 0.00 C ATOM 96 OG1 THR A 10 1.355 -10.085 1.571 1.00 0.00 O ATOM 97 CG2 THR A 10 1.617 -12.278 2.547 1.00 0.00 C ATOM 0 H THR A 10 3.907 -13.427 0.928 1.00 0.00 H new ATOM 0 HA THR A 10 3.256 -10.779 -0.099 1.00 0.00 H new ATOM 0 HB THR A 10 1.074 -11.848 0.526 1.00 0.00 H new ATOM 0 HG1 THR A 10 0.565 -9.850 1.040 1.00 0.00 H new ATOM 0 HG21 THR A 10 0.592 -12.237 2.915 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.880 -13.311 2.321 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.292 -11.890 3.310 1.00 0.00 H new ATOM 105 N VAL A 11 4.320 -9.731 1.983 1.00 0.00 N ATOM 106 CA VAL A 11 5.212 -9.190 3.001 1.00 0.00 C ATOM 107 C VAL A 11 4.669 -9.448 4.402 1.00 0.00 C ATOM 108 O VAL A 11 3.475 -9.308 4.668 1.00 0.00 O ATOM 109 CB VAL A 11 5.421 -7.675 2.815 1.00 0.00 C ATOM 110 CG1 VAL A 11 6.304 -7.118 3.922 1.00 0.00 C ATOM 111 CG2 VAL A 11 6.020 -7.384 1.447 1.00 0.00 C ATOM 0 H VAL A 11 3.861 -9.026 1.407 1.00 0.00 H new ATOM 0 HA VAL A 11 6.169 -9.699 2.886 1.00 0.00 H new ATOM 0 HB VAL A 11 4.451 -7.182 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 11 6.441 -6.047 3.774 1.00 0.00 H new ATOM 0 HG12 VAL A 11 5.831 -7.294 4.888 1.00 0.00 H new ATOM 0 HG13 VAL A 11 7.274 -7.614 3.898 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.161 -6.309 1.333 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.982 -7.888 1.357 1.00 0.00 H new ATOM 0 HG23 VAL A 11 5.346 -7.746 0.670 1.00 0.00 H new ATOM 121 N PRO A 12 5.566 -9.836 5.322 1.00 0.00 N ATOM 122 CA PRO A 12 5.200 -10.122 6.712 1.00 0.00 C ATOM 123 C PRO A 12 4.811 -8.863 7.480 1.00 0.00 C ATOM 124 O PRO A 12 3.808 -8.846 8.194 1.00 0.00 O ATOM 125 CB PRO A 12 6.478 -10.730 7.297 1.00 0.00 C ATOM 126 CG PRO A 12 7.578 -10.181 6.456 1.00 0.00 C ATOM 127 CD PRO A 12 7.005 -10.024 5.075 1.00 0.00 C ATOM 0 HA PRO A 12 4.330 -10.776 6.778 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.605 -10.454 8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.453 -11.819 7.255 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.926 -9.224 6.845 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.436 -10.853 6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.438 -9.170 4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.195 -10.903 4.459 1.00 0.00 H new ATOM 135 N ILE A 13 5.609 -7.812 7.327 1.00 0.00 N ATOM 136 CA ILE A 13 5.346 -6.548 8.005 1.00 0.00 C ATOM 137 C ILE A 13 5.752 -5.363 7.136 1.00 0.00 C ATOM 138 O ILE A 13 6.532 -5.509 6.196 1.00 0.00 O ATOM 139 CB ILE A 13 6.092 -6.465 9.350 1.00 0.00 C ATOM 140 CG1 ILE A 13 5.636 -5.234 10.135 1.00 0.00 C ATOM 141 CG2 ILE A 13 7.595 -6.426 9.119 1.00 0.00 C ATOM 142 CD1 ILE A 13 5.746 -5.399 11.635 1.00 0.00 C ATOM 0 H ILE A 13 6.443 -7.810 6.740 1.00 0.00 H new ATOM 0 HA ILE A 13 4.273 -6.507 8.191 1.00 0.00 H new ATOM 0 HB ILE A 13 5.857 -7.354 9.936 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.233 -4.375 9.827 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.601 -5.012 9.877 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.109 -6.367 10.078 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.906 -7.330 8.595 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.848 -5.553 8.518 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.406 -4.488 12.127 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.127 -6.237 11.955 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.785 -5.591 11.905 1.00 0.00 H new ATOM 154 N MET A 14 5.218 -4.189 7.459 1.00 0.00 N ATOM 155 CA MET A 14 5.528 -2.978 6.710 1.00 0.00 C ATOM 156 C MET A 14 6.314 -1.992 7.569 1.00 0.00 C ATOM 157 O MET A 14 6.206 -2.001 8.796 1.00 0.00 O ATOM 158 CB MET A 14 4.242 -2.321 6.206 1.00 0.00 C ATOM 159 CG MET A 14 3.662 -2.988 4.970 1.00 0.00 C ATOM 160 SD MET A 14 2.111 -2.237 4.438 1.00 0.00 S ATOM 161 CE MET A 14 2.713 -0.978 3.315 1.00 0.00 C ATOM 0 H MET A 14 4.569 -4.052 8.234 1.00 0.00 H new ATOM 0 HA MET A 14 6.144 -3.258 5.855 1.00 0.00 H new ATOM 0 HB2 MET A 14 3.498 -2.341 7.002 1.00 0.00 H new ATOM 0 HB3 MET A 14 4.443 -1.273 5.983 1.00 0.00 H new ATOM 0 HG2 MET A 14 4.386 -2.931 4.157 1.00 0.00 H new ATOM 0 HG3 MET A 14 3.497 -4.046 5.176 1.00 0.00 H new ATOM 0 HE1 MET A 14 1.879 -0.571 2.744 1.00 0.00 H new ATOM 0 HE2 MET A 14 3.187 -0.179 3.885 1.00 0.00 H new ATOM 0 HE3 MET A 14 3.440 -1.417 2.632 1.00 0.00 H new ATOM 171 N HIS A 15 7.104 -1.144 6.918 1.00 0.00 N ATOM 172 CA HIS A 15 7.907 -0.152 7.624 1.00 0.00 C ATOM 173 C HIS A 15 7.772 1.220 6.972 1.00 0.00 C ATOM 174 O HIS A 15 7.566 1.325 5.763 1.00 0.00 O ATOM 175 CB HIS A 15 9.376 -0.577 7.647 1.00 0.00 C ATOM 176 CG HIS A 15 9.620 -1.847 8.402 1.00 0.00 C ATOM 177 ND1 HIS A 15 10.010 -1.873 9.725 1.00 0.00 N ATOM 178 CD2 HIS A 15 9.527 -3.140 8.013 1.00 0.00 C ATOM 179 CE1 HIS A 15 10.147 -3.128 10.116 1.00 0.00 C ATOM 180 NE2 HIS A 15 9.860 -3.916 9.096 1.00 0.00 N ATOM 0 H HIS A 15 7.205 -1.124 5.903 1.00 0.00 H new ATOM 0 HA HIS A 15 7.540 -0.085 8.648 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.726 -0.700 6.622 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.970 0.221 8.093 1.00 0.00 H new ATOM 0 HD2 HIS A 15 9.244 -3.495 7.033 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.443 -3.454 11.102 1.00 0.00 H new ATOM 0 HE2 HIS A 15 9.882 -4.936 9.110 1.00 0.00 H new ATOM 189 N GLN A 16 7.889 2.269 7.780 1.00 0.00 N ATOM 190 CA GLN A 16 7.778 3.634 7.281 1.00 0.00 C ATOM 191 C GLN A 16 9.138 4.324 7.277 1.00 0.00 C ATOM 192 O GLN A 16 9.932 4.160 8.203 1.00 0.00 O ATOM 193 CB GLN A 16 6.790 4.433 8.133 1.00 0.00 C ATOM 194 CG GLN A 16 7.040 5.932 8.109 1.00 0.00 C ATOM 195 CD GLN A 16 5.773 6.738 8.318 1.00 0.00 C ATOM 196 OE1 GLN A 16 5.166 6.698 9.388 1.00 0.00 O ATOM 197 NE2 GLN A 16 5.366 7.477 7.292 1.00 0.00 N ATOM 0 H GLN A 16 8.061 2.199 8.783 1.00 0.00 H new ATOM 0 HA GLN A 16 7.410 3.590 6.256 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.777 4.236 7.781 1.00 0.00 H new ATOM 0 HB3 GLN A 16 6.843 4.081 9.163 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.762 6.189 8.885 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.488 6.207 7.154 1.00 0.00 H new ATOM 0 HE21 GLN A 16 5.900 7.481 6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 16 4.520 8.041 7.373 1.00 0.00 H new ATOM 206 N VAL A 17 9.401 5.097 6.228 1.00 0.00 N ATOM 207 CA VAL A 17 10.665 5.813 6.103 1.00 0.00 C ATOM 208 C VAL A 17 10.468 7.312 6.292 1.00 0.00 C ATOM 209 O VAL A 17 11.262 7.974 6.961 1.00 0.00 O ATOM 210 CB VAL A 17 11.320 5.561 4.732 1.00 0.00 C ATOM 211 CG1 VAL A 17 12.743 6.098 4.713 1.00 0.00 C ATOM 212 CG2 VAL A 17 11.296 4.077 4.395 1.00 0.00 C ATOM 0 H VAL A 17 8.755 5.243 5.452 1.00 0.00 H new ATOM 0 HA VAL A 17 11.322 5.434 6.886 1.00 0.00 H new ATOM 0 HB VAL A 17 10.747 6.092 3.972 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.190 5.911 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.730 7.171 4.906 1.00 0.00 H new ATOM 0 HG13 VAL A 17 13.331 5.598 5.483 1.00 0.00 H new ATOM 0 HG21 VAL A 17 11.763 3.917 3.423 1.00 0.00 H new ATOM 0 HG22 VAL A 17 11.844 3.522 5.156 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.264 3.728 4.364 1.00 0.00 H new ATOM 222 N SER A 18 9.404 7.844 5.698 1.00 0.00 N ATOM 223 CA SER A 18 9.104 9.267 5.798 1.00 0.00 C ATOM 224 C SER A 18 7.616 9.525 5.580 1.00 0.00 C ATOM 225 O SER A 18 6.831 8.592 5.411 1.00 0.00 O ATOM 226 CB SER A 18 9.925 10.056 4.776 1.00 0.00 C ATOM 227 OG SER A 18 9.843 11.449 5.022 1.00 0.00 O ATOM 0 H SER A 18 8.735 7.310 5.142 1.00 0.00 H new ATOM 0 HA SER A 18 9.370 9.600 6.801 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.966 9.737 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.565 9.839 3.770 1.00 0.00 H new ATOM 0 HG SER A 18 10.377 11.931 4.357 1.00 0.00 H new ATOM 233 N ALA A 19 7.236 10.798 5.584 1.00 0.00 N ATOM 234 CA ALA A 19 5.843 11.181 5.385 1.00 0.00 C ATOM 235 C ALA A 19 5.695 12.696 5.310 1.00 0.00 C ATOM 236 O ALA A 19 6.596 13.439 5.703 1.00 0.00 O ATOM 237 CB ALA A 19 4.977 10.618 6.502 1.00 0.00 C ATOM 0 H ALA A 19 7.873 11.582 5.723 1.00 0.00 H new ATOM 0 HA ALA A 19 5.509 10.763 4.435 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.940 10.911 6.341 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.050 9.530 6.506 1.00 0.00 H new ATOM 0 HB3 ALA A 19 5.320 11.008 7.460 1.00 0.00 H new ATOM 243 N THR A 20 4.554 13.151 4.802 1.00 0.00 N ATOM 244 CA THR A 20 4.289 14.578 4.674 1.00 0.00 C ATOM 245 C THR A 20 2.938 14.943 5.279 1.00 0.00 C ATOM 246 O THR A 20 2.259 14.097 5.860 1.00 0.00 O ATOM 247 CB THR A 20 4.315 15.024 3.200 1.00 0.00 C ATOM 248 OG1 THR A 20 3.111 14.615 2.542 1.00 0.00 O ATOM 249 CG2 THR A 20 5.518 14.435 2.478 1.00 0.00 C ATOM 0 H THR A 20 3.798 12.551 4.472 1.00 0.00 H new ATOM 0 HA THR A 20 5.079 15.096 5.217 1.00 0.00 H new ATOM 0 HB THR A 20 4.391 16.111 3.174 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.981 15.154 1.734 1.00 0.00 H new ATOM 0 HG21 THR A 20 5.515 14.764 1.439 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.434 14.772 2.963 1.00 0.00 H new ATOM 0 HG23 THR A 20 5.467 13.347 2.515 1.00 0.00 H new ATOM 257 N MET A 21 2.555 16.208 5.139 1.00 0.00 N ATOM 258 CA MET A 21 1.283 16.684 5.671 1.00 0.00 C ATOM 259 C MET A 21 0.119 16.200 4.812 1.00 0.00 C ATOM 260 O MET A 21 -0.985 15.983 5.312 1.00 0.00 O ATOM 261 CB MET A 21 1.277 18.212 5.745 1.00 0.00 C ATOM 262 CG MET A 21 1.996 18.764 6.965 1.00 0.00 C ATOM 263 SD MET A 21 1.684 20.522 7.219 1.00 0.00 S ATOM 264 CE MET A 21 -0.105 20.539 7.306 1.00 0.00 C ATOM 0 H MET A 21 3.107 16.921 4.662 1.00 0.00 H new ATOM 0 HA MET A 21 1.163 16.278 6.676 1.00 0.00 H new ATOM 0 HB2 MET A 21 1.744 18.613 4.846 1.00 0.00 H new ATOM 0 HB3 MET A 21 0.245 18.563 5.752 1.00 0.00 H new ATOM 0 HG2 MET A 21 1.679 18.211 7.849 1.00 0.00 H new ATOM 0 HG3 MET A 21 3.068 18.601 6.854 1.00 0.00 H new ATOM 0 HE1 MET A 21 -0.439 21.483 7.736 1.00 0.00 H new ATOM 0 HE2 MET A 21 -0.519 20.430 6.304 1.00 0.00 H new ATOM 0 HE3 MET A 21 -0.447 19.714 7.931 1.00 0.00 H new ATOM 274 N ARG A 22 0.373 16.034 3.518 1.00 0.00 N ATOM 275 CA ARG A 22 -0.654 15.577 2.590 1.00 0.00 C ATOM 276 C ARG A 22 -0.222 14.293 1.889 1.00 0.00 C ATOM 277 O ARG A 22 -0.769 13.927 0.849 1.00 0.00 O ATOM 278 CB ARG A 22 -0.954 16.662 1.554 1.00 0.00 C ATOM 279 CG ARG A 22 -1.508 17.943 2.155 1.00 0.00 C ATOM 280 CD ARG A 22 -1.205 19.147 1.278 1.00 0.00 C ATOM 281 NE ARG A 22 0.231 19.361 1.120 1.00 0.00 N ATOM 282 CZ ARG A 22 0.754 20.410 0.495 1.00 0.00 C ATOM 283 NH1 ARG A 22 -0.038 21.337 -0.028 1.00 0.00 N ATOM 284 NH2 ARG A 22 2.071 20.534 0.392 1.00 0.00 N ATOM 0 H ARG A 22 1.281 16.209 3.089 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.559 15.370 3.162 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.040 16.893 1.008 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -1.669 16.272 0.829 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -2.586 17.848 2.285 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -1.080 18.096 3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -1.660 19.005 0.298 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -1.658 20.037 1.715 1.00 0.00 H new ATOM 0 HE ARG A 22 0.868 18.667 1.511 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -1.051 21.245 0.049 1.00 0.00 H new ATOM 0 HH12 ARG A 22 0.366 22.142 -0.507 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.683 19.823 0.793 1.00 0.00 H new ATOM 0 HH22 ARG A 22 2.471 21.340 -0.088 1.00 0.00 H new ATOM 298 N SER A 23 0.765 13.614 2.465 1.00 0.00 N ATOM 299 CA SER A 23 1.275 12.373 1.892 1.00 0.00 C ATOM 300 C SER A 23 1.961 11.525 2.959 1.00 0.00 C ATOM 301 O SER A 23 2.153 11.968 4.091 1.00 0.00 O ATOM 302 CB SER A 23 2.254 12.675 0.757 1.00 0.00 C ATOM 303 OG SER A 23 1.883 13.854 0.063 1.00 0.00 O ATOM 0 H SER A 23 1.227 13.902 3.327 1.00 0.00 H new ATOM 0 HA SER A 23 0.430 11.811 1.493 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.260 12.788 1.161 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.282 11.835 0.063 1.00 0.00 H new ATOM 0 HG SER A 23 2.526 14.026 -0.657 1.00 0.00 H new ATOM 309 N ILE A 24 2.327 10.302 2.588 1.00 0.00 N ATOM 310 CA ILE A 24 2.992 9.392 3.511 1.00 0.00 C ATOM 311 C ILE A 24 3.902 8.421 2.766 1.00 0.00 C ATOM 312 O ILE A 24 3.492 7.791 1.791 1.00 0.00 O ATOM 313 CB ILE A 24 1.973 8.588 4.341 1.00 0.00 C ATOM 314 CG1 ILE A 24 0.982 9.532 5.026 1.00 0.00 C ATOM 315 CG2 ILE A 24 2.690 7.726 5.370 1.00 0.00 C ATOM 316 CD1 ILE A 24 -0.123 8.813 5.767 1.00 0.00 C ATOM 0 H ILE A 24 2.174 9.919 1.655 1.00 0.00 H new ATOM 0 HA ILE A 24 3.592 10.006 4.182 1.00 0.00 H new ATOM 0 HB ILE A 24 1.417 7.932 3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 24 1.523 10.169 5.726 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.539 10.187 4.276 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.957 7.164 5.948 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.359 7.032 4.861 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.269 8.363 6.039 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -0.788 9.544 6.228 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.689 8.198 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 24 0.310 8.179 6.540 1.00 0.00 H new ATOM 328 N THR A 25 5.142 8.304 3.233 1.00 0.00 N ATOM 329 CA THR A 25 6.111 7.411 2.612 1.00 0.00 C ATOM 330 C THR A 25 6.236 6.108 3.393 1.00 0.00 C ATOM 331 O THR A 25 6.430 6.117 4.609 1.00 0.00 O ATOM 332 CB THR A 25 7.499 8.071 2.510 1.00 0.00 C ATOM 333 OG1 THR A 25 7.358 9.464 2.210 1.00 0.00 O ATOM 334 CG2 THR A 25 8.340 7.398 1.435 1.00 0.00 C ATOM 0 H THR A 25 5.498 8.817 4.039 1.00 0.00 H new ATOM 0 HA THR A 25 5.745 7.196 1.608 1.00 0.00 H new ATOM 0 HB THR A 25 8.004 7.956 3.469 1.00 0.00 H new ATOM 0 HG1 THR A 25 8.235 9.842 1.992 1.00 0.00 H new ATOM 0 HG21 THR A 25 9.316 7.881 1.381 1.00 0.00 H new ATOM 0 HG22 THR A 25 8.470 6.344 1.681 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.838 7.486 0.472 1.00 0.00 H new ATOM 342 N LEU A 26 6.126 4.987 2.687 1.00 0.00 N ATOM 343 CA LEU A 26 6.228 3.675 3.315 1.00 0.00 C ATOM 344 C LEU A 26 7.188 2.775 2.543 1.00 0.00 C ATOM 345 O LEU A 26 7.727 3.169 1.509 1.00 0.00 O ATOM 346 CB LEU A 26 4.849 3.017 3.396 1.00 0.00 C ATOM 347 CG LEU A 26 3.684 3.943 3.749 1.00 0.00 C ATOM 348 CD1 LEU A 26 2.370 3.363 3.248 1.00 0.00 C ATOM 349 CD2 LEU A 26 3.626 4.179 5.251 1.00 0.00 C ATOM 0 H LEU A 26 5.966 4.961 1.680 1.00 0.00 H new ATOM 0 HA LEU A 26 6.618 3.812 4.323 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.636 2.547 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.892 2.220 4.138 1.00 0.00 H new ATOM 0 HG LEU A 26 3.846 4.902 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.553 4.036 3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.413 3.246 2.165 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.201 2.391 3.711 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.791 4.840 5.483 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.489 3.227 5.764 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.557 4.639 5.583 1.00 0.00 H new ATOM 361 N SER A 27 7.395 1.565 3.052 1.00 0.00 N ATOM 362 CA SER A 27 8.291 0.609 2.412 1.00 0.00 C ATOM 363 C SER A 27 8.094 -0.790 2.986 1.00 0.00 C ATOM 364 O SER A 27 7.636 -0.950 4.118 1.00 0.00 O ATOM 365 CB SER A 27 9.747 1.045 2.589 1.00 0.00 C ATOM 366 OG SER A 27 10.619 0.238 1.817 1.00 0.00 O ATOM 0 H SER A 27 6.954 1.223 3.906 1.00 0.00 H new ATOM 0 HA SER A 27 8.054 0.583 1.349 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.856 2.089 2.294 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.024 0.981 3.641 1.00 0.00 H new ATOM 0 HG SER A 27 11.543 0.538 1.946 1.00 0.00 H new ATOM 372 N TRP A 28 8.442 -1.801 2.197 1.00 0.00 N ATOM 373 CA TRP A 28 8.303 -3.188 2.627 1.00 0.00 C ATOM 374 C TRP A 28 9.380 -4.063 1.996 1.00 0.00 C ATOM 375 O TRP A 28 9.811 -3.840 0.864 1.00 0.00 O ATOM 376 CB TRP A 28 6.916 -3.720 2.260 1.00 0.00 C ATOM 377 CG TRP A 28 6.561 -3.510 0.819 1.00 0.00 C ATOM 378 CD1 TRP A 28 6.597 -4.443 -0.178 1.00 0.00 C ATOM 379 CD2 TRP A 28 6.119 -2.290 0.215 1.00 0.00 C ATOM 380 NE1 TRP A 28 6.203 -3.876 -1.366 1.00 0.00 N ATOM 381 CE2 TRP A 28 5.904 -2.556 -1.152 1.00 0.00 C ATOM 382 CE3 TRP A 28 5.882 -0.999 0.695 1.00 0.00 C ATOM 383 CZ2 TRP A 28 5.465 -1.578 -2.040 1.00 0.00 C ATOM 384 CZ3 TRP A 28 5.446 -0.030 -0.188 1.00 0.00 C ATOM 385 CH2 TRP A 28 5.241 -0.323 -1.543 1.00 0.00 C ATOM 0 H TRP A 28 8.822 -1.686 1.257 1.00 0.00 H new ATOM 0 HA TRP A 28 8.422 -3.221 3.710 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.872 -4.785 2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 28 6.170 -3.230 2.886 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.892 -5.474 -0.051 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.143 -4.359 -2.262 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.037 -0.763 1.737 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 5.307 -1.802 -3.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 5.260 0.971 0.172 1.00 0.00 H new ATOM 0 HH2 TRP A 28 4.900 0.457 -2.208 1.00 0.00 H new ATOM 396 N PRO A 29 9.827 -5.084 2.742 1.00 0.00 N ATOM 397 CA PRO A 29 10.859 -6.014 2.275 1.00 0.00 C ATOM 398 C PRO A 29 10.359 -6.922 1.157 1.00 0.00 C ATOM 399 O PRO A 29 9.177 -7.264 1.106 1.00 0.00 O ATOM 400 CB PRO A 29 11.188 -6.835 3.524 1.00 0.00 C ATOM 401 CG PRO A 29 9.957 -6.764 4.360 1.00 0.00 C ATOM 402 CD PRO A 29 9.358 -5.409 4.100 1.00 0.00 C ATOM 0 HA PRO A 29 11.718 -5.491 1.853 1.00 0.00 H new ATOM 0 HB2 PRO A 29 11.433 -7.866 3.267 1.00 0.00 H new ATOM 0 HB3 PRO A 29 12.049 -6.425 4.052 1.00 0.00 H new ATOM 0 HG2 PRO A 29 9.258 -7.557 4.094 1.00 0.00 H new ATOM 0 HG3 PRO A 29 10.195 -6.890 5.416 1.00 0.00 H new ATOM 0 HD2 PRO A 29 8.270 -5.434 4.154 1.00 0.00 H new ATOM 0 HD3 PRO A 29 9.697 -4.673 4.829 1.00 0.00 H new ATOM 410 N GLN A 30 11.264 -7.309 0.265 1.00 0.00 N ATOM 411 CA GLN A 30 10.913 -8.178 -0.852 1.00 0.00 C ATOM 412 C GLN A 30 10.720 -9.616 -0.383 1.00 0.00 C ATOM 413 O GLN A 30 11.513 -10.155 0.389 1.00 0.00 O ATOM 414 CB GLN A 30 11.997 -8.122 -1.930 1.00 0.00 C ATOM 415 CG GLN A 30 11.524 -8.598 -3.294 1.00 0.00 C ATOM 416 CD GLN A 30 12.610 -8.518 -4.349 1.00 0.00 C ATOM 417 OE1 GLN A 30 13.707 -8.021 -4.091 1.00 0.00 O ATOM 418 NE2 GLN A 30 12.310 -9.009 -5.546 1.00 0.00 N ATOM 0 H GLN A 30 12.246 -7.035 0.294 1.00 0.00 H new ATOM 0 HA GLN A 30 9.973 -7.823 -1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 30 12.358 -7.097 -2.017 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.843 -8.733 -1.615 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.175 -9.628 -3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 30 10.672 -7.996 -3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 30 11.388 -9.412 -5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 30 13.001 -8.983 -6.296 1.00 0.00 H new ATOM 427 N PRO A 31 9.640 -10.254 -0.859 1.00 0.00 N ATOM 428 CA PRO A 31 9.317 -11.639 -0.502 1.00 0.00 C ATOM 429 C PRO A 31 10.297 -12.637 -1.110 1.00 0.00 C ATOM 430 O PRO A 31 11.087 -12.290 -1.986 1.00 0.00 O ATOM 431 CB PRO A 31 7.917 -11.839 -1.087 1.00 0.00 C ATOM 432 CG PRO A 31 7.831 -10.860 -2.207 1.00 0.00 C ATOM 433 CD PRO A 31 8.652 -9.673 -1.783 1.00 0.00 C ATOM 0 HA PRO A 31 9.372 -11.807 0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.779 -12.860 -1.442 1.00 0.00 H new ATOM 0 HB3 PRO A 31 7.145 -11.654 -0.340 1.00 0.00 H new ATOM 0 HG2 PRO A 31 8.215 -11.290 -3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.797 -10.572 -2.395 1.00 0.00 H new ATOM 0 HD2 PRO A 31 9.133 -9.192 -2.635 1.00 0.00 H new ATOM 0 HD3 PRO A 31 8.040 -8.916 -1.293 1.00 0.00 H new ATOM 441 N GLU A 32 10.237 -13.879 -0.638 1.00 0.00 N ATOM 442 CA GLU A 32 11.120 -14.927 -1.136 1.00 0.00 C ATOM 443 C GLU A 32 10.336 -15.968 -1.930 1.00 0.00 C ATOM 444 O GLU A 32 10.909 -16.735 -2.703 1.00 0.00 O ATOM 445 CB GLU A 32 11.853 -15.602 0.026 1.00 0.00 C ATOM 446 CG GLU A 32 12.987 -14.766 0.597 1.00 0.00 C ATOM 447 CD GLU A 32 13.914 -15.572 1.486 1.00 0.00 C ATOM 448 OE1 GLU A 32 13.520 -15.877 2.632 1.00 0.00 O ATOM 449 OE2 GLU A 32 15.033 -15.897 1.038 1.00 0.00 O ATOM 0 H GLU A 32 9.587 -14.183 0.087 1.00 0.00 H new ATOM 0 HA GLU A 32 11.852 -14.465 -1.799 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.137 -15.819 0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.252 -16.558 -0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.561 -14.331 -0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.570 -13.937 1.169 1.00 0.00 H new ATOM 456 N GLN A 33 9.022 -15.988 -1.731 1.00 0.00 N ATOM 457 CA GLN A 33 8.158 -16.935 -2.427 1.00 0.00 C ATOM 458 C GLN A 33 7.118 -16.205 -3.270 1.00 0.00 C ATOM 459 O GLN A 33 5.915 -16.439 -3.155 1.00 0.00 O ATOM 460 CB GLN A 33 7.463 -17.856 -1.423 1.00 0.00 C ATOM 461 CG GLN A 33 8.391 -18.884 -0.797 1.00 0.00 C ATOM 462 CD GLN A 33 8.787 -19.980 -1.766 1.00 0.00 C ATOM 463 OE1 GLN A 33 9.866 -19.941 -2.358 1.00 0.00 O ATOM 464 NE2 GLN A 33 7.915 -20.967 -1.934 1.00 0.00 N ATOM 0 H GLN A 33 8.532 -15.360 -1.094 1.00 0.00 H new ATOM 0 HA GLN A 33 8.780 -17.536 -3.091 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.020 -17.250 -0.633 1.00 0.00 H new ATOM 0 HB3 GLN A 33 6.645 -18.374 -1.924 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.289 -18.384 -0.434 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.902 -19.330 0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.032 -20.960 -1.423 1.00 0.00 H new ATOM 0 HE22 GLN A 33 8.128 -21.732 -2.574 1.00 0.00 H new ATOM 473 N PRO A 34 7.590 -15.300 -4.140 1.00 0.00 N ATOM 474 CA PRO A 34 6.717 -14.517 -5.020 1.00 0.00 C ATOM 475 C PRO A 34 6.076 -15.371 -6.108 1.00 0.00 C ATOM 476 O PRO A 34 5.308 -14.873 -6.930 1.00 0.00 O ATOM 477 CB PRO A 34 7.667 -13.489 -5.639 1.00 0.00 C ATOM 478 CG PRO A 34 9.011 -14.129 -5.577 1.00 0.00 C ATOM 479 CD PRO A 34 9.013 -14.970 -4.331 1.00 0.00 C ATOM 0 HA PRO A 34 5.882 -14.074 -4.477 1.00 0.00 H new ATOM 0 HB2 PRO A 34 7.386 -13.258 -6.666 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.650 -12.550 -5.085 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.193 -14.741 -6.461 1.00 0.00 H new ATOM 0 HG3 PRO A 34 9.800 -13.377 -5.542 1.00 0.00 H new ATOM 0 HD2 PRO A 34 9.621 -15.867 -4.452 1.00 0.00 H new ATOM 0 HD3 PRO A 34 9.417 -14.424 -3.478 1.00 0.00 H new ATOM 487 N ASN A 35 6.395 -16.662 -6.107 1.00 0.00 N ATOM 488 CA ASN A 35 5.849 -17.585 -7.094 1.00 0.00 C ATOM 489 C ASN A 35 5.876 -16.969 -8.489 1.00 0.00 C ATOM 490 O ASN A 35 4.991 -17.217 -9.307 1.00 0.00 O ATOM 491 CB ASN A 35 4.416 -17.972 -6.724 1.00 0.00 C ATOM 492 CG ASN A 35 4.362 -18.939 -5.556 1.00 0.00 C ATOM 493 OD1 ASN A 35 3.811 -20.035 -5.668 1.00 0.00 O ATOM 494 ND2 ASN A 35 4.934 -18.537 -4.428 1.00 0.00 N ATOM 0 H ASN A 35 7.029 -17.092 -5.433 1.00 0.00 H new ATOM 0 HA ASN A 35 6.471 -18.480 -7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 35 3.853 -17.073 -6.474 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.929 -18.423 -7.589 1.00 0.00 H new ATOM 0 HD21 ASN A 35 4.929 -19.145 -3.609 1.00 0.00 H new ATOM 0 HD22 ASN A 35 5.379 -17.620 -4.380 1.00 0.00 H new ATOM 501 N GLY A 36 6.901 -16.163 -8.755 1.00 0.00 N ATOM 502 CA GLY A 36 7.025 -15.524 -10.051 1.00 0.00 C ATOM 503 C GLY A 36 7.505 -14.090 -9.947 1.00 0.00 C ATOM 504 O GLY A 36 7.225 -13.405 -8.963 1.00 0.00 O ATOM 0 H GLY A 36 7.647 -15.942 -8.095 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.721 -16.093 -10.668 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.060 -15.545 -10.557 1.00 0.00 H new ATOM 508 N ILE A 37 8.230 -13.635 -10.963 1.00 0.00 N ATOM 509 CA ILE A 37 8.750 -12.273 -10.981 1.00 0.00 C ATOM 510 C ILE A 37 7.642 -11.258 -10.725 1.00 0.00 C ATOM 511 O ILE A 37 6.792 -11.022 -11.584 1.00 0.00 O ATOM 512 CB ILE A 37 9.429 -11.947 -12.324 1.00 0.00 C ATOM 513 CG1 ILE A 37 10.601 -12.900 -12.573 1.00 0.00 C ATOM 514 CG2 ILE A 37 9.902 -10.501 -12.341 1.00 0.00 C ATOM 515 CD1 ILE A 37 10.940 -13.072 -14.037 1.00 0.00 C ATOM 0 H ILE A 37 8.471 -14.189 -11.785 1.00 0.00 H new ATOM 0 HA ILE A 37 9.490 -12.208 -10.184 1.00 0.00 H new ATOM 0 HB ILE A 37 8.701 -12.080 -13.124 1.00 0.00 H new ATOM 0 HG12 ILE A 37 11.480 -12.528 -12.046 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.363 -13.875 -12.147 1.00 0.00 H new ATOM 0 HG21 ILE A 37 10.380 -10.286 -13.297 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.048 -9.837 -12.204 1.00 0.00 H new ATOM 0 HG23 ILE A 37 10.617 -10.343 -11.534 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.779 -13.760 -14.138 1.00 0.00 H new ATOM 0 HD12 ILE A 37 10.076 -13.474 -14.566 1.00 0.00 H new ATOM 0 HD13 ILE A 37 11.210 -12.106 -14.464 1.00 0.00 H new ATOM 527 N ILE A 38 7.658 -10.659 -9.539 1.00 0.00 N ATOM 528 CA ILE A 38 6.655 -9.667 -9.171 1.00 0.00 C ATOM 529 C ILE A 38 6.742 -8.439 -10.071 1.00 0.00 C ATOM 530 O ILE A 38 7.598 -7.574 -9.880 1.00 0.00 O ATOM 531 CB ILE A 38 6.811 -9.226 -7.704 1.00 0.00 C ATOM 532 CG1 ILE A 38 6.725 -10.437 -6.773 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.749 -8.198 -7.344 1.00 0.00 C ATOM 534 CD1 ILE A 38 6.978 -10.102 -5.320 1.00 0.00 C ATOM 0 H ILE A 38 8.354 -10.843 -8.817 1.00 0.00 H new ATOM 0 HA ILE A 38 5.681 -10.140 -9.298 1.00 0.00 H new ATOM 0 HB ILE A 38 7.791 -8.765 -7.581 1.00 0.00 H new ATOM 0 HG12 ILE A 38 5.737 -10.888 -6.867 1.00 0.00 H new ATOM 0 HG13 ILE A 38 7.449 -11.185 -7.096 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.873 -7.896 -6.304 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.853 -7.326 -7.990 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.759 -8.634 -7.480 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.901 -11.008 -4.719 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.977 -9.679 -5.213 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.239 -9.377 -4.980 1.00 0.00 H new ATOM 546 N LEU A 39 5.849 -8.367 -11.052 1.00 0.00 N ATOM 547 CA LEU A 39 5.822 -7.243 -11.981 1.00 0.00 C ATOM 548 C LEU A 39 5.800 -5.916 -11.230 1.00 0.00 C ATOM 549 O LEU A 39 6.686 -5.079 -11.403 1.00 0.00 O ATOM 550 CB LEU A 39 4.602 -7.343 -12.899 1.00 0.00 C ATOM 551 CG LEU A 39 4.431 -8.666 -13.646 1.00 0.00 C ATOM 552 CD1 LEU A 39 2.970 -8.893 -14.002 1.00 0.00 C ATOM 553 CD2 LEU A 39 5.297 -8.688 -14.898 1.00 0.00 C ATOM 0 H LEU A 39 5.134 -9.074 -11.225 1.00 0.00 H new ATOM 0 HA LEU A 39 6.728 -7.282 -12.586 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.707 -7.168 -12.301 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.658 -6.539 -13.633 1.00 0.00 H new ATOM 0 HG LEU A 39 4.754 -9.475 -12.991 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.868 -9.839 -14.533 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.374 -8.922 -13.090 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.620 -8.080 -14.638 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.162 -9.637 -15.417 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.005 -7.870 -15.557 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.344 -8.573 -14.618 1.00 0.00 H new ATOM 565 N ASP A 40 4.783 -5.731 -10.396 1.00 0.00 N ATOM 566 CA ASP A 40 4.647 -4.507 -9.615 1.00 0.00 C ATOM 567 C ASP A 40 3.902 -4.774 -8.311 1.00 0.00 C ATOM 568 O ASP A 40 3.333 -5.849 -8.118 1.00 0.00 O ATOM 569 CB ASP A 40 3.913 -3.438 -10.427 1.00 0.00 C ATOM 570 CG ASP A 40 4.472 -3.291 -11.829 1.00 0.00 C ATOM 571 OD1 ASP A 40 4.151 -4.139 -12.686 1.00 0.00 O ATOM 572 OD2 ASP A 40 5.230 -2.327 -12.068 1.00 0.00 O ATOM 0 H ASP A 40 4.040 -6.413 -10.243 1.00 0.00 H new ATOM 0 HA ASP A 40 5.647 -4.146 -9.373 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.855 -3.693 -10.486 1.00 0.00 H new ATOM 0 HB3 ASP A 40 3.982 -2.481 -9.909 1.00 0.00 H new ATOM 577 N TYR A 41 3.909 -3.789 -7.419 1.00 0.00 N ATOM 578 CA TYR A 41 3.237 -3.919 -6.132 1.00 0.00 C ATOM 579 C TYR A 41 2.103 -2.905 -6.005 1.00 0.00 C ATOM 580 O TYR A 41 2.318 -1.700 -6.130 1.00 0.00 O ATOM 581 CB TYR A 41 4.236 -3.729 -4.990 1.00 0.00 C ATOM 582 CG TYR A 41 5.444 -4.634 -5.086 1.00 0.00 C ATOM 583 CD1 TYR A 41 6.392 -4.455 -6.085 1.00 0.00 C ATOM 584 CD2 TYR A 41 5.636 -5.667 -4.177 1.00 0.00 C ATOM 585 CE1 TYR A 41 7.497 -5.280 -6.177 1.00 0.00 C ATOM 586 CE2 TYR A 41 6.738 -6.496 -4.261 1.00 0.00 C ATOM 587 CZ TYR A 41 7.666 -6.298 -5.262 1.00 0.00 C ATOM 588 OH TYR A 41 8.765 -7.122 -5.350 1.00 0.00 O ATOM 0 H TYR A 41 4.373 -2.892 -7.564 1.00 0.00 H new ATOM 0 HA TYR A 41 2.813 -4.921 -6.072 1.00 0.00 H new ATOM 0 HB2 TYR A 41 4.570 -2.691 -4.979 1.00 0.00 H new ATOM 0 HB3 TYR A 41 3.730 -3.911 -4.042 1.00 0.00 H new ATOM 0 HD1 TYR A 41 6.264 -3.658 -6.802 1.00 0.00 H new ATOM 0 HD2 TYR A 41 4.912 -5.825 -3.392 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.224 -5.128 -6.961 1.00 0.00 H new ATOM 0 HE2 TYR A 41 6.872 -7.295 -3.547 1.00 0.00 H new ATOM 0 HH TYR A 41 9.516 -6.718 -4.868 1.00 0.00 H new ATOM 598 N GLU A 42 0.897 -3.405 -5.755 1.00 0.00 N ATOM 599 CA GLU A 42 -0.271 -2.543 -5.610 1.00 0.00 C ATOM 600 C GLU A 42 -0.425 -2.073 -4.167 1.00 0.00 C ATOM 601 O GLU A 42 -0.194 -2.834 -3.227 1.00 0.00 O ATOM 602 CB GLU A 42 -1.535 -3.281 -6.055 1.00 0.00 C ATOM 603 CG GLU A 42 -2.737 -2.371 -6.242 1.00 0.00 C ATOM 604 CD GLU A 42 -3.317 -1.893 -4.925 1.00 0.00 C ATOM 605 OE1 GLU A 42 -3.544 -2.738 -4.035 1.00 0.00 O ATOM 606 OE2 GLU A 42 -3.544 -0.673 -4.786 1.00 0.00 O ATOM 0 H GLU A 42 0.703 -4.401 -5.649 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.126 -1.669 -6.245 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.332 -3.798 -6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -1.779 -4.044 -5.316 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.445 -1.508 -6.841 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.507 -2.902 -6.802 1.00 0.00 H new ATOM 613 N ILE A 43 -0.815 -0.814 -3.999 1.00 0.00 N ATOM 614 CA ILE A 43 -1.000 -0.242 -2.672 1.00 0.00 C ATOM 615 C ILE A 43 -2.385 0.381 -2.529 1.00 0.00 C ATOM 616 O ILE A 43 -2.722 1.336 -3.229 1.00 0.00 O ATOM 617 CB ILE A 43 0.065 0.827 -2.366 1.00 0.00 C ATOM 618 CG1 ILE A 43 1.451 0.186 -2.272 1.00 0.00 C ATOM 619 CG2 ILE A 43 -0.275 1.559 -1.075 1.00 0.00 C ATOM 620 CD1 ILE A 43 2.172 0.110 -3.600 1.00 0.00 C ATOM 0 H ILE A 43 -1.009 -0.171 -4.766 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.897 -1.060 -1.959 1.00 0.00 H new ATOM 0 HB ILE A 43 0.075 1.552 -3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.059 0.756 -1.569 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.351 -0.820 -1.864 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.487 2.312 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.246 2.044 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.310 0.846 -0.251 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.147 -0.355 -3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.584 -0.485 -4.299 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.304 1.115 -4.000 1.00 0.00 H new ATOM 632 N ARG A 44 -3.183 -0.166 -1.618 1.00 0.00 N ATOM 633 CA ARG A 44 -4.531 0.336 -1.383 1.00 0.00 C ATOM 634 C ARG A 44 -4.614 1.070 -0.048 1.00 0.00 C ATOM 635 O ARG A 44 -4.188 0.551 0.985 1.00 0.00 O ATOM 636 CB ARG A 44 -5.539 -0.815 -1.407 1.00 0.00 C ATOM 637 CG ARG A 44 -6.988 -0.358 -1.374 1.00 0.00 C ATOM 638 CD ARG A 44 -7.942 -1.509 -1.650 1.00 0.00 C ATOM 639 NE ARG A 44 -7.748 -2.616 -0.718 1.00 0.00 N ATOM 640 CZ ARG A 44 -8.354 -3.793 -0.838 1.00 0.00 C ATOM 641 NH1 ARG A 44 -9.187 -4.013 -1.846 1.00 0.00 N ATOM 642 NH2 ARG A 44 -8.126 -4.751 0.050 1.00 0.00 N ATOM 0 H ARG A 44 -2.919 -0.957 -1.031 1.00 0.00 H new ATOM 0 HA ARG A 44 -4.773 1.039 -2.180 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.375 -1.411 -2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.353 -1.467 -0.553 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.212 0.075 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.140 0.427 -2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -8.970 -1.153 -1.581 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.796 -1.864 -2.670 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.113 -2.479 0.068 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.364 -3.278 -2.531 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.651 -4.917 -1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -7.485 -4.585 0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -8.591 -5.654 -0.043 1.00 0.00 H new ATOM 656 N TYR A 45 -5.162 2.279 -0.076 1.00 0.00 N ATOM 657 CA TYR A 45 -5.297 3.085 1.131 1.00 0.00 C ATOM 658 C TYR A 45 -6.653 3.785 1.170 1.00 0.00 C ATOM 659 O TYR A 45 -7.093 4.365 0.177 1.00 0.00 O ATOM 660 CB TYR A 45 -4.174 4.120 1.207 1.00 0.00 C ATOM 661 CG TYR A 45 -4.149 5.073 0.033 1.00 0.00 C ATOM 662 CD1 TYR A 45 -3.631 4.680 -1.195 1.00 0.00 C ATOM 663 CD2 TYR A 45 -4.641 6.367 0.152 1.00 0.00 C ATOM 664 CE1 TYR A 45 -3.605 5.548 -2.270 1.00 0.00 C ATOM 665 CE2 TYR A 45 -4.621 7.241 -0.918 1.00 0.00 C ATOM 666 CZ TYR A 45 -4.102 6.826 -2.127 1.00 0.00 C ATOM 667 OH TYR A 45 -4.078 7.694 -3.194 1.00 0.00 O ATOM 0 H TYR A 45 -5.520 2.723 -0.922 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.227 2.419 1.991 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -4.281 4.694 2.128 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -3.217 3.602 1.264 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -3.242 3.679 -1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -5.046 6.695 1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -3.197 5.227 -3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -5.009 8.243 -0.809 1.00 0.00 H new ATOM 0 HH TYR A 45 -4.467 8.553 -2.926 1.00 0.00 H new ATOM 677 N TYR A 46 -7.308 3.727 2.324 1.00 0.00 N ATOM 678 CA TYR A 46 -8.614 4.354 2.493 1.00 0.00 C ATOM 679 C TYR A 46 -8.713 5.047 3.848 1.00 0.00 C ATOM 680 O TYR A 46 -7.855 4.872 4.712 1.00 0.00 O ATOM 681 CB TYR A 46 -9.724 3.310 2.359 1.00 0.00 C ATOM 682 CG TYR A 46 -9.571 2.138 3.302 1.00 0.00 C ATOM 683 CD1 TYR A 46 -9.649 2.313 4.678 1.00 0.00 C ATOM 684 CD2 TYR A 46 -9.348 0.855 2.816 1.00 0.00 C ATOM 685 CE1 TYR A 46 -9.509 1.244 5.542 1.00 0.00 C ATOM 686 CE2 TYR A 46 -9.208 -0.219 3.673 1.00 0.00 C ATOM 687 CZ TYR A 46 -9.289 -0.019 5.035 1.00 0.00 C ATOM 688 OH TYR A 46 -9.150 -1.086 5.893 1.00 0.00 O ATOM 0 H TYR A 46 -6.957 3.253 3.156 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.734 5.105 1.712 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -10.686 3.789 2.542 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -9.742 2.941 1.334 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.822 3.301 5.079 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.283 0.695 1.750 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.572 1.397 6.609 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.036 -1.210 3.279 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.002 -1.905 5.375 1.00 0.00 H new ATOM 698 N GLU A 47 -9.769 5.836 4.026 1.00 0.00 N ATOM 699 CA GLU A 47 -9.981 6.557 5.275 1.00 0.00 C ATOM 700 C GLU A 47 -10.342 5.595 6.404 1.00 0.00 C ATOM 701 O GLU A 47 -11.169 4.700 6.232 1.00 0.00 O ATOM 702 CB GLU A 47 -11.088 7.600 5.107 1.00 0.00 C ATOM 703 CG GLU A 47 -10.617 8.886 4.447 1.00 0.00 C ATOM 704 CD GLU A 47 -11.438 10.090 4.866 1.00 0.00 C ATOM 705 OE1 GLU A 47 -11.634 10.281 6.084 1.00 0.00 O ATOM 706 OE2 GLU A 47 -11.883 10.843 3.974 1.00 0.00 O ATOM 0 H GLU A 47 -10.490 5.991 3.321 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.051 7.063 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.894 7.170 4.512 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.505 7.836 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.571 9.058 4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.669 8.774 3.364 1.00 0.00 H new ATOM 713 N LYS A 48 -9.714 5.787 7.559 1.00 0.00 N ATOM 714 CA LYS A 48 -9.967 4.938 8.718 1.00 0.00 C ATOM 715 C LYS A 48 -11.465 4.750 8.938 1.00 0.00 C ATOM 716 O LYS A 48 -11.895 3.756 9.522 1.00 0.00 O ATOM 717 CB LYS A 48 -9.329 5.545 9.969 1.00 0.00 C ATOM 718 CG LYS A 48 -9.331 4.611 11.167 1.00 0.00 C ATOM 719 CD LYS A 48 -8.442 5.133 12.283 1.00 0.00 C ATOM 720 CE LYS A 48 -9.207 6.058 13.218 1.00 0.00 C ATOM 721 NZ LYS A 48 -9.972 5.299 14.246 1.00 0.00 N ATOM 0 H LYS A 48 -9.026 6.523 7.718 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.521 3.962 8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.301 5.828 9.742 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.861 6.459 10.231 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.350 4.494 11.537 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.988 3.623 10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.037 4.294 12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.594 5.667 11.855 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.509 6.734 13.711 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.893 6.675 12.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.479 5.965 14.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.656 4.672 13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.315 4.729 14.817 1.00 0.00 H new ATOM 735 N GLU A 49 -12.253 5.711 8.465 1.00 0.00 N ATOM 736 CA GLU A 49 -13.703 5.649 8.610 1.00 0.00 C ATOM 737 C GLU A 49 -14.339 4.939 7.419 1.00 0.00 C ATOM 738 O GLU A 49 -15.401 4.328 7.542 1.00 0.00 O ATOM 739 CB GLU A 49 -14.284 7.058 8.747 1.00 0.00 C ATOM 740 CG GLU A 49 -14.079 7.669 10.123 1.00 0.00 C ATOM 741 CD GLU A 49 -14.793 6.899 11.216 1.00 0.00 C ATOM 742 OE1 GLU A 49 -16.005 6.637 11.062 1.00 0.00 O ATOM 743 OE2 GLU A 49 -14.142 6.558 12.225 1.00 0.00 O ATOM 0 H GLU A 49 -11.912 6.540 7.979 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.928 5.081 9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -13.826 7.705 7.999 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.351 7.025 8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -13.013 7.704 10.346 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -14.437 8.699 10.116 1.00 0.00 H new ATOM 750 N HIS A 50 -13.682 5.023 6.267 1.00 0.00 N ATOM 751 CA HIS A 50 -14.183 4.388 5.053 1.00 0.00 C ATOM 752 C HIS A 50 -13.579 2.998 4.878 1.00 0.00 C ATOM 753 O HIS A 50 -12.650 2.620 5.590 1.00 0.00 O ATOM 754 CB HIS A 50 -13.865 5.252 3.832 1.00 0.00 C ATOM 755 CG HIS A 50 -14.468 6.622 3.894 1.00 0.00 C ATOM 756 ND1 HIS A 50 -14.634 7.422 2.784 1.00 0.00 N ATOM 757 CD2 HIS A 50 -14.947 7.332 4.943 1.00 0.00 C ATOM 758 CE1 HIS A 50 -15.188 8.566 3.147 1.00 0.00 C ATOM 759 NE2 HIS A 50 -15.388 8.536 4.452 1.00 0.00 N ATOM 0 H HIS A 50 -12.802 5.524 6.148 1.00 0.00 H new ATOM 0 HA HIS A 50 -15.264 4.286 5.145 1.00 0.00 H new ATOM 0 HB2 HIS A 50 -12.783 5.344 3.734 1.00 0.00 H new ATOM 0 HB3 HIS A 50 -14.224 4.746 2.936 1.00 0.00 H new ATOM 0 HD2 HIS A 50 -14.977 7.011 5.974 1.00 0.00 H new ATOM 0 HE1 HIS A 50 -15.435 9.386 2.488 1.00 0.00 H new ATOM 0 HE2 HIS A 50 -15.803 9.286 5.005 1.00 0.00 H new ATOM 768 N ASN A 51 -14.114 2.241 3.925 1.00 0.00 N ATOM 769 CA ASN A 51 -13.629 0.892 3.658 1.00 0.00 C ATOM 770 C ASN A 51 -12.987 0.809 2.276 1.00 0.00 C ATOM 771 O ASN A 51 -12.937 1.797 1.544 1.00 0.00 O ATOM 772 CB ASN A 51 -14.776 -0.115 3.761 1.00 0.00 C ATOM 773 CG ASN A 51 -14.309 -1.476 4.239 1.00 0.00 C ATOM 774 OD1 ASN A 51 -14.170 -2.410 3.449 1.00 0.00 O ATOM 775 ND2 ASN A 51 -14.064 -1.595 5.539 1.00 0.00 N ATOM 0 H ASN A 51 -14.883 2.539 3.325 1.00 0.00 H new ATOM 0 HA ASN A 51 -12.874 0.650 4.406 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -15.532 0.268 4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -15.253 -0.219 2.786 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.747 -2.487 5.919 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -14.193 -0.794 6.158 1.00 0.00 H new ATOM 782 N GLU A 52 -12.499 -0.377 1.927 1.00 0.00 N ATOM 783 CA GLU A 52 -11.861 -0.589 0.633 1.00 0.00 C ATOM 784 C GLU A 52 -12.762 -0.111 -0.503 1.00 0.00 C ATOM 785 O GLU A 52 -12.284 0.400 -1.516 1.00 0.00 O ATOM 786 CB GLU A 52 -11.523 -2.069 0.442 1.00 0.00 C ATOM 787 CG GLU A 52 -12.698 -2.999 0.691 1.00 0.00 C ATOM 788 CD GLU A 52 -13.489 -3.290 -0.569 1.00 0.00 C ATOM 789 OE1 GLU A 52 -12.871 -3.370 -1.651 1.00 0.00 O ATOM 790 OE2 GLU A 52 -14.725 -3.438 -0.474 1.00 0.00 O ATOM 0 H GLU A 52 -12.533 -1.205 2.522 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.939 -0.008 0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -11.159 -2.222 -0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -10.709 -2.337 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -12.332 -3.936 1.110 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -13.358 -2.553 1.435 1.00 0.00 H new ATOM 797 N PHE A 53 -14.067 -0.283 -0.326 1.00 0.00 N ATOM 798 CA PHE A 53 -15.036 0.128 -1.336 1.00 0.00 C ATOM 799 C PHE A 53 -14.583 1.407 -2.035 1.00 0.00 C ATOM 800 O PHE A 53 -14.322 1.410 -3.238 1.00 0.00 O ATOM 801 CB PHE A 53 -16.410 0.342 -0.698 1.00 0.00 C ATOM 802 CG PHE A 53 -17.537 0.350 -1.690 1.00 0.00 C ATOM 803 CD1 PHE A 53 -18.083 -0.839 -2.148 1.00 0.00 C ATOM 804 CD2 PHE A 53 -18.052 1.546 -2.165 1.00 0.00 C ATOM 805 CE1 PHE A 53 -19.119 -0.834 -3.062 1.00 0.00 C ATOM 806 CE2 PHE A 53 -19.089 1.556 -3.079 1.00 0.00 C ATOM 807 CZ PHE A 53 -19.624 0.365 -3.527 1.00 0.00 C ATOM 0 H PHE A 53 -14.479 -0.704 0.507 1.00 0.00 H new ATOM 0 HA PHE A 53 -15.108 -0.666 -2.079 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.588 -0.445 0.035 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -16.407 1.288 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -17.694 -1.780 -1.786 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -17.638 2.481 -1.817 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -19.534 -1.767 -3.413 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -19.480 2.495 -3.442 1.00 0.00 H new ATOM 0 HZ PHE A 53 -20.436 0.370 -4.239 1.00 0.00 H new ATOM 817 N ASN A 54 -14.492 2.491 -1.272 1.00 0.00 N ATOM 818 CA ASN A 54 -14.072 3.777 -1.818 1.00 0.00 C ATOM 819 C ASN A 54 -12.635 4.095 -1.414 1.00 0.00 C ATOM 820 O ASN A 54 -12.376 5.090 -0.737 1.00 0.00 O ATOM 821 CB ASN A 54 -15.007 4.888 -1.338 1.00 0.00 C ATOM 822 CG ASN A 54 -16.233 5.032 -2.219 1.00 0.00 C ATOM 823 OD1 ASN A 54 -16.123 5.186 -3.435 1.00 0.00 O ATOM 824 ND2 ASN A 54 -17.410 4.983 -1.606 1.00 0.00 N ATOM 0 H ASN A 54 -14.703 2.505 -0.274 1.00 0.00 H new ATOM 0 HA ASN A 54 -14.120 3.716 -2.905 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -15.320 4.679 -0.315 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -14.464 5.833 -1.318 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -18.270 5.075 -2.146 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.454 4.854 -0.595 1.00 0.00 H new ATOM 831 N SER A 55 -11.705 3.245 -1.835 1.00 0.00 N ATOM 832 CA SER A 55 -10.295 3.434 -1.515 1.00 0.00 C ATOM 833 C SER A 55 -9.511 3.865 -2.751 1.00 0.00 C ATOM 834 O SER A 55 -10.063 3.967 -3.846 1.00 0.00 O ATOM 835 CB SER A 55 -9.702 2.143 -0.946 1.00 0.00 C ATOM 836 OG SER A 55 -8.415 2.371 -0.398 1.00 0.00 O ATOM 0 H SER A 55 -11.902 2.418 -2.399 1.00 0.00 H new ATOM 0 HA SER A 55 -10.220 4.222 -0.765 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.363 1.744 -0.177 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.638 1.391 -1.732 1.00 0.00 H new ATOM 0 HG SER A 55 -8.356 3.294 -0.075 1.00 0.00 H new ATOM 842 N SER A 56 -8.219 4.119 -2.565 1.00 0.00 N ATOM 843 CA SER A 56 -7.358 4.544 -3.662 1.00 0.00 C ATOM 844 C SER A 56 -6.189 3.580 -3.840 1.00 0.00 C ATOM 845 O SER A 56 -5.455 3.296 -2.894 1.00 0.00 O ATOM 846 CB SER A 56 -6.834 5.958 -3.409 1.00 0.00 C ATOM 847 OG SER A 56 -7.890 6.903 -3.418 1.00 0.00 O ATOM 0 H SER A 56 -7.746 4.038 -1.665 1.00 0.00 H new ATOM 0 HA SER A 56 -7.950 4.542 -4.577 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.320 5.992 -2.449 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.101 6.220 -4.172 1.00 0.00 H new ATOM 0 HG SER A 56 -7.529 7.799 -3.252 1.00 0.00 H new ATOM 853 N MET A 57 -6.022 3.080 -5.060 1.00 0.00 N ATOM 854 CA MET A 57 -4.942 2.149 -5.363 1.00 0.00 C ATOM 855 C MET A 57 -3.836 2.839 -6.156 1.00 0.00 C ATOM 856 O MET A 57 -4.103 3.712 -6.981 1.00 0.00 O ATOM 857 CB MET A 57 -5.478 0.951 -6.149 1.00 0.00 C ATOM 858 CG MET A 57 -6.374 0.038 -5.329 1.00 0.00 C ATOM 859 SD MET A 57 -6.985 -1.369 -6.276 1.00 0.00 S ATOM 860 CE MET A 57 -6.639 -2.715 -5.146 1.00 0.00 C ATOM 0 H MET A 57 -6.621 3.304 -5.855 1.00 0.00 H new ATOM 0 HA MET A 57 -4.523 1.797 -4.420 1.00 0.00 H new ATOM 0 HB2 MET A 57 -6.036 1.314 -7.013 1.00 0.00 H new ATOM 0 HB3 MET A 57 -4.637 0.373 -6.532 1.00 0.00 H new ATOM 0 HG2 MET A 57 -5.821 -0.325 -4.463 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.220 0.611 -4.950 1.00 0.00 H new ATOM 0 HE1 MET A 57 -5.742 -3.242 -5.472 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.482 -2.317 -4.143 1.00 0.00 H new ATOM 0 HE3 MET A 57 -7.482 -3.406 -5.134 1.00 0.00 H new ATOM 870 N ALA A 58 -2.594 2.441 -5.900 1.00 0.00 N ATOM 871 CA ALA A 58 -1.449 3.020 -6.591 1.00 0.00 C ATOM 872 C ALA A 58 -0.447 1.942 -6.993 1.00 0.00 C ATOM 873 O ALA A 58 -0.076 1.094 -6.182 1.00 0.00 O ATOM 874 CB ALA A 58 -0.777 4.067 -5.715 1.00 0.00 C ATOM 0 H ALA A 58 -2.355 1.720 -5.219 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.810 3.501 -7.500 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.076 4.491 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.489 4.859 -5.483 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.436 3.603 -4.790 1.00 0.00 H new ATOM 880 N ARG A 59 -0.015 1.981 -8.249 1.00 0.00 N ATOM 881 CA ARG A 59 0.941 1.006 -8.758 1.00 0.00 C ATOM 882 C ARG A 59 2.374 1.469 -8.509 1.00 0.00 C ATOM 883 O ARG A 59 2.707 2.633 -8.726 1.00 0.00 O ATOM 884 CB ARG A 59 0.721 0.776 -10.254 1.00 0.00 C ATOM 885 CG ARG A 59 -0.390 -0.215 -10.562 1.00 0.00 C ATOM 886 CD ARG A 59 -0.939 -0.019 -11.966 1.00 0.00 C ATOM 887 NE ARG A 59 0.024 -0.415 -12.990 1.00 0.00 N ATOM 888 CZ ARG A 59 -0.230 -0.371 -14.294 1.00 0.00 C ATOM 889 NH1 ARG A 59 -1.409 0.051 -14.729 1.00 0.00 N ATOM 890 NH2 ARG A 59 0.697 -0.748 -15.164 1.00 0.00 N ATOM 0 H ARG A 59 -0.312 2.677 -8.933 1.00 0.00 H new ATOM 0 HA ARG A 59 0.782 0.068 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 59 0.488 1.729 -10.729 1.00 0.00 H new ATOM 0 HB3 ARG A 59 1.650 0.417 -10.698 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -0.011 -1.232 -10.457 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.195 -0.098 -9.836 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.853 -0.602 -12.083 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -1.208 1.028 -12.107 1.00 0.00 H new ATOM 0 HE ARG A 59 0.941 -0.743 -12.688 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.124 0.343 -14.063 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -1.601 0.084 -15.730 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.606 -1.072 -14.833 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.501 -0.714 -16.164 1.00 0.00 H new ATOM 904 N SER A 60 3.217 0.548 -8.052 1.00 0.00 N ATOM 905 CA SER A 60 4.612 0.862 -7.769 1.00 0.00 C ATOM 906 C SER A 60 5.543 -0.142 -8.443 1.00 0.00 C ATOM 907 O SER A 60 5.354 -1.352 -8.327 1.00 0.00 O ATOM 908 CB SER A 60 4.860 0.871 -6.260 1.00 0.00 C ATOM 909 OG SER A 60 6.245 0.809 -5.969 1.00 0.00 O ATOM 0 H SER A 60 2.958 -0.422 -7.870 1.00 0.00 H new ATOM 0 HA SER A 60 4.823 1.853 -8.170 1.00 0.00 H new ATOM 0 HB2 SER A 60 4.434 1.775 -5.824 1.00 0.00 H new ATOM 0 HB3 SER A 60 4.351 0.024 -5.800 1.00 0.00 H new ATOM 0 HG SER A 60 6.412 0.091 -5.323 1.00 0.00 H new ATOM 915 N GLN A 61 6.547 0.371 -9.147 1.00 0.00 N ATOM 916 CA GLN A 61 7.506 -0.481 -9.840 1.00 0.00 C ATOM 917 C GLN A 61 8.624 -0.919 -8.899 1.00 0.00 C ATOM 918 O GLN A 61 9.678 -1.377 -9.340 1.00 0.00 O ATOM 919 CB GLN A 61 8.097 0.255 -11.044 1.00 0.00 C ATOM 920 CG GLN A 61 7.097 0.488 -12.165 1.00 0.00 C ATOM 921 CD GLN A 61 7.765 0.849 -13.477 1.00 0.00 C ATOM 922 OE1 GLN A 61 8.992 0.849 -13.583 1.00 0.00 O ATOM 923 NE2 GLN A 61 6.960 1.160 -14.486 1.00 0.00 N ATOM 0 H GLN A 61 6.717 1.371 -9.252 1.00 0.00 H new ATOM 0 HA GLN A 61 6.979 -1.369 -10.188 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.491 1.216 -10.714 1.00 0.00 H new ATOM 0 HB3 GLN A 61 8.939 -0.318 -11.432 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.496 -0.411 -12.303 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.414 1.287 -11.877 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.949 1.147 -14.354 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.353 1.412 -15.393 1.00 0.00 H new ATOM 932 N THR A 62 8.386 -0.776 -7.599 1.00 0.00 N ATOM 933 CA THR A 62 9.373 -1.156 -6.595 1.00 0.00 C ATOM 934 C THR A 62 8.710 -1.441 -5.253 1.00 0.00 C ATOM 935 O THR A 62 7.500 -1.280 -5.101 1.00 0.00 O ATOM 936 CB THR A 62 10.435 -0.056 -6.407 1.00 0.00 C ATOM 937 OG1 THR A 62 11.235 -0.340 -5.254 1.00 0.00 O ATOM 938 CG2 THR A 62 9.779 1.308 -6.252 1.00 0.00 C ATOM 0 H THR A 62 7.518 -0.400 -7.216 1.00 0.00 H new ATOM 0 HA THR A 62 9.859 -2.062 -6.957 1.00 0.00 H new ATOM 0 HB THR A 62 11.069 -0.038 -7.293 1.00 0.00 H new ATOM 0 HG1 THR A 62 12.003 0.268 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 62 10.548 2.069 -6.121 1.00 0.00 H new ATOM 0 HG22 THR A 62 9.194 1.534 -7.144 1.00 0.00 H new ATOM 0 HG23 THR A 62 9.124 1.300 -5.381 1.00 0.00 H new ATOM 946 N ASN A 63 9.510 -1.866 -4.281 1.00 0.00 N ATOM 947 CA ASN A 63 9.000 -2.175 -2.950 1.00 0.00 C ATOM 948 C ASN A 63 8.881 -0.909 -2.106 1.00 0.00 C ATOM 949 O ASN A 63 8.808 -0.971 -0.879 1.00 0.00 O ATOM 950 CB ASN A 63 9.915 -3.183 -2.251 1.00 0.00 C ATOM 951 CG ASN A 63 9.506 -4.618 -2.520 1.00 0.00 C ATOM 952 OD1 ASN A 63 9.549 -5.084 -3.659 1.00 0.00 O ATOM 953 ND2 ASN A 63 9.106 -5.326 -1.470 1.00 0.00 N ATOM 0 H ASN A 63 10.515 -2.004 -4.390 1.00 0.00 H new ATOM 0 HA ASN A 63 8.008 -2.612 -3.061 1.00 0.00 H new ATOM 0 HB2 ASN A 63 10.941 -3.032 -2.586 1.00 0.00 H new ATOM 0 HB3 ASN A 63 9.900 -2.999 -1.177 1.00 0.00 H new ATOM 0 HD21 ASN A 63 8.818 -6.297 -1.589 1.00 0.00 H new ATOM 0 HD22 ASN A 63 9.086 -4.898 -0.544 1.00 0.00 H new ATOM 960 N THR A 64 8.861 0.241 -2.774 1.00 0.00 N ATOM 961 CA THR A 64 8.751 1.521 -2.087 1.00 0.00 C ATOM 962 C THR A 64 7.819 2.468 -2.834 1.00 0.00 C ATOM 963 O THR A 64 7.973 2.686 -4.035 1.00 0.00 O ATOM 964 CB THR A 64 10.128 2.194 -1.929 1.00 0.00 C ATOM 965 OG1 THR A 64 9.964 3.592 -1.669 1.00 0.00 O ATOM 966 CG2 THR A 64 10.972 2.001 -3.180 1.00 0.00 C ATOM 0 H THR A 64 8.920 0.311 -3.790 1.00 0.00 H new ATOM 0 HA THR A 64 8.340 1.315 -1.099 1.00 0.00 H new ATOM 0 HB THR A 64 10.641 1.727 -1.088 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.844 4.011 -1.568 1.00 0.00 H new ATOM 0 HG21 THR A 64 11.939 2.485 -3.045 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.121 0.936 -3.358 1.00 0.00 H new ATOM 0 HG23 THR A 64 10.461 2.444 -4.035 1.00 0.00 H new ATOM 974 N ALA A 65 6.852 3.029 -2.115 1.00 0.00 N ATOM 975 CA ALA A 65 5.897 3.955 -2.710 1.00 0.00 C ATOM 976 C ALA A 65 5.364 4.936 -1.671 1.00 0.00 C ATOM 977 O ALA A 65 5.274 4.614 -0.487 1.00 0.00 O ATOM 978 CB ALA A 65 4.750 3.189 -3.352 1.00 0.00 C ATOM 0 H ALA A 65 6.710 2.858 -1.120 1.00 0.00 H new ATOM 0 HA ALA A 65 6.414 4.527 -3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.044 3.893 -3.793 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.141 2.533 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 65 4.242 2.592 -2.595 1.00 0.00 H new ATOM 984 N ARG A 66 5.012 6.136 -2.123 1.00 0.00 N ATOM 985 CA ARG A 66 4.490 7.165 -1.233 1.00 0.00 C ATOM 986 C ARG A 66 3.087 7.590 -1.656 1.00 0.00 C ATOM 987 O ARG A 66 2.842 7.878 -2.828 1.00 0.00 O ATOM 988 CB ARG A 66 5.420 8.380 -1.221 1.00 0.00 C ATOM 989 CG ARG A 66 4.851 9.576 -0.477 1.00 0.00 C ATOM 990 CD ARG A 66 5.385 10.886 -1.035 1.00 0.00 C ATOM 991 NE ARG A 66 6.738 11.170 -0.563 1.00 0.00 N ATOM 992 CZ ARG A 66 7.523 12.097 -1.100 1.00 0.00 C ATOM 993 NH1 ARG A 66 7.093 12.826 -2.121 1.00 0.00 N ATOM 994 NH2 ARG A 66 8.742 12.297 -0.615 1.00 0.00 N ATOM 0 H ARG A 66 5.079 6.419 -3.101 1.00 0.00 H new ATOM 0 HA ARG A 66 4.437 6.747 -0.228 1.00 0.00 H new ATOM 0 HB2 ARG A 66 6.368 8.096 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.636 8.672 -2.249 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.763 9.566 -0.548 1.00 0.00 H new ATOM 0 HG3 ARG A 66 5.102 9.501 0.581 1.00 0.00 H new ATOM 0 HD2 ARG A 66 5.382 10.844 -2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.721 11.701 -0.746 1.00 0.00 H new ATOM 0 HE ARG A 66 7.099 10.627 0.221 1.00 0.00 H new ATOM 0 HH11 ARG A 66 6.157 12.676 -2.496 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.699 13.537 -2.531 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.076 11.739 0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 66 9.345 13.009 -1.028 1.00 0.00 H new ATOM 1008 N ILE A 67 2.170 7.625 -0.695 1.00 0.00 N ATOM 1009 CA ILE A 67 0.792 8.014 -0.968 1.00 0.00 C ATOM 1010 C ILE A 67 0.619 9.526 -0.870 1.00 0.00 C ATOM 1011 O ILE A 67 0.893 10.127 0.169 1.00 0.00 O ATOM 1012 CB ILE A 67 -0.189 7.332 0.004 1.00 0.00 C ATOM 1013 CG1 ILE A 67 0.227 5.880 0.247 1.00 0.00 C ATOM 1014 CG2 ILE A 67 -1.607 7.398 -0.543 1.00 0.00 C ATOM 1015 CD1 ILE A 67 0.226 5.033 -1.005 1.00 0.00 C ATOM 0 H ILE A 67 2.356 7.389 0.280 1.00 0.00 H new ATOM 0 HA ILE A 67 0.568 7.690 -1.984 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.162 7.862 0.956 1.00 0.00 H new ATOM 0 HG12 ILE A 67 1.225 5.865 0.685 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -0.448 5.435 0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -2.289 6.912 0.155 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -1.900 8.440 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -1.650 6.889 -1.506 1.00 0.00 H new ATOM 0 HD11 ILE A 67 0.531 4.016 -0.757 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.776 5.017 -1.433 1.00 0.00 H new ATOM 0 HD13 ILE A 67 0.923 5.454 -1.730 1.00 0.00 H new ATOM 1027 N ASP A 68 0.160 10.135 -1.958 1.00 0.00 N ATOM 1028 CA ASP A 68 -0.054 11.577 -1.995 1.00 0.00 C ATOM 1029 C ASP A 68 -1.534 11.903 -2.168 1.00 0.00 C ATOM 1030 O ASP A 68 -2.264 11.181 -2.845 1.00 0.00 O ATOM 1031 CB ASP A 68 0.756 12.205 -3.130 1.00 0.00 C ATOM 1032 CG ASP A 68 0.299 11.734 -4.497 1.00 0.00 C ATOM 1033 OD1 ASP A 68 0.215 10.505 -4.702 1.00 0.00 O ATOM 1034 OD2 ASP A 68 0.026 12.593 -5.361 1.00 0.00 O ATOM 0 H ASP A 68 -0.071 9.652 -2.826 1.00 0.00 H new ATOM 0 HA ASP A 68 0.282 11.994 -1.046 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.671 13.290 -3.076 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.810 11.961 -2.998 1.00 0.00 H new ATOM 1039 N GLY A 69 -1.971 12.996 -1.549 1.00 0.00 N ATOM 1040 CA GLY A 69 -3.362 13.397 -1.645 1.00 0.00 C ATOM 1041 C GLY A 69 -4.163 13.013 -0.417 1.00 0.00 C ATOM 1042 O GLY A 69 -5.278 12.502 -0.529 1.00 0.00 O ATOM 0 H GLY A 69 -1.386 13.611 -0.983 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -3.417 14.476 -1.788 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -3.810 12.936 -2.526 1.00 0.00 H new ATOM 1046 N LEU A 70 -3.594 13.258 0.758 1.00 0.00 N ATOM 1047 CA LEU A 70 -4.262 12.933 2.014 1.00 0.00 C ATOM 1048 C LEU A 70 -4.487 14.187 2.852 1.00 0.00 C ATOM 1049 O LEU A 70 -3.975 15.260 2.531 1.00 0.00 O ATOM 1050 CB LEU A 70 -3.436 11.918 2.806 1.00 0.00 C ATOM 1051 CG LEU A 70 -2.871 10.743 2.007 1.00 0.00 C ATOM 1052 CD1 LEU A 70 -1.874 9.958 2.845 1.00 0.00 C ATOM 1053 CD2 LEU A 70 -3.995 9.837 1.524 1.00 0.00 C ATOM 0 H LEU A 70 -2.672 13.680 0.868 1.00 0.00 H new ATOM 0 HA LEU A 70 -5.233 12.497 1.778 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -2.606 12.444 3.277 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.058 11.520 3.608 1.00 0.00 H new ATOM 0 HG LEU A 70 -2.350 11.138 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -1.483 9.126 2.260 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -1.053 10.611 3.141 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -2.371 9.573 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.575 9.006 0.957 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.544 9.450 2.382 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.672 10.405 0.886 1.00 0.00 H new ATOM 1065 N ARG A 71 -5.254 14.044 3.927 1.00 0.00 N ATOM 1066 CA ARG A 71 -5.546 15.166 4.812 1.00 0.00 C ATOM 1067 C ARG A 71 -4.550 15.220 5.967 1.00 0.00 C ATOM 1068 O ARG A 71 -3.961 14.213 6.359 1.00 0.00 O ATOM 1069 CB ARG A 71 -6.971 15.055 5.358 1.00 0.00 C ATOM 1070 CG ARG A 71 -8.045 15.257 4.302 1.00 0.00 C ATOM 1071 CD ARG A 71 -8.446 16.720 4.188 1.00 0.00 C ATOM 1072 NE ARG A 71 -9.025 17.227 5.429 1.00 0.00 N ATOM 1073 CZ ARG A 71 -9.407 18.487 5.601 1.00 0.00 C ATOM 1074 NH1 ARG A 71 -9.272 19.364 4.616 1.00 0.00 N ATOM 1075 NH2 ARG A 71 -9.925 18.873 6.760 1.00 0.00 N ATOM 0 H ARG A 71 -5.685 13.163 4.207 1.00 0.00 H new ATOM 0 HA ARG A 71 -5.456 16.086 4.234 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -7.101 14.073 5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -7.107 15.793 6.148 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -7.680 14.902 3.338 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.920 14.657 4.552 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.572 17.316 3.926 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -9.166 16.836 3.378 1.00 0.00 H new ATOM 0 HE ARG A 71 -9.142 16.577 6.207 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.874 19.071 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.566 20.331 4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.030 18.201 7.520 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.218 19.841 6.890 1.00 0.00 H new ATOM 1089 N PRO A 72 -4.356 16.424 6.526 1.00 0.00 N ATOM 1090 CA PRO A 72 -3.432 16.639 7.643 1.00 0.00 C ATOM 1091 C PRO A 72 -3.934 16.010 8.939 1.00 0.00 C ATOM 1092 O PRO A 72 -5.113 16.113 9.275 1.00 0.00 O ATOM 1093 CB PRO A 72 -3.382 18.163 7.774 1.00 0.00 C ATOM 1094 CG PRO A 72 -4.676 18.635 7.207 1.00 0.00 C ATOM 1095 CD PRO A 72 -5.025 17.668 6.110 1.00 0.00 C ATOM 0 HA PRO A 72 -2.460 16.181 7.462 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -3.271 18.467 8.815 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -2.535 18.580 7.228 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.453 18.655 7.971 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.585 19.649 6.819 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -6.103 17.534 6.020 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -4.665 18.013 5.141 1.00 0.00 H new ATOM 1103 N GLY A 73 -3.029 15.357 9.663 1.00 0.00 N ATOM 1104 CA GLY A 73 -3.400 14.722 10.914 1.00 0.00 C ATOM 1105 C GLY A 73 -4.544 13.741 10.750 1.00 0.00 C ATOM 1106 O GLY A 73 -5.508 13.768 11.514 1.00 0.00 O ATOM 0 H GLY A 73 -2.047 15.257 9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -2.535 14.201 11.324 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.683 15.488 11.637 1.00 0.00 H new ATOM 1110 N MET A 74 -4.439 12.874 9.749 1.00 0.00 N ATOM 1111 CA MET A 74 -5.474 11.880 9.486 1.00 0.00 C ATOM 1112 C MET A 74 -4.867 10.489 9.338 1.00 0.00 C ATOM 1113 O MET A 74 -3.774 10.332 8.794 1.00 0.00 O ATOM 1114 CB MET A 74 -6.254 12.247 8.222 1.00 0.00 C ATOM 1115 CG MET A 74 -7.163 11.135 7.725 1.00 0.00 C ATOM 1116 SD MET A 74 -8.591 10.874 8.794 1.00 0.00 S ATOM 1117 CE MET A 74 -9.319 12.511 8.791 1.00 0.00 C ATOM 0 H MET A 74 -3.648 12.839 9.106 1.00 0.00 H new ATOM 0 HA MET A 74 -6.157 11.870 10.335 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.855 13.135 8.420 1.00 0.00 H new ATOM 0 HB3 MET A 74 -5.549 12.509 7.433 1.00 0.00 H new ATOM 0 HG2 MET A 74 -7.507 11.375 6.719 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.593 10.209 7.655 1.00 0.00 H new ATOM 0 HE1 MET A 74 -10.385 12.436 9.007 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.837 13.125 9.552 1.00 0.00 H new ATOM 0 HE3 MET A 74 -9.179 12.970 7.812 1.00 0.00 H new ATOM 1127 N VAL A 75 -5.583 9.481 9.825 1.00 0.00 N ATOM 1128 CA VAL A 75 -5.115 8.102 9.745 1.00 0.00 C ATOM 1129 C VAL A 75 -5.653 7.411 8.497 1.00 0.00 C ATOM 1130 O VAL A 75 -6.838 7.513 8.179 1.00 0.00 O ATOM 1131 CB VAL A 75 -5.536 7.294 10.988 1.00 0.00 C ATOM 1132 CG1 VAL A 75 -4.990 5.876 10.913 1.00 0.00 C ATOM 1133 CG2 VAL A 75 -5.067 7.988 12.258 1.00 0.00 C ATOM 0 H VAL A 75 -6.489 9.593 10.279 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.027 8.139 9.696 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.624 7.238 11.012 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -5.297 5.320 11.799 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.379 5.383 10.022 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.902 5.907 10.864 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -5.373 7.404 13.126 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.981 8.076 12.244 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -5.511 8.982 12.315 1.00 0.00 H new ATOM 1143 N TYR A 76 -4.774 6.706 7.794 1.00 0.00 N ATOM 1144 CA TYR A 76 -5.159 5.998 6.578 1.00 0.00 C ATOM 1145 C TYR A 76 -4.648 4.561 6.600 1.00 0.00 C ATOM 1146 O TYR A 76 -3.477 4.310 6.886 1.00 0.00 O ATOM 1147 CB TYR A 76 -4.617 6.725 5.346 1.00 0.00 C ATOM 1148 CG TYR A 76 -5.271 8.066 5.099 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -4.765 9.225 5.674 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -6.395 8.174 4.289 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -5.359 10.452 5.452 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -6.995 9.397 4.059 1.00 0.00 C ATOM 1153 CZ TYR A 76 -6.474 10.533 4.643 1.00 0.00 C ATOM 1154 OH TYR A 76 -7.068 11.753 4.418 1.00 0.00 O ATOM 0 H TYR A 76 -3.790 6.609 8.045 1.00 0.00 H new ATOM 0 HA TYR A 76 -6.248 5.977 6.529 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -3.543 6.870 5.463 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -4.760 6.093 4.469 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -3.891 9.165 6.306 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.807 7.287 3.831 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.953 11.343 5.909 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.867 9.463 3.425 1.00 0.00 H new ATOM 0 HH TYR A 76 -7.840 11.637 3.826 1.00 0.00 H new ATOM 1164 N VAL A 77 -5.535 3.619 6.294 1.00 0.00 N ATOM 1165 CA VAL A 77 -5.175 2.207 6.276 1.00 0.00 C ATOM 1166 C VAL A 77 -4.572 1.810 4.933 1.00 0.00 C ATOM 1167 O VAL A 77 -5.292 1.494 3.985 1.00 0.00 O ATOM 1168 CB VAL A 77 -6.397 1.313 6.561 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -5.997 -0.155 6.559 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -7.039 1.697 7.886 1.00 0.00 C ATOM 0 H VAL A 77 -6.508 3.809 6.055 1.00 0.00 H new ATOM 0 HA VAL A 77 -4.434 2.060 7.062 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.130 1.466 5.769 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.873 -0.771 6.762 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.586 -0.419 5.585 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.245 -0.328 7.329 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -7.901 1.056 8.072 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.314 1.574 8.691 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.363 2.737 7.846 1.00 0.00 H new ATOM 1180 N VAL A 78 -3.245 1.829 4.857 1.00 0.00 N ATOM 1181 CA VAL A 78 -2.544 1.470 3.630 1.00 0.00 C ATOM 1182 C VAL A 78 -2.124 0.004 3.647 1.00 0.00 C ATOM 1183 O VAL A 78 -1.674 -0.511 4.670 1.00 0.00 O ATOM 1184 CB VAL A 78 -1.297 2.348 3.419 1.00 0.00 C ATOM 1185 CG1 VAL A 78 -0.563 1.939 2.151 1.00 0.00 C ATOM 1186 CG2 VAL A 78 -1.683 3.819 3.370 1.00 0.00 C ATOM 0 H VAL A 78 -2.634 2.089 5.631 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.239 1.636 2.807 1.00 0.00 H new ATOM 0 HB VAL A 78 -0.624 2.200 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 78 0.315 2.571 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.252 0.897 2.231 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -1.226 2.055 1.293 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -0.789 4.425 3.220 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -2.377 3.986 2.546 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -2.160 4.101 4.309 1.00 0.00 H new ATOM 1196 N GLN A 79 -2.272 -0.661 2.506 1.00 0.00 N ATOM 1197 CA GLN A 79 -1.908 -2.068 2.389 1.00 0.00 C ATOM 1198 C GLN A 79 -1.199 -2.339 1.066 1.00 0.00 C ATOM 1199 O GLN A 79 -1.537 -1.754 0.037 1.00 0.00 O ATOM 1200 CB GLN A 79 -3.152 -2.950 2.504 1.00 0.00 C ATOM 1201 CG GLN A 79 -3.923 -2.749 3.799 1.00 0.00 C ATOM 1202 CD GLN A 79 -5.356 -3.234 3.706 1.00 0.00 C ATOM 1203 OE1 GLN A 79 -6.294 -2.437 3.702 1.00 0.00 O ATOM 1204 NE2 GLN A 79 -5.533 -4.548 3.631 1.00 0.00 N ATOM 0 H GLN A 79 -2.641 -0.248 1.650 1.00 0.00 H new ATOM 0 HA GLN A 79 -1.224 -2.309 3.203 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -3.813 -2.744 1.662 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -2.854 -3.996 2.427 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -3.416 -3.279 4.605 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -3.918 -1.691 4.060 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -4.726 -5.172 3.638 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -6.475 -4.933 3.567 1.00 0.00 H new ATOM 1213 N VAL A 80 -0.212 -3.229 1.101 1.00 0.00 N ATOM 1214 CA VAL A 80 0.545 -3.578 -0.095 1.00 0.00 C ATOM 1215 C VAL A 80 0.513 -5.081 -0.347 1.00 0.00 C ATOM 1216 O VAL A 80 0.595 -5.879 0.588 1.00 0.00 O ATOM 1217 CB VAL A 80 2.011 -3.118 0.014 1.00 0.00 C ATOM 1218 CG1 VAL A 80 2.694 -3.786 1.197 1.00 0.00 C ATOM 1219 CG2 VAL A 80 2.758 -3.410 -1.279 1.00 0.00 C ATOM 0 H VAL A 80 0.082 -3.721 1.945 1.00 0.00 H new ATOM 0 HA VAL A 80 0.071 -3.062 -0.930 1.00 0.00 H new ATOM 0 HB VAL A 80 2.024 -2.041 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.729 -3.449 1.258 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.171 -3.521 2.116 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.672 -4.868 1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 80 3.792 -3.079 -1.185 1.00 0.00 H new ATOM 0 HG22 VAL A 80 2.737 -4.482 -1.477 1.00 0.00 H new ATOM 0 HG23 VAL A 80 2.281 -2.879 -2.103 1.00 0.00 H new ATOM 1229 N ARG A 81 0.394 -5.461 -1.614 1.00 0.00 N ATOM 1230 CA ARG A 81 0.350 -6.870 -1.989 1.00 0.00 C ATOM 1231 C ARG A 81 1.310 -7.156 -3.140 1.00 0.00 C ATOM 1232 O ARG A 81 1.799 -6.237 -3.797 1.00 0.00 O ATOM 1233 CB ARG A 81 -1.072 -7.270 -2.385 1.00 0.00 C ATOM 1234 CG ARG A 81 -1.628 -6.470 -3.552 1.00 0.00 C ATOM 1235 CD ARG A 81 -2.841 -7.149 -4.166 1.00 0.00 C ATOM 1236 NE ARG A 81 -3.596 -6.245 -5.029 1.00 0.00 N ATOM 1237 CZ ARG A 81 -4.844 -6.476 -5.422 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -5.474 -7.575 -5.031 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -5.465 -5.605 -6.208 1.00 0.00 N ATOM 0 H ARG A 81 0.326 -4.813 -2.399 1.00 0.00 H new ATOM 0 HA ARG A 81 0.659 -7.460 -1.126 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -1.084 -8.329 -2.643 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -1.729 -7.145 -1.524 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.902 -5.471 -3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.855 -6.347 -4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -2.518 -8.015 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.490 -7.519 -3.372 1.00 0.00 H new ATOM 0 HE ARG A 81 -3.141 -5.390 -5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.001 -8.246 -4.426 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.432 -7.749 -5.335 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -4.984 -4.758 -6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -6.423 -5.783 -6.509 1.00 0.00 H new ATOM 1253 N ALA A 82 1.576 -8.436 -3.378 1.00 0.00 N ATOM 1254 CA ALA A 82 2.476 -8.844 -4.449 1.00 0.00 C ATOM 1255 C ALA A 82 1.701 -9.430 -5.624 1.00 0.00 C ATOM 1256 O ALA A 82 0.865 -10.317 -5.448 1.00 0.00 O ATOM 1257 CB ALA A 82 3.493 -9.850 -3.931 1.00 0.00 C ATOM 0 H ALA A 82 1.180 -9.209 -2.843 1.00 0.00 H new ATOM 0 HA ALA A 82 3.005 -7.959 -4.801 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.158 -10.145 -4.742 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.077 -9.397 -3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 82 2.973 -10.729 -3.549 1.00 0.00 H new ATOM 1263 N ARG A 83 1.982 -8.928 -6.822 1.00 0.00 N ATOM 1264 CA ARG A 83 1.309 -9.401 -8.026 1.00 0.00 C ATOM 1265 C ARG A 83 2.305 -10.037 -8.992 1.00 0.00 C ATOM 1266 O ARG A 83 3.474 -9.652 -9.039 1.00 0.00 O ATOM 1267 CB ARG A 83 0.580 -8.247 -8.716 1.00 0.00 C ATOM 1268 CG ARG A 83 -0.231 -8.676 -9.928 1.00 0.00 C ATOM 1269 CD ARG A 83 -0.985 -7.504 -10.536 1.00 0.00 C ATOM 1270 NE ARG A 83 -1.170 -7.661 -11.977 1.00 0.00 N ATOM 1271 CZ ARG A 83 -2.043 -8.504 -12.518 1.00 0.00 C ATOM 1272 NH1 ARG A 83 -2.807 -9.261 -11.743 1.00 0.00 N ATOM 1273 NH2 ARG A 83 -2.153 -8.590 -13.837 1.00 0.00 N ATOM 0 H ARG A 83 2.671 -8.194 -6.985 1.00 0.00 H new ATOM 0 HA ARG A 83 0.581 -10.157 -7.731 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.084 -7.766 -7.997 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.311 -7.500 -9.025 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.432 -9.111 -10.676 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -0.938 -9.454 -9.638 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.958 -7.409 -10.054 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.440 -6.581 -10.339 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.598 -7.093 -12.601 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.726 -9.197 -10.728 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.476 -9.907 -12.161 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -1.567 -8.009 -14.437 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.823 -9.237 -14.252 1.00 0.00 H new ATOM 1287 N THR A 84 1.835 -11.014 -9.761 1.00 0.00 N ATOM 1288 CA THR A 84 2.683 -11.705 -10.724 1.00 0.00 C ATOM 1289 C THR A 84 1.894 -12.106 -11.964 1.00 0.00 C ATOM 1290 O THR A 84 0.695 -11.844 -12.061 1.00 0.00 O ATOM 1291 CB THR A 84 3.323 -12.963 -10.107 1.00 0.00 C ATOM 1292 OG1 THR A 84 2.333 -13.984 -9.940 1.00 0.00 O ATOM 1293 CG2 THR A 84 3.962 -12.643 -8.764 1.00 0.00 C ATOM 0 H THR A 84 0.870 -11.345 -9.735 1.00 0.00 H new ATOM 0 HA THR A 84 3.471 -11.008 -11.009 1.00 0.00 H new ATOM 0 HB THR A 84 4.100 -13.318 -10.784 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.748 -14.781 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 84 4.407 -13.547 -8.348 1.00 0.00 H new ATOM 0 HG22 THR A 84 4.735 -11.887 -8.900 1.00 0.00 H new ATOM 0 HG23 THR A 84 3.202 -12.265 -8.080 1.00 0.00 H new ATOM 1301 N VAL A 85 2.573 -12.743 -12.912 1.00 0.00 N ATOM 1302 CA VAL A 85 1.934 -13.182 -14.147 1.00 0.00 C ATOM 1303 C VAL A 85 0.769 -14.122 -13.859 1.00 0.00 C ATOM 1304 O VAL A 85 -0.024 -14.434 -14.747 1.00 0.00 O ATOM 1305 CB VAL A 85 2.936 -13.894 -15.075 1.00 0.00 C ATOM 1306 CG1 VAL A 85 3.202 -15.311 -14.588 1.00 0.00 C ATOM 1307 CG2 VAL A 85 2.423 -13.902 -16.507 1.00 0.00 C ATOM 0 H VAL A 85 3.566 -12.967 -12.849 1.00 0.00 H new ATOM 0 HA VAL A 85 1.561 -12.287 -14.645 1.00 0.00 H new ATOM 0 HB VAL A 85 3.877 -13.345 -15.053 1.00 0.00 H new ATOM 0 HG11 VAL A 85 3.912 -15.798 -15.256 1.00 0.00 H new ATOM 0 HG12 VAL A 85 3.616 -15.278 -13.580 1.00 0.00 H new ATOM 0 HG13 VAL A 85 2.268 -15.874 -14.578 1.00 0.00 H new ATOM 0 HG21 VAL A 85 3.144 -14.409 -17.149 1.00 0.00 H new ATOM 0 HG22 VAL A 85 1.468 -14.426 -16.549 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.289 -12.876 -16.851 1.00 0.00 H new ATOM 1317 N ALA A 86 0.672 -14.570 -12.611 1.00 0.00 N ATOM 1318 CA ALA A 86 -0.398 -15.472 -12.205 1.00 0.00 C ATOM 1319 C ALA A 86 -1.640 -14.695 -11.781 1.00 0.00 C ATOM 1320 O ALA A 86 -2.751 -14.997 -12.215 1.00 0.00 O ATOM 1321 CB ALA A 86 0.073 -16.374 -11.074 1.00 0.00 C ATOM 0 H ALA A 86 1.322 -14.323 -11.864 1.00 0.00 H new ATOM 0 HA ALA A 86 -0.663 -16.090 -13.063 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -0.736 -17.043 -10.781 1.00 0.00 H new ATOM 0 HB2 ALA A 86 0.927 -16.963 -11.410 1.00 0.00 H new ATOM 0 HB3 ALA A 86 0.367 -15.764 -10.220 1.00 0.00 H new ATOM 1327 N GLY A 87 -1.444 -13.693 -10.930 1.00 0.00 N ATOM 1328 CA GLY A 87 -2.558 -12.889 -10.462 1.00 0.00 C ATOM 1329 C GLY A 87 -2.189 -12.024 -9.272 1.00 0.00 C ATOM 1330 O GLY A 87 -1.015 -11.724 -9.055 1.00 0.00 O ATOM 0 H GLY A 87 -0.534 -13.424 -10.556 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.910 -12.253 -11.274 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.385 -13.544 -10.189 1.00 0.00 H new ATOM 1334 N TYR A 88 -3.193 -11.621 -8.502 1.00 0.00 N ATOM 1335 CA TYR A 88 -2.969 -10.782 -7.331 1.00 0.00 C ATOM 1336 C TYR A 88 -2.722 -11.634 -6.090 1.00 0.00 C ATOM 1337 O TYR A 88 -3.258 -12.734 -5.961 1.00 0.00 O ATOM 1338 CB TYR A 88 -4.169 -9.861 -7.100 1.00 0.00 C ATOM 1339 CG TYR A 88 -4.226 -8.691 -8.055 1.00 0.00 C ATOM 1340 CD1 TYR A 88 -3.520 -7.522 -7.797 1.00 0.00 C ATOM 1341 CD2 TYR A 88 -4.986 -8.754 -9.217 1.00 0.00 C ATOM 1342 CE1 TYR A 88 -3.570 -6.450 -8.667 1.00 0.00 C ATOM 1343 CE2 TYR A 88 -5.041 -7.687 -10.093 1.00 0.00 C ATOM 1344 CZ TYR A 88 -4.332 -6.537 -9.814 1.00 0.00 C ATOM 1345 OH TYR A 88 -4.383 -5.472 -10.683 1.00 0.00 O ATOM 0 H TYR A 88 -4.170 -11.862 -8.668 1.00 0.00 H new ATOM 0 HA TYR A 88 -2.083 -10.174 -7.515 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -5.086 -10.442 -7.195 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -4.136 -9.484 -6.078 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.922 -7.450 -6.901 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -5.543 -9.652 -9.439 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.016 -5.549 -8.451 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -5.636 -7.753 -10.992 1.00 0.00 H new ATOM 0 HH TYR A 88 -4.962 -5.696 -11.441 1.00 0.00 H new ATOM 1355 N GLY A 89 -1.905 -11.116 -5.178 1.00 0.00 N ATOM 1356 CA GLY A 89 -1.599 -11.841 -3.958 1.00 0.00 C ATOM 1357 C GLY A 89 -2.273 -11.238 -2.741 1.00 0.00 C ATOM 1358 O GLY A 89 -2.849 -10.152 -2.815 1.00 0.00 O ATOM 0 H GLY A 89 -1.449 -10.207 -5.262 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.914 -12.879 -4.067 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.520 -11.850 -3.805 1.00 0.00 H new ATOM 1362 N LYS A 90 -2.204 -11.944 -1.618 1.00 0.00 N ATOM 1363 CA LYS A 90 -2.812 -11.473 -0.379 1.00 0.00 C ATOM 1364 C LYS A 90 -2.155 -10.180 0.093 1.00 0.00 C ATOM 1365 O LYS A 90 -0.999 -9.905 -0.232 1.00 0.00 O ATOM 1366 CB LYS A 90 -2.696 -12.543 0.709 1.00 0.00 C ATOM 1367 CG LYS A 90 -3.339 -13.866 0.332 1.00 0.00 C ATOM 1368 CD LYS A 90 -2.923 -14.979 1.280 1.00 0.00 C ATOM 1369 CE LYS A 90 -1.523 -15.485 0.966 1.00 0.00 C ATOM 1370 NZ LYS A 90 -1.534 -16.515 -0.109 1.00 0.00 N ATOM 0 H LYS A 90 -1.733 -12.845 -1.540 1.00 0.00 H new ATOM 0 HA LYS A 90 -3.866 -11.274 -0.574 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.642 -12.711 0.931 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.159 -12.171 1.623 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -4.424 -13.761 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -3.058 -14.131 -0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -2.958 -14.615 2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.633 -15.803 1.209 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.894 -14.648 0.661 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.078 -15.906 1.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.562 -16.834 -0.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -2.113 -17.325 0.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.935 -16.106 -0.977 1.00 0.00 H new ATOM 1384 N PHE A 91 -2.897 -9.390 0.861 1.00 0.00 N ATOM 1385 CA PHE A 91 -2.386 -8.126 1.378 1.00 0.00 C ATOM 1386 C PHE A 91 -1.553 -8.350 2.636 1.00 0.00 C ATOM 1387 O PHE A 91 -1.820 -9.264 3.417 1.00 0.00 O ATOM 1388 CB PHE A 91 -3.542 -7.170 1.682 1.00 0.00 C ATOM 1389 CG PHE A 91 -3.963 -6.344 0.500 1.00 0.00 C ATOM 1390 CD1 PHE A 91 -3.104 -5.404 -0.046 1.00 0.00 C ATOM 1391 CD2 PHE A 91 -5.217 -6.508 -0.065 1.00 0.00 C ATOM 1392 CE1 PHE A 91 -3.490 -4.642 -1.133 1.00 0.00 C ATOM 1393 CE2 PHE A 91 -5.608 -5.749 -1.152 1.00 0.00 C ATOM 1394 CZ PHE A 91 -4.743 -4.816 -1.687 1.00 0.00 C ATOM 0 H PHE A 91 -3.855 -9.603 1.139 1.00 0.00 H new ATOM 0 HA PHE A 91 -1.747 -7.682 0.615 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.397 -7.747 2.035 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -3.249 -6.505 2.494 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.122 -5.265 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -5.897 -7.238 0.349 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -2.812 -3.911 -1.549 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -6.589 -5.886 -1.582 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.046 -4.223 -2.537 1.00 0.00 H new ATOM 1404 N SER A 92 -0.541 -7.510 2.826 1.00 0.00 N ATOM 1405 CA SER A 92 0.336 -7.618 3.987 1.00 0.00 C ATOM 1406 C SER A 92 -0.381 -7.159 5.253 1.00 0.00 C ATOM 1407 O SER A 92 -1.417 -6.499 5.189 1.00 0.00 O ATOM 1408 CB SER A 92 1.603 -6.787 3.775 1.00 0.00 C ATOM 1409 OG SER A 92 1.287 -5.423 3.553 1.00 0.00 O ATOM 0 H SER A 92 -0.308 -6.747 2.191 1.00 0.00 H new ATOM 0 HA SER A 92 0.613 -8.665 4.106 1.00 0.00 H new ATOM 0 HB2 SER A 92 2.250 -6.876 4.647 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.160 -7.178 2.923 1.00 0.00 H new ATOM 0 HG SER A 92 1.004 -5.300 2.623 1.00 0.00 H new ATOM 1415 N GLY A 93 0.180 -7.515 6.405 1.00 0.00 N ATOM 1416 CA GLY A 93 -0.418 -7.133 7.671 1.00 0.00 C ATOM 1417 C GLY A 93 -0.955 -5.716 7.653 1.00 0.00 C ATOM 1418 O GLY A 93 -0.188 -4.753 7.647 1.00 0.00 O ATOM 0 H GLY A 93 1.038 -8.061 6.484 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.228 -7.822 7.910 1.00 0.00 H new ATOM 0 HA3 GLY A 93 0.325 -7.227 8.463 1.00 0.00 H new ATOM 1422 N LYS A 94 -2.278 -5.586 7.644 1.00 0.00 N ATOM 1423 CA LYS A 94 -2.918 -4.276 7.626 1.00 0.00 C ATOM 1424 C LYS A 94 -2.203 -3.308 8.563 1.00 0.00 C ATOM 1425 O LYS A 94 -1.959 -3.622 9.728 1.00 0.00 O ATOM 1426 CB LYS A 94 -4.389 -4.399 8.030 1.00 0.00 C ATOM 1427 CG LYS A 94 -5.321 -4.657 6.859 1.00 0.00 C ATOM 1428 CD LYS A 94 -6.764 -4.798 7.315 1.00 0.00 C ATOM 1429 CE LYS A 94 -7.695 -5.071 6.144 1.00 0.00 C ATOM 1430 NZ LYS A 94 -8.920 -5.803 6.568 1.00 0.00 N ATOM 0 H LYS A 94 -2.928 -6.372 7.649 1.00 0.00 H new ATOM 0 HA LYS A 94 -2.857 -3.884 6.611 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -4.493 -5.209 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.697 -3.483 8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.243 -3.838 6.144 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.012 -5.564 6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.840 -5.610 8.039 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.076 -3.886 7.824 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -7.979 -4.127 5.678 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.167 -5.653 5.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -9.528 -5.970 5.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -8.651 -6.715 6.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.438 -5.236 7.270 1.00 0.00 H new ATOM 1444 N MET A 95 -1.869 -2.129 8.047 1.00 0.00 N ATOM 1445 CA MET A 95 -1.184 -1.115 8.839 1.00 0.00 C ATOM 1446 C MET A 95 -1.896 0.230 8.733 1.00 0.00 C ATOM 1447 O MET A 95 -2.664 0.465 7.799 1.00 0.00 O ATOM 1448 CB MET A 95 0.268 -0.974 8.380 1.00 0.00 C ATOM 1449 CG MET A 95 1.217 -0.547 9.488 1.00 0.00 C ATOM 1450 SD MET A 95 1.616 -1.894 10.619 1.00 0.00 S ATOM 1451 CE MET A 95 3.038 -2.613 9.801 1.00 0.00 C ATOM 0 H MET A 95 -2.062 -1.853 7.084 1.00 0.00 H new ATOM 0 HA MET A 95 -1.199 -1.433 9.882 1.00 0.00 H new ATOM 0 HB2 MET A 95 0.605 -1.926 7.971 1.00 0.00 H new ATOM 0 HB3 MET A 95 0.316 -0.245 7.571 1.00 0.00 H new ATOM 0 HG2 MET A 95 2.137 -0.165 9.046 1.00 0.00 H new ATOM 0 HG3 MET A 95 0.768 0.273 10.049 1.00 0.00 H new ATOM 0 HE1 MET A 95 3.701 -3.054 10.545 1.00 0.00 H new ATOM 0 HE2 MET A 95 2.707 -3.386 9.107 1.00 0.00 H new ATOM 0 HE3 MET A 95 3.573 -1.838 9.252 1.00 0.00 H new ATOM 1461 N CYS A 96 -1.637 1.109 9.695 1.00 0.00 N ATOM 1462 CA CYS A 96 -2.254 2.430 9.710 1.00 0.00 C ATOM 1463 C CYS A 96 -1.208 3.516 9.940 1.00 0.00 C ATOM 1464 O CYS A 96 -0.548 3.548 10.978 1.00 0.00 O ATOM 1465 CB CYS A 96 -3.328 2.502 10.797 1.00 0.00 C ATOM 1466 SG CYS A 96 -2.682 2.398 12.482 1.00 0.00 S ATOM 0 H CYS A 96 -1.004 0.930 10.475 1.00 0.00 H new ATOM 0 HA CYS A 96 -2.719 2.598 8.738 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -3.878 3.437 10.688 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -4.041 1.692 10.642 1.00 0.00 H new ATOM 0 HG CYS A 96 -1.429 2.743 12.488 1.00 0.00 H new ATOM 1472 N PHE A 97 -1.061 4.405 8.962 1.00 0.00 N ATOM 1473 CA PHE A 97 -0.093 5.491 9.056 1.00 0.00 C ATOM 1474 C PHE A 97 -0.793 6.847 9.020 1.00 0.00 C ATOM 1475 O PHE A 97 -1.589 7.122 8.124 1.00 0.00 O ATOM 1476 CB PHE A 97 0.922 5.398 7.915 1.00 0.00 C ATOM 1477 CG PHE A 97 1.647 4.084 7.863 1.00 0.00 C ATOM 1478 CD1 PHE A 97 2.788 3.877 8.622 1.00 0.00 C ATOM 1479 CD2 PHE A 97 1.189 3.056 7.055 1.00 0.00 C ATOM 1480 CE1 PHE A 97 3.457 2.668 8.578 1.00 0.00 C ATOM 1481 CE2 PHE A 97 1.854 1.846 7.007 1.00 0.00 C ATOM 1482 CZ PHE A 97 2.990 1.652 7.768 1.00 0.00 C ATOM 0 H PHE A 97 -1.600 4.394 8.096 1.00 0.00 H new ATOM 0 HA PHE A 97 0.431 5.397 10.007 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.407 5.557 6.968 1.00 0.00 H new ATOM 0 HB3 PHE A 97 1.651 6.202 8.021 1.00 0.00 H new ATOM 0 HD1 PHE A 97 3.159 4.669 9.255 1.00 0.00 H new ATOM 0 HD2 PHE A 97 0.302 3.202 6.456 1.00 0.00 H new ATOM 0 HE1 PHE A 97 4.344 2.518 9.176 1.00 0.00 H new ATOM 0 HE2 PHE A 97 1.486 1.052 6.374 1.00 0.00 H new ATOM 0 HZ PHE A 97 3.512 0.707 7.730 1.00 0.00 H new ATOM 1492 N GLN A 98 -0.488 7.689 10.003 1.00 0.00 N ATOM 1493 CA GLN A 98 -1.088 9.016 10.084 1.00 0.00 C ATOM 1494 C GLN A 98 -0.127 10.081 9.566 1.00 0.00 C ATOM 1495 O GLN A 98 1.086 9.979 9.748 1.00 0.00 O ATOM 1496 CB GLN A 98 -1.486 9.330 11.527 1.00 0.00 C ATOM 1497 CG GLN A 98 -2.293 10.611 11.671 1.00 0.00 C ATOM 1498 CD GLN A 98 -2.946 10.740 13.033 1.00 0.00 C ATOM 1499 OE1 GLN A 98 -2.265 10.837 14.054 1.00 0.00 O ATOM 1500 NE2 GLN A 98 -4.274 10.742 13.055 1.00 0.00 N ATOM 0 H GLN A 98 0.170 7.476 10.753 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.980 9.023 9.458 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -2.067 8.498 11.924 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.585 9.408 12.135 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -1.640 11.468 11.503 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -3.062 10.640 10.899 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -4.799 10.659 12.184 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -4.769 10.826 13.943 1.00 0.00 H new ATOM 1509 N THR A 99 -0.678 11.103 8.919 1.00 0.00 N ATOM 1510 CA THR A 99 0.130 12.186 8.372 1.00 0.00 C ATOM 1511 C THR A 99 0.632 13.108 9.477 1.00 0.00 C ATOM 1512 O THR A 99 0.409 12.854 10.662 1.00 0.00 O ATOM 1513 CB THR A 99 -0.665 13.017 7.347 1.00 0.00 C ATOM 1514 OG1 THR A 99 -1.748 13.691 7.997 1.00 0.00 O ATOM 1515 CG2 THR A 99 -1.206 12.131 6.235 1.00 0.00 C ATOM 0 H THR A 99 -1.681 11.203 8.761 1.00 0.00 H new ATOM 0 HA THR A 99 0.982 11.725 7.872 1.00 0.00 H new ATOM 0 HB THR A 99 0.009 13.753 6.908 1.00 0.00 H new ATOM 0 HG1 THR A 99 -2.475 13.835 7.356 1.00 0.00 H new ATOM 0 HG21 THR A 99 -1.764 12.740 5.523 1.00 0.00 H new ATOM 0 HG22 THR A 99 -0.377 11.643 5.723 1.00 0.00 H new ATOM 0 HG23 THR A 99 -1.866 11.375 6.661 1.00 0.00 H new ATOM 1523 N LEU A 100 1.310 14.181 9.083 1.00 0.00 N ATOM 1524 CA LEU A 100 1.844 15.143 10.041 1.00 0.00 C ATOM 1525 C LEU A 100 0.761 16.115 10.497 1.00 0.00 C ATOM 1526 O LEU A 100 -0.033 16.600 9.691 1.00 0.00 O ATOM 1527 CB LEU A 100 3.011 15.914 9.423 1.00 0.00 C ATOM 1528 CG LEU A 100 4.183 15.070 8.921 1.00 0.00 C ATOM 1529 CD1 LEU A 100 5.172 15.932 8.153 1.00 0.00 C ATOM 1530 CD2 LEU A 100 4.873 14.371 10.084 1.00 0.00 C ATOM 0 H LEU A 100 1.503 14.406 8.107 1.00 0.00 H new ATOM 0 HA LEU A 100 2.202 14.592 10.911 1.00 0.00 H new ATOM 0 HB2 LEU A 100 2.630 16.503 8.589 1.00 0.00 H new ATOM 0 HB3 LEU A 100 3.388 16.618 10.164 1.00 0.00 H new ATOM 0 HG LEU A 100 3.794 14.309 8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 100 5.999 15.314 7.804 1.00 0.00 H new ATOM 0 HD12 LEU A 100 4.672 16.386 7.297 1.00 0.00 H new ATOM 0 HD13 LEU A 100 5.556 16.716 8.806 1.00 0.00 H new ATOM 0 HD21 LEU A 100 5.705 13.775 9.708 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.248 15.116 10.785 1.00 0.00 H new ATOM 0 HD23 LEU A 100 4.161 13.721 10.592 1.00 0.00 H new ATOM 1542 N THR A 101 0.736 16.399 11.796 1.00 0.00 N ATOM 1543 CA THR A 101 -0.248 17.315 12.359 1.00 0.00 C ATOM 1544 C THR A 101 0.362 18.689 12.613 1.00 0.00 C ATOM 1545 O THR A 101 1.133 18.872 13.555 1.00 0.00 O ATOM 1546 CB THR A 101 -0.829 16.772 13.679 1.00 0.00 C ATOM 1547 OG1 THR A 101 0.127 16.923 14.734 1.00 0.00 O ATOM 1548 CG2 THR A 101 -1.211 15.306 13.540 1.00 0.00 C ATOM 0 H THR A 101 1.386 16.008 12.477 1.00 0.00 H new ATOM 0 HA THR A 101 -1.050 17.407 11.627 1.00 0.00 H new ATOM 0 HB THR A 101 -1.726 17.344 13.918 1.00 0.00 H new ATOM 0 HG1 THR A 101 0.900 17.428 14.405 1.00 0.00 H new ATOM 0 HG21 THR A 101 -1.619 14.945 14.484 1.00 0.00 H new ATOM 0 HG22 THR A 101 -1.961 15.198 12.756 1.00 0.00 H new ATOM 0 HG23 THR A 101 -0.328 14.723 13.280 1.00 0.00 H new ATOM 1556 N ASP A 102 0.011 19.651 11.767 1.00 0.00 N ATOM 1557 CA ASP A 102 0.523 21.010 11.900 1.00 0.00 C ATOM 1558 C ASP A 102 0.344 21.520 13.327 1.00 0.00 C ATOM 1559 O ASP A 102 1.316 21.692 14.062 1.00 0.00 O ATOM 1560 CB ASP A 102 -0.187 21.944 10.919 1.00 0.00 C ATOM 1561 CG ASP A 102 0.417 23.334 10.903 1.00 0.00 C ATOM 1562 OD1 ASP A 102 0.804 23.826 11.983 1.00 0.00 O ATOM 1563 OD2 ASP A 102 0.503 23.930 9.809 1.00 0.00 O ATOM 0 H ASP A 102 -0.626 19.515 10.982 1.00 0.00 H new ATOM 0 HA ASP A 102 1.588 20.995 11.669 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -0.138 21.518 9.917 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -1.242 22.012 11.186 1.00 0.00 H new