USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 700 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 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 91 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.121) USER MOD Set 2.1: A 53 TYR OH : rot 180:sc= -1.1 USER MOD Set 2.2: A 71 LYS NZ :NH3+ 147:sc= -0.355 (180deg=-1.41!) USER MOD Set 3.1: A 52 ASN : amide:sc= -1.24 K(o=-3.8,f=-13!) USER MOD Set 3.2: A 68 LYS NZ :NH3+ -168:sc= -1.38! (180deg=-2.87!) USER MOD Set 3.3: A 83 THR OG1 : rot 180:sc= -1.23! USER MOD Set 4.1: A 31 THR OG1 : rot 148:sc=-0.00464 USER MOD Set 4.2: A 62 ASN : amide:sc= -4! C(o=-4!,f=-3.7!) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -122:sc= -1.35! USER MOD Single : A 17 GLN :FLIP amide:sc= -1.12 F(o=-2.9!,f=-1.1) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.172 X(o=-0.17,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN :FLIP amide:sc= -3.77! C(o=-4.6!,f=-3.8!) USER MOD Single : A 34 THR OG1 : rot -54:sc= 1.11 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN :FLIP amide:sc= -7.67! C(o=-9.2!,f=-7.7!) USER MOD Single : A 43 TYR OH : rot 180:sc= -1.36 USER MOD Single : A 44 LYS NZ :NH3+ -129:sc= -0.688 (180deg=-1.98!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -1.1 K(o=-1.1,f=-2.3!) USER MOD Single : A 51 THR OG1 : rot 105:sc= 0.423! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0596) USER MOD Single : A 64 TYR OH : rot -120:sc= -1.12 USER MOD Single : A 66 HIS : no HD1:sc= -8.77! C(o=-8.8!,f=-12!) USER MOD Single : A 72 SER OG : rot 39:sc= 0.317! USER MOD Single : A 76 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.0044) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.253 F(o=-1.9,f=-0.25) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.228 X(o=-0.23,f=-0.026) USER MOD Single : A 90 ASN :FLIP amide:sc= -4.63! C(o=-6.3!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 7 -15.391 -4.909 -9.021 1.00 0.00 N ATOM 87 CA SER A 7 -16.349 -5.914 -8.478 1.00 0.00 C ATOM 88 C SER A 7 -15.884 -6.373 -7.093 1.00 0.00 C ATOM 89 O SER A 7 -16.249 -5.799 -6.087 1.00 0.00 O ATOM 90 CB SER A 7 -16.419 -7.118 -9.417 1.00 0.00 C ATOM 91 OG SER A 7 -17.189 -6.778 -10.563 1.00 0.00 O ATOM 0 HA SER A 7 -17.337 -5.461 -8.397 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.415 -7.419 -9.716 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.867 -7.968 -8.903 1.00 0.00 H new ATOM 0 HG SER A 7 -17.234 -7.548 -11.167 1.00 0.00 H new ATOM 97 N GLU A 8 -15.088 -7.411 -7.025 1.00 0.00 N ATOM 98 CA GLU A 8 -14.622 -7.900 -5.699 1.00 0.00 C ATOM 99 C GLU A 8 -13.308 -7.231 -5.311 1.00 0.00 C ATOM 100 O GLU A 8 -12.248 -7.791 -5.479 1.00 0.00 O ATOM 101 CB GLU A 8 -14.432 -9.421 -5.734 1.00 0.00 C ATOM 102 CG GLU A 8 -15.441 -10.040 -6.703 1.00 0.00 C ATOM 103 CD GLU A 8 -15.391 -11.564 -6.583 1.00 0.00 C ATOM 104 OE1 GLU A 8 -15.935 -12.081 -5.622 1.00 0.00 O ATOM 105 OE2 GLU A 8 -14.810 -12.190 -7.455 1.00 0.00 O ATOM 0 H GLU A 8 -14.744 -7.936 -7.829 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.379 -7.647 -4.957 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.416 -9.664 -6.046 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.567 -9.838 -4.736 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.445 -9.679 -6.480 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -15.214 -9.737 -7.725 1.00 0.00 H new ATOM 112 N ALA A 9 -13.372 -6.040 -4.779 1.00 0.00 N ATOM 113 CA ALA A 9 -12.123 -5.348 -4.369 1.00 0.00 C ATOM 114 C ALA A 9 -12.456 -3.970 -3.794 1.00 0.00 C ATOM 115 O ALA A 9 -13.514 -3.425 -4.034 1.00 0.00 O ATOM 116 CB ALA A 9 -11.216 -5.189 -5.585 1.00 0.00 C ATOM 0 H ALA A 9 -14.234 -5.520 -4.612 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.615 -5.938 -3.606 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.298 -4.682 -5.290 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.974 -6.172 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.728 -4.600 -6.346 1.00 0.00 H new ATOM 122 N LYS A 10 -11.556 -3.404 -3.036 1.00 0.00 N ATOM 123 CA LYS A 10 -11.817 -2.061 -2.447 1.00 0.00 C ATOM 124 C LYS A 10 -10.609 -1.148 -2.694 1.00 0.00 C ATOM 125 O LYS A 10 -9.548 -1.614 -3.063 1.00 0.00 O ATOM 126 CB LYS A 10 -12.065 -2.203 -0.944 1.00 0.00 C ATOM 127 CG LYS A 10 -13.535 -1.909 -0.645 1.00 0.00 C ATOM 128 CD LYS A 10 -14.255 -3.206 -0.272 1.00 0.00 C ATOM 129 CE LYS A 10 -15.564 -2.870 0.448 1.00 0.00 C ATOM 130 NZ LYS A 10 -16.373 -4.111 0.612 1.00 0.00 N ATOM 0 H LYS A 10 -10.652 -3.814 -2.800 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.698 -1.622 -2.916 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.809 -3.210 -0.615 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.425 -1.515 -0.391 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -13.613 -1.191 0.171 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -14.009 -1.456 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.460 -3.792 -1.168 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -13.620 -3.816 0.370 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -15.353 -2.429 1.422 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -16.125 -2.130 -0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.262 -3.884 1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.585 -4.513 -0.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.837 -4.803 1.173 1.00 0.00 H new ATOM 144 N PRO A 11 -10.813 0.130 -2.490 1.00 0.00 N ATOM 145 CA PRO A 11 -9.766 1.150 -2.691 1.00 0.00 C ATOM 146 C PRO A 11 -8.786 1.175 -1.511 1.00 0.00 C ATOM 147 O PRO A 11 -9.127 1.595 -0.423 1.00 0.00 O ATOM 148 CB PRO A 11 -10.552 2.460 -2.769 1.00 0.00 C ATOM 149 CG PRO A 11 -11.900 2.203 -2.053 1.00 0.00 C ATOM 150 CD PRO A 11 -12.110 0.677 -2.044 1.00 0.00 C ATOM 0 HA PRO A 11 -9.160 0.962 -3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.005 3.271 -2.288 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.713 2.755 -3.806 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.880 2.597 -1.037 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.717 2.703 -2.573 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.373 0.317 -1.049 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -12.918 0.382 -2.714 1.00 0.00 H new ATOM 158 N ALA A 12 -7.573 0.738 -1.738 1.00 0.00 N ATOM 159 CA ALA A 12 -6.525 0.723 -0.667 1.00 0.00 C ATOM 160 C ALA A 12 -7.144 0.558 0.726 1.00 0.00 C ATOM 161 O ALA A 12 -7.604 1.512 1.322 1.00 0.00 O ATOM 162 CB ALA A 12 -5.745 2.029 -0.688 1.00 0.00 C ATOM 0 H ALA A 12 -7.257 0.383 -2.640 1.00 0.00 H new ATOM 0 HA ALA A 12 -5.868 -0.123 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.985 2.011 0.093 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.265 2.150 -1.659 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.426 2.862 -0.513 1.00 0.00 H new ATOM 168 N THR A 13 -7.134 -0.625 1.269 1.00 0.00 N ATOM 169 CA THR A 13 -7.698 -0.810 2.638 1.00 0.00 C ATOM 170 C THR A 13 -6.686 -0.267 3.648 1.00 0.00 C ATOM 171 O THR A 13 -5.563 0.026 3.291 1.00 0.00 O ATOM 172 CB THR A 13 -7.937 -2.299 2.900 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.515 -3.057 1.777 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.426 -2.539 3.155 1.00 0.00 C ATOM 0 H THR A 13 -6.763 -1.468 0.830 1.00 0.00 H new ATOM 0 HA THR A 13 -8.646 -0.280 2.730 1.00 0.00 H new ATOM 0 HB THR A 13 -7.365 -2.609 3.775 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.269 -3.581 1.434 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.597 -3.599 3.342 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.744 -1.962 4.023 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.000 -2.227 2.282 1.00 0.00 H new ATOM 182 N PRO A 14 -7.094 -0.176 4.885 1.00 0.00 N ATOM 183 CA PRO A 14 -6.209 0.293 5.962 1.00 0.00 C ATOM 184 C PRO A 14 -5.213 -0.825 6.271 1.00 0.00 C ATOM 185 O PRO A 14 -4.281 -0.671 7.036 1.00 0.00 O ATOM 186 CB PRO A 14 -7.166 0.556 7.129 1.00 0.00 C ATOM 187 CG PRO A 14 -8.433 -0.284 6.846 1.00 0.00 C ATOM 188 CD PRO A 14 -8.451 -0.549 5.327 1.00 0.00 C ATOM 0 HA PRO A 14 -5.626 1.184 5.727 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.712 0.268 8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.410 1.616 7.201 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.410 -1.221 7.403 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.331 0.250 7.157 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.670 -1.594 5.106 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.213 0.049 4.826 1.00 0.00 H new ATOM 196 N GLU A 15 -5.422 -1.953 5.647 1.00 0.00 N ATOM 197 CA GLU A 15 -4.540 -3.126 5.825 1.00 0.00 C ATOM 198 C GLU A 15 -3.620 -3.217 4.612 1.00 0.00 C ATOM 199 O GLU A 15 -2.412 -3.153 4.716 1.00 0.00 O ATOM 200 CB GLU A 15 -5.434 -4.361 5.868 1.00 0.00 C ATOM 201 CG GLU A 15 -4.602 -5.624 5.619 1.00 0.00 C ATOM 202 CD GLU A 15 -5.494 -6.860 5.734 1.00 0.00 C ATOM 203 OE1 GLU A 15 -6.704 -6.696 5.735 1.00 0.00 O ATOM 204 OE2 GLU A 15 -4.955 -7.951 5.821 1.00 0.00 O ATOM 0 H GLU A 15 -6.196 -2.107 5.001 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.946 -3.048 6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -5.929 -4.428 6.837 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.218 -4.278 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -4.148 -5.582 4.629 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.788 -5.683 6.341 1.00 0.00 H new ATOM 211 N ILE A 16 -4.205 -3.368 3.458 1.00 0.00 N ATOM 212 CA ILE A 16 -3.403 -3.462 2.207 1.00 0.00 C ATOM 213 C ILE A 16 -2.460 -2.274 2.111 1.00 0.00 C ATOM 214 O ILE A 16 -1.299 -2.414 1.795 1.00 0.00 O ATOM 215 CB ILE A 16 -4.339 -3.450 0.999 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.254 -4.673 1.064 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.509 -3.513 -0.279 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.396 -5.941 1.072 1.00 0.00 C ATOM 0 H ILE A 16 -5.215 -3.431 3.326 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.827 -4.387 2.222 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.938 -2.539 1.004 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.873 -4.632 1.960 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.931 -4.682 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.172 -3.505 -1.144 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.844 -2.651 -0.324 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.917 -4.429 -0.284 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.042 -6.817 1.118 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.796 -5.980 0.163 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.738 -5.929 1.941 1.00 0.00 H new ATOM 230 N GLN A 17 -2.950 -1.102 2.370 1.00 0.00 N ATOM 231 CA GLN A 17 -2.081 0.093 2.278 1.00 0.00 C ATOM 232 C GLN A 17 -0.860 -0.086 3.185 1.00 0.00 C ATOM 233 O GLN A 17 0.218 0.386 2.885 1.00 0.00 O ATOM 234 CB GLN A 17 -2.879 1.328 2.689 1.00 0.00 C ATOM 235 CG GLN A 17 -2.998 1.409 4.213 1.00 0.00 C ATOM 236 CD GLN A 17 -3.554 2.780 4.600 1.00 0.00 C ATOM 237 OE1 GLN A 17 -4.210 3.478 3.712 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 -3.389 3.221 5.719 1.00 0.00 N flip ATOM 0 H GLN A 17 -3.916 -0.919 2.642 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.734 0.221 1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.392 2.226 2.308 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -3.873 1.291 2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -3.654 0.620 4.581 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.023 1.255 4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.877 2.675 6.412 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.763 4.137 5.966 1.00 0.00 H new ATOM 247 N GLU A 18 -1.007 -0.768 4.288 1.00 0.00 N ATOM 248 CA GLU A 18 0.167 -0.970 5.180 1.00 0.00 C ATOM 249 C GLU A 18 1.288 -1.631 4.375 1.00 0.00 C ATOM 250 O GLU A 18 2.449 -1.315 4.535 1.00 0.00 O ATOM 251 CB GLU A 18 -0.224 -1.868 6.356 1.00 0.00 C ATOM 252 CG GLU A 18 0.805 -1.717 7.479 1.00 0.00 C ATOM 253 CD GLU A 18 0.153 -2.059 8.820 1.00 0.00 C ATOM 254 OE1 GLU A 18 -1.048 -1.873 8.937 1.00 0.00 O ATOM 255 OE2 GLU A 18 0.864 -2.502 9.707 1.00 0.00 O ATOM 0 H GLU A 18 -1.879 -1.189 4.607 1.00 0.00 H new ATOM 0 HA GLU A 18 0.506 -0.010 5.568 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.216 -1.599 6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.275 -2.908 6.032 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.655 -2.375 7.298 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.189 -0.697 7.499 1.00 0.00 H new ATOM 262 N ILE A 19 0.945 -2.538 3.498 1.00 0.00 N ATOM 263 CA ILE A 19 1.987 -3.206 2.668 1.00 0.00 C ATOM 264 C ILE A 19 2.652 -2.155 1.782 1.00 0.00 C ATOM 265 O ILE A 19 3.839 -2.188 1.526 1.00 0.00 O ATOM 266 CB ILE A 19 1.327 -4.284 1.787 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.353 -5.381 1.487 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.837 -3.677 0.463 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.515 -4.788 0.686 1.00 0.00 C ATOM 0 H ILE A 19 -0.012 -2.844 3.322 1.00 0.00 H new ATOM 0 HA ILE A 19 2.733 -3.677 3.309 1.00 0.00 H new ATOM 0 HB ILE A 19 0.472 -4.699 2.320 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.722 -5.813 2.417 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.884 -6.188 0.924 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.374 -4.455 -0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.106 -2.895 0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.682 -3.250 -0.077 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.245 -5.568 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.139 -4.377 -0.251 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.989 -3.996 1.265 1.00 0.00 H new ATOM 281 N VAL A 20 1.873 -1.228 1.310 1.00 0.00 N ATOM 282 CA VAL A 20 2.411 -0.160 0.428 1.00 0.00 C ATOM 283 C VAL A 20 3.519 0.592 1.167 1.00 0.00 C ATOM 284 O VAL A 20 4.334 1.251 0.565 1.00 0.00 O ATOM 285 CB VAL A 20 1.253 0.773 0.053 1.00 0.00 C ATOM 286 CG1 VAL A 20 1.757 2.189 -0.268 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.539 0.193 -1.166 1.00 0.00 C ATOM 0 H VAL A 20 0.873 -1.163 1.500 1.00 0.00 H new ATOM 0 HA VAL A 20 2.841 -0.577 -0.483 1.00 0.00 H new ATOM 0 HB VAL A 20 0.570 0.847 0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.912 2.825 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.265 2.601 0.604 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.452 2.146 -1.106 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.289 0.844 -1.447 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.240 0.118 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.155 -0.798 -0.925 1.00 0.00 H new ATOM 297 N ASP A 21 3.563 0.479 2.466 1.00 0.00 N ATOM 298 CA ASP A 21 4.633 1.166 3.245 1.00 0.00 C ATOM 299 C ASP A 21 5.715 0.147 3.617 1.00 0.00 C ATOM 300 O ASP A 21 6.836 0.500 3.924 1.00 0.00 O ATOM 301 CB ASP A 21 4.034 1.766 4.519 1.00 0.00 C ATOM 302 CG ASP A 21 4.940 2.885 5.029 1.00 0.00 C ATOM 303 OD1 ASP A 21 5.648 3.463 4.221 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.912 3.147 6.222 1.00 0.00 O ATOM 0 H ASP A 21 2.902 -0.061 3.024 1.00 0.00 H new ATOM 0 HA ASP A 21 5.071 1.963 2.644 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.036 2.155 4.316 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.926 0.995 5.281 1.00 0.00 H new ATOM 309 N LYS A 22 5.382 -1.115 3.591 1.00 0.00 N ATOM 310 CA LYS A 22 6.382 -2.164 3.939 1.00 0.00 C ATOM 311 C LYS A 22 7.336 -2.373 2.762 1.00 0.00 C ATOM 312 O LYS A 22 8.472 -1.940 2.789 1.00 0.00 O ATOM 313 CB LYS A 22 5.658 -3.476 4.244 1.00 0.00 C ATOM 314 CG LYS A 22 6.103 -3.999 5.610 1.00 0.00 C ATOM 315 CD LYS A 22 5.834 -2.935 6.675 1.00 0.00 C ATOM 316 CE LYS A 22 5.642 -3.611 8.034 1.00 0.00 C ATOM 317 NZ LYS A 22 4.614 -2.868 8.816 1.00 0.00 N ATOM 0 H LYS A 22 4.457 -1.466 3.343 1.00 0.00 H new ATOM 0 HA LYS A 22 6.949 -1.847 4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.579 -3.319 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.878 -4.213 3.471 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.566 -4.916 5.853 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.164 -4.247 5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.666 -2.232 6.721 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.945 -2.360 6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.332 -4.647 7.897 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.586 -3.631 8.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.482 -3.326 9.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.928 -1.887 8.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.713 -2.872 8.296 1.00 0.00 H new ATOM 331 N VAL A 23 6.887 -3.036 1.731 1.00 0.00 N ATOM 332 CA VAL A 23 7.764 -3.269 0.555 1.00 0.00 C ATOM 333 C VAL A 23 7.784 -2.019 -0.321 1.00 0.00 C ATOM 334 O VAL A 23 8.542 -1.925 -1.266 1.00 0.00 O ATOM 335 CB VAL A 23 7.220 -4.440 -0.252 1.00 0.00 C ATOM 336 CG1 VAL A 23 8.213 -4.797 -1.351 1.00 0.00 C ATOM 337 CG2 VAL A 23 7.024 -5.641 0.669 1.00 0.00 C ATOM 0 H VAL A 23 5.948 -3.426 1.655 1.00 0.00 H new ATOM 0 HA VAL A 23 8.776 -3.493 0.893 1.00 0.00 H new ATOM 0 HB VAL A 23 6.264 -4.166 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.827 -5.635 -1.931 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.356 -3.937 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.167 -5.074 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.635 -6.481 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.980 -5.918 1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.318 -5.383 1.458 1.00 0.00 H new ATOM 347 N LYS A 24 6.959 -1.056 -0.013 1.00 0.00 N ATOM 348 CA LYS A 24 6.938 0.185 -0.830 1.00 0.00 C ATOM 349 C LYS A 24 7.079 1.411 0.087 1.00 0.00 C ATOM 350 O LYS A 24 6.260 2.306 0.047 1.00 0.00 O ATOM 351 CB LYS A 24 5.611 0.268 -1.589 1.00 0.00 C ATOM 352 CG LYS A 24 5.741 -0.464 -2.927 1.00 0.00 C ATOM 353 CD LYS A 24 5.923 -1.961 -2.677 1.00 0.00 C ATOM 354 CE LYS A 24 5.259 -2.752 -3.807 1.00 0.00 C ATOM 355 NZ LYS A 24 4.733 -4.040 -3.273 1.00 0.00 N ATOM 0 H LYS A 24 6.302 -1.077 0.767 1.00 0.00 H new ATOM 0 HA LYS A 24 7.766 0.167 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.812 -0.176 -0.995 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.341 1.310 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 24 4.853 -0.292 -3.535 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.591 -0.072 -3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 24 6.984 -2.205 -2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 24 5.483 -2.237 -1.719 1.00 0.00 H new ATOM 0 HE2 LYS A 24 4.448 -2.170 -4.244 1.00 0.00 H new ATOM 0 HE3 LYS A 24 5.979 -2.943 -4.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.282 -4.576 -4.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.516 -4.597 -2.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.033 -3.847 -2.529 1.00 0.00 H new ATOM 369 N PRO A 25 8.116 1.420 0.889 1.00 0.00 N ATOM 370 CA PRO A 25 8.374 2.524 1.830 1.00 0.00 C ATOM 371 C PRO A 25 8.861 3.769 1.085 1.00 0.00 C ATOM 372 O PRO A 25 9.132 4.795 1.679 1.00 0.00 O ATOM 373 CB PRO A 25 9.457 1.965 2.756 1.00 0.00 C ATOM 374 CG PRO A 25 10.148 0.826 1.973 1.00 0.00 C ATOM 375 CD PRO A 25 9.132 0.348 0.919 1.00 0.00 C ATOM 0 HA PRO A 25 7.484 2.839 2.375 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.173 2.740 3.029 1.00 0.00 H new ATOM 0 HB3 PRO A 25 9.022 1.592 3.683 1.00 0.00 H new ATOM 0 HG2 PRO A 25 11.063 1.180 1.498 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.429 0.011 2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.601 0.215 -0.056 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.693 -0.611 1.194 1.00 0.00 H new ATOM 383 N GLN A 26 8.938 3.695 -0.212 1.00 0.00 N ATOM 384 CA GLN A 26 9.363 4.872 -1.007 1.00 0.00 C ATOM 385 C GLN A 26 8.224 5.171 -1.965 1.00 0.00 C ATOM 386 O GLN A 26 7.766 6.281 -2.101 1.00 0.00 O ATOM 387 CB GLN A 26 10.629 4.536 -1.798 1.00 0.00 C ATOM 388 CG GLN A 26 11.834 4.542 -0.858 1.00 0.00 C ATOM 389 CD GLN A 26 12.732 5.735 -1.191 1.00 0.00 C ATOM 390 OE1 GLN A 26 13.825 5.565 -1.693 1.00 0.00 O ATOM 391 NE2 GLN A 26 12.314 6.944 -0.933 1.00 0.00 N ATOM 0 H GLN A 26 8.722 2.861 -0.758 1.00 0.00 H new ATOM 0 HA GLN A 26 9.582 5.726 -0.367 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.527 3.559 -2.270 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.774 5.262 -2.598 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.501 4.602 0.178 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.393 3.612 -0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.396 7.087 -0.511 1.00 0.00 H new ATOM 0 HE22 GLN A 26 12.905 7.746 -1.153 1.00 0.00 H new ATOM 400 N LEU A 27 7.737 4.154 -2.593 1.00 0.00 N ATOM 401 CA LEU A 27 6.599 4.313 -3.521 1.00 0.00 C ATOM 402 C LEU A 27 5.412 4.901 -2.743 1.00 0.00 C ATOM 403 O LEU A 27 4.459 5.399 -3.310 1.00 0.00 O ATOM 404 CB LEU A 27 6.233 2.924 -4.041 1.00 0.00 C ATOM 405 CG LEU A 27 7.297 2.394 -5.026 1.00 0.00 C ATOM 406 CD1 LEU A 27 6.858 2.691 -6.462 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.670 3.038 -4.787 1.00 0.00 C ATOM 0 H LEU A 27 8.085 3.200 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 27 6.851 4.975 -4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.135 2.234 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.263 2.963 -4.537 1.00 0.00 H new ATOM 0 HG LEU A 27 7.389 1.320 -4.864 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.610 2.317 -7.157 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.905 2.201 -6.660 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.747 3.767 -6.593 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.389 2.637 -5.501 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.593 4.118 -4.917 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.004 2.817 -3.773 1.00 0.00 H new ATOM 419 N GLU A 28 5.468 4.809 -1.439 1.00 0.00 N ATOM 420 CA GLU A 28 4.353 5.316 -0.578 1.00 0.00 C ATOM 421 C GLU A 28 4.585 6.760 -0.103 1.00 0.00 C ATOM 422 O GLU A 28 3.660 7.417 0.329 1.00 0.00 O ATOM 423 CB GLU A 28 4.223 4.413 0.648 1.00 0.00 C ATOM 424 CG GLU A 28 3.004 4.841 1.466 1.00 0.00 C ATOM 425 CD GLU A 28 3.455 5.705 2.645 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.385 6.474 2.469 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.862 5.583 3.705 1.00 0.00 O ATOM 0 H GLU A 28 6.249 4.399 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 28 3.444 5.305 -1.179 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.120 3.373 0.338 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.124 4.476 1.257 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.310 5.399 0.838 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.470 3.963 1.829 1.00 0.00 H new ATOM 434 N GLU A 29 5.788 7.269 -0.152 1.00 0.00 N ATOM 435 CA GLU A 29 6.003 8.665 0.331 1.00 0.00 C ATOM 436 C GLU A 29 7.038 9.309 -0.566 1.00 0.00 C ATOM 437 O GLU A 29 8.070 9.779 -0.130 1.00 0.00 O ATOM 438 CB GLU A 29 6.506 8.645 1.778 1.00 0.00 C ATOM 439 CG GLU A 29 7.898 8.007 1.831 1.00 0.00 C ATOM 440 CD GLU A 29 8.155 7.454 3.234 1.00 0.00 C ATOM 441 OE1 GLU A 29 7.439 6.548 3.634 1.00 0.00 O ATOM 442 OE2 GLU A 29 9.062 7.944 3.886 1.00 0.00 O ATOM 0 H GLU A 29 6.618 6.789 -0.499 1.00 0.00 H new ATOM 0 HA GLU A 29 5.070 9.227 0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.545 9.660 2.174 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.814 8.084 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.971 7.207 1.095 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.658 8.746 1.575 1.00 0.00 H new ATOM 449 N LYS A 30 6.779 9.285 -1.830 1.00 0.00 N ATOM 450 CA LYS A 30 7.738 9.834 -2.801 1.00 0.00 C ATOM 451 C LYS A 30 6.967 10.484 -3.925 1.00 0.00 C ATOM 452 O LYS A 30 7.108 11.658 -4.203 1.00 0.00 O ATOM 453 CB LYS A 30 8.521 8.649 -3.325 1.00 0.00 C ATOM 454 CG LYS A 30 9.873 9.109 -3.873 1.00 0.00 C ATOM 455 CD LYS A 30 10.805 7.902 -4.009 1.00 0.00 C ATOM 456 CE LYS A 30 10.246 6.941 -5.059 1.00 0.00 C ATOM 457 NZ LYS A 30 11.373 6.289 -5.786 1.00 0.00 N ATOM 0 H LYS A 30 5.927 8.901 -2.238 1.00 0.00 H new ATOM 0 HA LYS A 30 8.400 10.579 -2.359 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.672 7.922 -2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 30 7.954 8.148 -4.109 1.00 0.00 H new ATOM 0 HG2 LYS A 30 9.740 9.591 -4.842 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.315 9.850 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.804 8.231 -4.297 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.901 7.393 -3.050 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.622 6.186 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.611 7.482 -5.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.993 5.635 -6.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.951 7.016 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.962 5.760 -5.111 1.00 0.00 H new ATOM 471 N THR A 31 6.125 9.725 -4.550 1.00 0.00 N ATOM 472 CA THR A 31 5.297 10.279 -5.637 1.00 0.00 C ATOM 473 C THR A 31 4.730 11.608 -5.150 1.00 0.00 C ATOM 474 O THR A 31 4.475 12.514 -5.919 1.00 0.00 O ATOM 475 CB THR A 31 4.185 9.272 -5.936 1.00 0.00 C ATOM 476 OG1 THR A 31 3.785 9.389 -7.293 1.00 0.00 O ATOM 477 CG2 THR A 31 2.976 9.505 -5.021 1.00 0.00 C ATOM 0 H THR A 31 5.975 8.736 -4.351 1.00 0.00 H new ATOM 0 HA THR A 31 5.867 10.451 -6.550 1.00 0.00 H new ATOM 0 HB THR A 31 4.570 8.269 -5.752 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.498 8.513 -7.626 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.199 8.777 -5.253 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.280 9.392 -3.980 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.589 10.512 -5.179 1.00 0.00 H new ATOM 485 N ASN A 32 4.558 11.721 -3.856 1.00 0.00 N ATOM 486 CA ASN A 32 4.035 12.975 -3.262 1.00 0.00 C ATOM 487 C ASN A 32 2.960 13.561 -4.181 1.00 0.00 C ATOM 488 O ASN A 32 2.888 14.752 -4.401 1.00 0.00 O ATOM 489 CB ASN A 32 5.209 13.953 -3.076 1.00 0.00 C ATOM 490 CG ASN A 32 5.442 14.766 -4.355 1.00 0.00 C ATOM 491 OD1 ASN A 32 6.096 14.231 -5.349 1.00 0.00 O flip ATOM 492 ND2 ASN A 32 5.024 15.903 -4.448 1.00 0.00 N flip ATOM 0 H ASN A 32 4.763 10.983 -3.182 1.00 0.00 H new ATOM 0 HA ASN A 32 3.579 12.785 -2.291 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.001 14.626 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.113 13.400 -2.820 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.512 16.323 -3.672 1.00 0.00 H new ATOM 0 HD22 ASN A 32 5.185 16.437 -5.302 1.00 0.00 H new ATOM 499 N GLU A 33 2.124 12.714 -4.721 1.00 0.00 N ATOM 500 CA GLU A 33 1.053 13.205 -5.634 1.00 0.00 C ATOM 501 C GLU A 33 0.214 14.261 -4.917 1.00 0.00 C ATOM 502 O GLU A 33 0.241 14.372 -3.709 1.00 0.00 O ATOM 503 CB GLU A 33 0.156 12.033 -6.037 1.00 0.00 C ATOM 504 CG GLU A 33 -0.598 12.386 -7.319 1.00 0.00 C ATOM 505 CD GLU A 33 0.406 12.720 -8.422 1.00 0.00 C ATOM 506 OE1 GLU A 33 1.303 11.920 -8.640 1.00 0.00 O ATOM 507 OE2 GLU A 33 0.263 13.768 -9.028 1.00 0.00 O ATOM 0 H GLU A 33 2.137 11.705 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 33 1.506 13.644 -6.523 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.757 11.137 -6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.550 11.809 -5.237 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.227 11.551 -7.626 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.258 13.235 -7.144 1.00 0.00 H new ATOM 514 N THR A 34 -0.537 15.037 -5.652 1.00 0.00 N ATOM 515 CA THR A 34 -1.379 16.077 -5.005 1.00 0.00 C ATOM 516 C THR A 34 -2.764 15.492 -4.725 1.00 0.00 C ATOM 517 O THR A 34 -3.765 16.180 -4.754 1.00 0.00 O ATOM 518 CB THR A 34 -1.497 17.295 -5.924 1.00 0.00 C ATOM 519 OG1 THR A 34 -2.333 18.268 -5.314 1.00 0.00 O ATOM 520 CG2 THR A 34 -2.097 16.870 -7.265 1.00 0.00 C ATOM 0 H THR A 34 -0.602 14.994 -6.669 1.00 0.00 H new ATOM 0 HA THR A 34 -0.921 16.392 -4.067 1.00 0.00 H new ATOM 0 HB THR A 34 -0.508 17.721 -6.092 1.00 0.00 H new ATOM 0 HG1 THR A 34 -3.191 17.859 -5.076 1.00 0.00 H new ATOM 0 HG21 THR A 34 -2.180 17.739 -7.918 1.00 0.00 H new ATOM 0 HG22 THR A 34 -1.453 16.125 -7.732 1.00 0.00 H new ATOM 0 HG23 THR A 34 -3.086 16.443 -7.102 1.00 0.00 H new ATOM 528 N TYR A 35 -2.812 14.222 -4.446 1.00 0.00 N ATOM 529 CA TYR A 35 -4.109 13.555 -4.146 1.00 0.00 C ATOM 530 C TYR A 35 -3.864 12.436 -3.141 1.00 0.00 C ATOM 531 O TYR A 35 -2.901 12.446 -2.400 1.00 0.00 O ATOM 532 CB TYR A 35 -4.691 12.927 -5.415 1.00 0.00 C ATOM 533 CG TYR A 35 -4.412 13.808 -6.611 1.00 0.00 C ATOM 534 CD1 TYR A 35 -5.061 15.042 -6.737 1.00 0.00 C ATOM 535 CD2 TYR A 35 -3.513 13.387 -7.596 1.00 0.00 C ATOM 536 CE1 TYR A 35 -4.810 15.855 -7.848 1.00 0.00 C ATOM 537 CE2 TYR A 35 -3.262 14.199 -8.709 1.00 0.00 C ATOM 538 CZ TYR A 35 -3.911 15.434 -8.835 1.00 0.00 C ATOM 539 OH TYR A 35 -3.663 16.235 -9.932 1.00 0.00 O ATOM 0 H TYR A 35 -1.998 13.609 -4.412 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.803 14.297 -3.751 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -4.257 11.940 -5.573 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.766 12.788 -5.300 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -5.756 15.367 -5.976 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -3.012 12.435 -7.498 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -5.310 16.807 -7.944 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -2.568 13.873 -9.470 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.014 15.794 -10.519 1.00 0.00 H new ATOM 549 N GLY A 36 -4.717 11.455 -3.136 1.00 0.00 N ATOM 550 CA GLY A 36 -4.532 10.308 -2.214 1.00 0.00 C ATOM 551 C GLY A 36 -4.102 9.102 -3.045 1.00 0.00 C ATOM 552 O GLY A 36 -4.885 8.214 -3.318 1.00 0.00 O ATOM 0 H GLY A 36 -5.540 11.399 -3.736 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.778 10.541 -1.462 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.458 10.093 -1.681 1.00 0.00 H new ATOM 556 N LYS A 37 -2.861 9.057 -3.451 1.00 0.00 N ATOM 557 CA LYS A 37 -2.389 7.914 -4.257 1.00 0.00 C ATOM 558 C LYS A 37 -1.047 7.497 -3.675 1.00 0.00 C ATOM 559 O LYS A 37 -0.165 7.034 -4.343 1.00 0.00 O ATOM 560 CB LYS A 37 -2.225 8.333 -5.718 1.00 0.00 C ATOM 561 CG LYS A 37 -3.577 8.247 -6.431 1.00 0.00 C ATOM 562 CD LYS A 37 -3.451 8.847 -7.833 1.00 0.00 C ATOM 563 CE LYS A 37 -4.356 10.074 -7.946 1.00 0.00 C ATOM 564 NZ LYS A 37 -5.481 9.777 -8.878 1.00 0.00 N ATOM 0 H LYS A 37 -2.158 9.769 -3.254 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.102 7.090 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.837 9.350 -5.774 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.500 7.687 -6.213 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.901 7.208 -6.496 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.336 8.783 -5.861 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.416 9.126 -8.029 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.729 8.107 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.745 10.344 -6.964 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.785 10.928 -8.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.097 10.611 -8.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.101 9.539 -9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.031 8.973 -8.513 1.00 0.00 H new ATOM 578 N LEU A 38 -0.896 7.705 -2.419 1.00 0.00 N ATOM 579 CA LEU A 38 0.357 7.395 -1.731 1.00 0.00 C ATOM 580 C LEU A 38 0.087 6.241 -0.782 1.00 0.00 C ATOM 581 O LEU A 38 0.237 6.365 0.415 1.00 0.00 O ATOM 582 CB LEU A 38 0.706 8.619 -0.917 1.00 0.00 C ATOM 583 CG LEU A 38 0.394 9.917 -1.697 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.553 9.732 -3.211 1.00 0.00 C ATOM 585 CD2 LEU A 38 -1.020 10.399 -1.375 1.00 0.00 C ATOM 0 H LEU A 38 -1.621 8.094 -1.816 1.00 0.00 H new ATOM 0 HA LEU A 38 1.158 7.134 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.145 8.610 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.764 8.595 -0.654 1.00 0.00 H new ATOM 0 HG LEU A 38 1.117 10.669 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.324 10.669 -3.718 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.578 9.439 -3.436 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.130 8.956 -3.556 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.228 11.314 -1.930 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.740 9.631 -1.658 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.102 10.597 -0.306 1.00 0.00 H new ATOM 597 N GLU A 39 -0.366 5.145 -1.295 1.00 0.00 N ATOM 598 CA GLU A 39 -0.714 4.016 -0.407 1.00 0.00 C ATOM 599 C GLU A 39 -1.163 2.845 -1.278 1.00 0.00 C ATOM 600 O GLU A 39 -0.863 2.788 -2.449 1.00 0.00 O ATOM 601 CB GLU A 39 -1.871 4.478 0.487 1.00 0.00 C ATOM 602 CG GLU A 39 -1.500 4.312 1.965 1.00 0.00 C ATOM 603 CD GLU A 39 -0.991 5.641 2.524 1.00 0.00 C ATOM 604 OE1 GLU A 39 -1.806 6.528 2.727 1.00 0.00 O ATOM 605 OE2 GLU A 39 0.203 5.752 2.742 1.00 0.00 O ATOM 0 H GLU A 39 -0.511 4.980 -2.291 1.00 0.00 H new ATOM 0 HA GLU A 39 0.133 3.705 0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.106 5.522 0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.767 3.899 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.369 3.977 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.734 3.544 2.073 1.00 0.00 H new ATOM 612 N ALA A 40 -1.903 1.932 -0.744 1.00 0.00 N ATOM 613 CA ALA A 40 -2.380 0.807 -1.590 1.00 0.00 C ATOM 614 C ALA A 40 -3.356 1.364 -2.623 1.00 0.00 C ATOM 615 O ALA A 40 -3.929 2.417 -2.444 1.00 0.00 O ATOM 616 CB ALA A 40 -3.093 -0.226 -0.717 1.00 0.00 C ATOM 0 H ALA A 40 -2.200 1.909 0.232 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.537 0.328 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.442 -1.050 -1.340 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.401 -0.607 0.035 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.945 0.241 -0.223 1.00 0.00 H new ATOM 622 N VAL A 41 -3.551 0.665 -3.697 1.00 0.00 N ATOM 623 CA VAL A 41 -4.491 1.141 -4.742 1.00 0.00 C ATOM 624 C VAL A 41 -5.812 0.417 -4.540 1.00 0.00 C ATOM 625 O VAL A 41 -6.881 0.969 -4.707 1.00 0.00 O ATOM 626 CB VAL A 41 -3.901 0.817 -6.131 1.00 0.00 C ATOM 627 CG1 VAL A 41 -4.771 -0.193 -6.863 1.00 0.00 C ATOM 628 CG2 VAL A 41 -3.827 2.087 -6.972 1.00 0.00 C ATOM 0 H VAL A 41 -3.096 -0.225 -3.899 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.648 2.218 -4.675 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.904 0.400 -5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.337 -0.407 -7.840 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.828 -1.113 -6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.773 0.216 -6.993 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.410 1.851 -7.951 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.828 2.501 -7.094 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.191 2.817 -6.473 1.00 0.00 H new ATOM 638 N GLN A 42 -5.728 -0.830 -4.199 1.00 0.00 N ATOM 639 CA GLN A 42 -6.962 -1.628 -4.001 1.00 0.00 C ATOM 640 C GLN A 42 -6.576 -3.100 -3.896 1.00 0.00 C ATOM 641 O GLN A 42 -5.481 -3.494 -4.242 1.00 0.00 O ATOM 642 CB GLN A 42 -7.911 -1.372 -5.198 1.00 0.00 C ATOM 643 CG GLN A 42 -8.459 -2.687 -5.789 1.00 0.00 C ATOM 644 CD GLN A 42 -7.338 -3.417 -6.534 1.00 0.00 C ATOM 645 OE1 GLN A 42 -7.092 -4.662 -6.239 1.00 0.00 O flip ATOM 646 NE2 GLN A 42 -6.682 -2.850 -7.385 1.00 0.00 N flip ATOM 0 H GLN A 42 -4.855 -1.335 -4.048 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.479 -1.342 -3.085 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.742 -0.745 -4.875 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.378 -0.820 -5.972 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.854 -3.319 -4.994 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.285 -2.477 -6.468 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.877 -1.875 -7.614 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.936 -3.349 -7.871 1.00 0.00 H new ATOM 655 N TYR A 43 -7.470 -3.913 -3.431 1.00 0.00 N ATOM 656 CA TYR A 43 -7.158 -5.353 -3.314 1.00 0.00 C ATOM 657 C TYR A 43 -8.406 -6.162 -3.646 1.00 0.00 C ATOM 658 O TYR A 43 -9.416 -6.072 -2.974 1.00 0.00 O ATOM 659 CB TYR A 43 -6.709 -5.661 -1.895 1.00 0.00 C ATOM 660 CG TYR A 43 -7.827 -5.327 -0.933 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.273 -4.004 -0.802 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.424 -6.344 -0.180 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.317 -3.704 0.085 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.464 -6.042 0.706 1.00 0.00 C ATOM 665 CZ TYR A 43 -9.911 -4.723 0.839 1.00 0.00 C ATOM 666 OH TYR A 43 -10.940 -4.425 1.710 1.00 0.00 O ATOM 0 H TYR A 43 -8.405 -3.642 -3.126 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.358 -5.615 -4.007 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.440 -6.714 -1.807 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.818 -5.083 -1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.814 -3.218 -1.383 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.082 -7.363 -0.283 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.663 -2.686 0.186 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.922 -6.828 1.288 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.240 -5.245 2.154 1.00 0.00 H new ATOM 676 N LYS A 44 -8.346 -6.947 -4.683 1.00 0.00 N ATOM 677 CA LYS A 44 -9.521 -7.760 -5.060 1.00 0.00 C ATOM 678 C LYS A 44 -9.414 -9.107 -4.354 1.00 0.00 C ATOM 679 O LYS A 44 -8.348 -9.520 -3.946 1.00 0.00 O ATOM 680 CB LYS A 44 -9.553 -7.962 -6.585 1.00 0.00 C ATOM 681 CG LYS A 44 -10.321 -9.241 -6.950 1.00 0.00 C ATOM 682 CD LYS A 44 -10.889 -9.111 -8.362 1.00 0.00 C ATOM 683 CE LYS A 44 -12.226 -8.365 -8.306 1.00 0.00 C ATOM 684 NZ LYS A 44 -13.094 -8.825 -9.427 1.00 0.00 N ATOM 0 H LYS A 44 -7.529 -7.057 -5.284 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.440 -7.254 -4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.024 -7.102 -7.060 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.535 -8.021 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.658 -10.105 -6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.128 -9.409 -6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.187 -8.574 -9.000 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -11.029 -10.098 -8.802 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.718 -8.548 -7.351 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.059 -7.290 -8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.454 -8.000 -9.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.541 -9.426 -10.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.894 -9.370 -9.046 1.00 0.00 H new ATOM 698 N THR A 45 -10.501 -9.792 -4.204 1.00 0.00 N ATOM 699 CA THR A 45 -10.445 -11.111 -3.518 1.00 0.00 C ATOM 700 C THR A 45 -11.112 -12.184 -4.382 1.00 0.00 C ATOM 701 O THR A 45 -12.224 -12.029 -4.843 1.00 0.00 O ATOM 702 CB THR A 45 -11.177 -11.010 -2.178 1.00 0.00 C ATOM 703 OG1 THR A 45 -11.980 -9.837 -2.168 1.00 0.00 O ATOM 704 CG2 THR A 45 -10.159 -10.941 -1.039 1.00 0.00 C ATOM 0 H THR A 45 -11.425 -9.502 -4.523 1.00 0.00 H new ATOM 0 HA THR A 45 -9.403 -11.386 -3.354 1.00 0.00 H new ATOM 0 HB THR A 45 -11.809 -11.888 -2.043 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.451 -9.771 -1.311 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.683 -10.869 -0.086 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.543 -11.840 -1.047 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.524 -10.065 -1.171 1.00 0.00 H new ATOM 712 N GLN A 46 -10.435 -13.280 -4.588 1.00 0.00 N ATOM 713 CA GLN A 46 -11.011 -14.383 -5.407 1.00 0.00 C ATOM 714 C GLN A 46 -10.346 -15.695 -4.990 1.00 0.00 C ATOM 715 O GLN A 46 -9.139 -15.801 -4.961 1.00 0.00 O ATOM 716 CB GLN A 46 -10.749 -14.117 -6.890 1.00 0.00 C ATOM 717 CG GLN A 46 -9.332 -13.578 -7.073 1.00 0.00 C ATOM 718 CD GLN A 46 -8.583 -14.445 -8.085 1.00 0.00 C ATOM 719 OE1 GLN A 46 -8.854 -15.623 -8.210 1.00 0.00 O ATOM 720 NE2 GLN A 46 -7.648 -13.911 -8.821 1.00 0.00 N ATOM 0 H GLN A 46 -9.500 -13.460 -4.221 1.00 0.00 H new ATOM 0 HA GLN A 46 -12.088 -14.444 -5.247 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.876 -15.036 -7.462 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -11.474 -13.400 -7.274 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.366 -12.545 -7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.806 -13.578 -6.119 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.419 -12.922 -8.717 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -7.145 -14.482 -9.500 1.00 0.00 H new ATOM 729 N VAL A 47 -11.126 -16.687 -4.650 1.00 0.00 N ATOM 730 CA VAL A 47 -10.550 -17.990 -4.212 1.00 0.00 C ATOM 731 C VAL A 47 -9.601 -18.546 -5.258 1.00 0.00 C ATOM 732 O VAL A 47 -9.057 -17.826 -6.069 1.00 0.00 O ATOM 733 CB VAL A 47 -11.685 -18.984 -3.966 1.00 0.00 C ATOM 734 CG1 VAL A 47 -12.791 -18.307 -3.154 1.00 0.00 C ATOM 735 CG2 VAL A 47 -12.255 -19.456 -5.306 1.00 0.00 C ATOM 0 H VAL A 47 -12.145 -16.649 -4.657 1.00 0.00 H new ATOM 0 HA VAL A 47 -9.987 -17.831 -3.293 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.300 -19.841 -3.414 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -13.600 -19.016 -2.979 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -12.388 -17.973 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -13.174 -17.449 -3.706 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.064 -20.165 -5.128 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.638 -18.599 -5.860 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.469 -19.941 -5.885 1.00 0.00 H new ATOM 745 N VAL A 48 -9.377 -19.828 -5.197 1.00 0.00 N ATOM 746 CA VAL A 48 -8.433 -20.495 -6.130 1.00 0.00 C ATOM 747 C VAL A 48 -8.139 -21.880 -5.560 1.00 0.00 C ATOM 748 O VAL A 48 -8.185 -22.893 -6.231 1.00 0.00 O ATOM 749 CB VAL A 48 -7.135 -19.653 -6.184 1.00 0.00 C ATOM 750 CG1 VAL A 48 -5.997 -20.301 -5.386 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.699 -19.470 -7.639 1.00 0.00 C ATOM 0 H VAL A 48 -9.819 -20.454 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.844 -20.584 -7.135 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.351 -18.685 -5.732 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.106 -19.677 -5.451 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.295 -20.400 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.780 -21.287 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.785 -18.877 -7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.515 -20.446 -8.089 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.485 -18.957 -8.193 1.00 0.00 H new ATOM 761 N ALA A 49 -7.806 -21.878 -4.308 1.00 0.00 N ATOM 762 CA ALA A 49 -7.452 -23.123 -3.578 1.00 0.00 C ATOM 763 C ALA A 49 -6.589 -22.694 -2.399 1.00 0.00 C ATOM 764 O ALA A 49 -5.508 -23.193 -2.175 1.00 0.00 O ATOM 765 CB ALA A 49 -6.654 -24.057 -4.486 1.00 0.00 C ATOM 0 H ALA A 49 -7.762 -21.034 -3.737 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.345 -23.656 -3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.400 -24.966 -3.940 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.253 -24.314 -5.360 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.739 -23.559 -4.806 1.00 0.00 H new ATOM 771 N GLY A 50 -7.063 -21.723 -1.677 1.00 0.00 N ATOM 772 CA GLY A 50 -6.310 -21.164 -0.523 1.00 0.00 C ATOM 773 C GLY A 50 -6.779 -19.721 -0.358 1.00 0.00 C ATOM 774 O GLY A 50 -6.772 -19.173 0.725 1.00 0.00 O ATOM 0 H GLY A 50 -7.967 -21.280 -1.843 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.503 -21.740 0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.236 -21.205 -0.704 1.00 0.00 H new ATOM 778 N THR A 51 -7.207 -19.140 -1.462 1.00 0.00 N ATOM 779 CA THR A 51 -7.736 -17.741 -1.503 1.00 0.00 C ATOM 780 C THR A 51 -6.750 -16.820 -2.221 1.00 0.00 C ATOM 781 O THR A 51 -5.782 -16.354 -1.647 1.00 0.00 O ATOM 782 CB THR A 51 -7.993 -17.211 -0.101 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.826 -18.122 0.606 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.687 -15.851 -0.194 1.00 0.00 C ATOM 0 H THR A 51 -7.208 -19.604 -2.370 1.00 0.00 H new ATOM 0 HA THR A 51 -8.680 -17.759 -2.048 1.00 0.00 H new ATOM 0 HB THR A 51 -7.046 -17.102 0.428 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.287 -18.623 1.254 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.873 -15.468 0.809 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.049 -15.153 -0.736 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.634 -15.961 -0.721 1.00 0.00 H new ATOM 792 N ASN A 52 -6.996 -16.544 -3.479 1.00 0.00 N ATOM 793 CA ASN A 52 -6.085 -15.639 -4.241 1.00 0.00 C ATOM 794 C ASN A 52 -6.326 -14.187 -3.813 1.00 0.00 C ATOM 795 O ASN A 52 -7.425 -13.810 -3.455 1.00 0.00 O ATOM 796 CB ASN A 52 -6.387 -15.765 -5.735 1.00 0.00 C ATOM 797 CG ASN A 52 -5.092 -15.634 -6.537 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.811 -14.591 -7.094 1.00 0.00 O ATOM 799 ND2 ASN A 52 -4.287 -16.658 -6.621 1.00 0.00 N ATOM 0 H ASN A 52 -7.788 -16.907 -4.009 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.050 -15.917 -4.040 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.857 -16.727 -5.941 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.094 -14.993 -6.039 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.421 -16.583 -7.155 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.524 -17.533 -6.153 1.00 0.00 H new ATOM 806 N TYR A 53 -5.314 -13.363 -3.872 1.00 0.00 N ATOM 807 CA TYR A 53 -5.495 -11.930 -3.494 1.00 0.00 C ATOM 808 C TYR A 53 -4.817 -11.049 -4.544 1.00 0.00 C ATOM 809 O TYR A 53 -3.674 -11.250 -4.899 1.00 0.00 O ATOM 810 CB TYR A 53 -4.864 -11.634 -2.127 1.00 0.00 C ATOM 811 CG TYR A 53 -5.391 -12.589 -1.081 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.758 -12.624 -0.790 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.507 -13.426 -0.386 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.242 -13.493 0.195 1.00 0.00 C ATOM 815 CE2 TYR A 53 -4.991 -14.297 0.595 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.357 -14.331 0.885 1.00 0.00 C ATOM 817 OH TYR A 53 -6.832 -15.189 1.856 1.00 0.00 O ATOM 0 H TYR A 53 -4.371 -13.619 -4.165 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.563 -11.721 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.780 -11.722 -2.194 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.083 -10.607 -1.834 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.441 -11.981 -1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.451 -13.398 -0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.297 -13.517 0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.309 -14.943 1.128 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.086 -15.699 2.235 1.00 0.00 H new ATOM 827 N TYR A 54 -5.518 -10.070 -5.039 1.00 0.00 N ATOM 828 CA TYR A 54 -4.922 -9.164 -6.061 1.00 0.00 C ATOM 829 C TYR A 54 -4.648 -7.806 -5.409 1.00 0.00 C ATOM 830 O TYR A 54 -5.506 -6.954 -5.363 1.00 0.00 O ATOM 831 CB TYR A 54 -5.921 -8.995 -7.206 1.00 0.00 C ATOM 832 CG TYR A 54 -5.181 -8.803 -8.510 1.00 0.00 C ATOM 833 CD1 TYR A 54 -4.298 -9.789 -8.969 1.00 0.00 C ATOM 834 CD2 TYR A 54 -5.380 -7.639 -9.259 1.00 0.00 C ATOM 835 CE1 TYR A 54 -3.616 -9.608 -10.178 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.698 -7.458 -10.468 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.816 -8.442 -10.928 1.00 0.00 C ATOM 838 OH TYR A 54 -3.142 -8.264 -12.120 1.00 0.00 O ATOM 0 H TYR A 54 -6.481 -9.856 -4.780 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.991 -9.579 -6.447 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.566 -9.871 -7.270 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.566 -8.137 -7.014 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.144 -10.688 -8.391 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -6.060 -6.879 -8.904 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -2.935 -10.368 -10.533 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -4.853 -6.559 -11.046 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.396 -7.403 -12.514 1.00 0.00 H new ATOM 848 N ILE A 55 -3.476 -7.596 -4.876 1.00 0.00 N ATOM 849 CA ILE A 55 -3.206 -6.299 -4.204 1.00 0.00 C ATOM 850 C ILE A 55 -2.512 -5.322 -5.147 1.00 0.00 C ATOM 851 O ILE A 55 -1.302 -5.246 -5.200 1.00 0.00 O ATOM 852 CB ILE A 55 -2.324 -6.552 -2.985 1.00 0.00 C ATOM 853 CG1 ILE A 55 -2.794 -7.821 -2.270 1.00 0.00 C ATOM 854 CG2 ILE A 55 -2.410 -5.364 -2.032 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.287 -7.713 -1.956 1.00 0.00 C ATOM 0 H ILE A 55 -2.702 -8.260 -4.877 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.154 -5.855 -3.901 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.290 -6.679 -3.307 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.606 -8.693 -2.896 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.228 -7.962 -1.349 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.779 -5.548 -1.163 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.070 -4.463 -2.542 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.442 -5.231 -1.709 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.618 -8.618 -1.447 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.462 -6.850 -1.313 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.846 -7.593 -2.884 1.00 0.00 H new ATOM 867 N LYS A 56 -3.274 -4.534 -5.848 1.00 0.00 N ATOM 868 CA LYS A 56 -2.677 -3.523 -6.744 1.00 0.00 C ATOM 869 C LYS A 56 -2.293 -2.339 -5.857 1.00 0.00 C ATOM 870 O LYS A 56 -3.145 -1.724 -5.246 1.00 0.00 O ATOM 871 CB LYS A 56 -3.728 -3.096 -7.762 1.00 0.00 C ATOM 872 CG LYS A 56 -3.090 -2.186 -8.814 1.00 0.00 C ATOM 873 CD LYS A 56 -4.141 -1.800 -9.856 1.00 0.00 C ATOM 874 CE LYS A 56 -3.655 -2.214 -11.244 1.00 0.00 C ATOM 875 NZ LYS A 56 -4.827 -2.438 -12.137 1.00 0.00 N ATOM 0 H LYS A 56 -4.294 -4.551 -5.835 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.808 -3.905 -7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.161 -3.974 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.542 -2.573 -7.260 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.686 -1.291 -8.340 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.256 -2.697 -9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.089 -2.288 -9.630 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.320 -0.725 -9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.010 -1.440 -11.661 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -3.058 -3.123 -11.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -4.495 -2.720 -13.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -5.426 -3.191 -11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.379 -1.560 -12.212 1.00 0.00 H new ATOM 889 N VAL A 57 -1.034 -2.028 -5.730 1.00 0.00 N ATOM 890 CA VAL A 57 -0.666 -0.902 -4.820 1.00 0.00 C ATOM 891 C VAL A 57 -0.620 0.425 -5.578 1.00 0.00 C ATOM 892 O VAL A 57 -0.243 0.503 -6.730 1.00 0.00 O ATOM 893 CB VAL A 57 0.680 -1.181 -4.116 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.496 -2.184 -4.901 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.475 0.116 -3.953 1.00 0.00 C ATOM 0 H VAL A 57 -0.258 -2.490 -6.203 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.438 -0.824 -4.055 1.00 0.00 H new ATOM 0 HB VAL A 57 0.467 -1.596 -3.131 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.440 -2.366 -4.388 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.942 -3.119 -4.984 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.695 -1.791 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.421 -0.097 -3.455 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.671 0.549 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.901 0.822 -3.353 1.00 0.00 H new ATOM 905 N ARG A 58 -1.007 1.470 -4.903 1.00 0.00 N ATOM 906 CA ARG A 58 -1.006 2.826 -5.508 1.00 0.00 C ATOM 907 C ARG A 58 0.273 3.551 -5.107 1.00 0.00 C ATOM 908 O ARG A 58 0.668 3.535 -3.959 1.00 0.00 O ATOM 909 CB ARG A 58 -2.248 3.586 -4.977 1.00 0.00 C ATOM 910 CG ARG A 58 -1.899 4.940 -4.315 1.00 0.00 C ATOM 911 CD ARG A 58 -2.723 5.121 -3.039 1.00 0.00 C ATOM 912 NE ARG A 58 -4.110 4.661 -3.290 1.00 0.00 N ATOM 913 CZ ARG A 58 -5.117 5.250 -2.702 1.00 0.00 C ATOM 914 NH1 ARG A 58 -4.908 6.037 -1.682 1.00 0.00 N ATOM 915 NH2 ARG A 58 -6.333 5.049 -3.132 1.00 0.00 N ATOM 0 H ARG A 58 -1.331 1.438 -3.936 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.046 2.769 -6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.939 3.760 -5.802 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.767 2.958 -4.253 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.835 4.977 -4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -2.101 5.757 -5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.280 4.553 -2.221 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.723 6.168 -2.736 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.279 3.881 -3.925 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.958 6.192 -1.344 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.694 6.497 -1.223 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.497 4.432 -3.927 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.119 5.509 -2.673 1.00 0.00 H new ATOM 929 N ALA A 59 0.903 4.232 -6.009 1.00 0.00 N ATOM 930 CA ALA A 59 2.106 4.981 -5.601 1.00 0.00 C ATOM 931 C ALA A 59 1.991 6.397 -6.147 1.00 0.00 C ATOM 932 O ALA A 59 2.967 7.089 -6.314 1.00 0.00 O ATOM 933 CB ALA A 59 3.361 4.288 -6.124 1.00 0.00 C ATOM 0 H ALA A 59 0.643 4.302 -6.993 1.00 0.00 H new ATOM 0 HA ALA A 59 2.183 5.016 -4.514 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.242 4.851 -5.816 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.415 3.278 -5.718 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.323 4.240 -7.212 1.00 0.00 H new ATOM 939 N GLY A 60 0.789 6.847 -6.397 1.00 0.00 N ATOM 940 CA GLY A 60 0.617 8.238 -6.907 1.00 0.00 C ATOM 941 C GLY A 60 -0.027 8.196 -8.294 1.00 0.00 C ATOM 942 O GLY A 60 -0.409 7.152 -8.781 1.00 0.00 O ATOM 0 H GLY A 60 -0.073 6.317 -6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.006 8.813 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.583 8.740 -6.958 1.00 0.00 H new ATOM 946 N ASP A 61 -0.153 9.325 -8.939 1.00 0.00 N ATOM 947 CA ASP A 61 -0.771 9.342 -10.295 1.00 0.00 C ATOM 948 C ASP A 61 0.270 8.921 -11.335 1.00 0.00 C ATOM 949 O ASP A 61 -0.039 8.731 -12.495 1.00 0.00 O ATOM 950 CB ASP A 61 -1.271 10.752 -10.617 1.00 0.00 C ATOM 951 CG ASP A 61 -2.189 10.703 -11.840 1.00 0.00 C ATOM 952 OD1 ASP A 61 -2.826 9.680 -12.038 1.00 0.00 O ATOM 953 OD2 ASP A 61 -2.241 11.688 -12.558 1.00 0.00 O ATOM 0 H ASP A 61 0.145 10.234 -8.586 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.611 8.648 -10.317 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.809 11.162 -9.762 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.426 11.413 -10.810 1.00 0.00 H new ATOM 958 N ASN A 62 1.502 8.771 -10.930 1.00 0.00 N ATOM 959 CA ASN A 62 2.558 8.363 -11.889 1.00 0.00 C ATOM 960 C ASN A 62 3.081 6.977 -11.511 1.00 0.00 C ATOM 961 O ASN A 62 3.414 6.173 -12.358 1.00 0.00 O ATOM 962 CB ASN A 62 3.706 9.375 -11.855 1.00 0.00 C ATOM 963 CG ASN A 62 4.025 9.738 -10.405 1.00 0.00 C ATOM 964 OD1 ASN A 62 5.019 9.302 -9.862 1.00 0.00 O ATOM 965 ND2 ASN A 62 3.217 10.525 -9.750 1.00 0.00 N ATOM 0 H ASN A 62 1.820 8.915 -9.972 1.00 0.00 H new ATOM 0 HA ASN A 62 2.140 8.331 -12.895 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.588 8.956 -12.338 1.00 0.00 H new ATOM 0 HB3 ASN A 62 3.432 10.270 -12.413 1.00 0.00 H new ATOM 0 HD21 ASN A 62 3.421 10.774 -8.782 1.00 0.00 H new ATOM 0 HD22 ASN A 62 2.381 10.892 -10.206 1.00 0.00 H new ATOM 972 N LYS A 63 3.152 6.689 -10.240 1.00 0.00 N ATOM 973 CA LYS A 63 3.647 5.352 -9.806 1.00 0.00 C ATOM 974 C LYS A 63 2.464 4.384 -9.706 1.00 0.00 C ATOM 975 O LYS A 63 1.334 4.783 -9.477 1.00 0.00 O ATOM 976 CB LYS A 63 4.325 5.475 -8.452 1.00 0.00 C ATOM 977 CG LYS A 63 5.538 6.398 -8.558 1.00 0.00 C ATOM 978 CD LYS A 63 6.108 6.636 -7.160 1.00 0.00 C ATOM 979 CE LYS A 63 6.919 7.933 -7.150 1.00 0.00 C ATOM 980 NZ LYS A 63 8.080 7.802 -8.079 1.00 0.00 N ATOM 0 H LYS A 63 2.889 7.321 -9.484 1.00 0.00 H new ATOM 0 HA LYS A 63 4.366 4.974 -10.533 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.622 5.868 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.636 4.491 -8.101 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.295 5.951 -9.202 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.251 7.346 -9.014 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.299 6.696 -6.432 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.740 5.798 -6.867 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.290 8.770 -7.453 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.270 8.147 -6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.731 8.601 -7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.579 6.910 -7.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.740 7.804 -9.062 1.00 0.00 H new ATOM 994 N TYR A 64 2.710 3.117 -9.875 1.00 0.00 N ATOM 995 CA TYR A 64 1.603 2.126 -9.817 1.00 0.00 C ATOM 996 C TYR A 64 2.210 0.746 -9.626 1.00 0.00 C ATOM 997 O TYR A 64 2.628 0.102 -10.564 1.00 0.00 O ATOM 998 CB TYR A 64 0.838 2.172 -11.139 1.00 0.00 C ATOM 999 CG TYR A 64 -0.635 1.955 -10.885 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -1.058 1.275 -9.737 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.578 2.441 -11.799 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.424 1.078 -9.503 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.944 2.245 -11.564 1.00 0.00 C ATOM 1004 CZ TYR A 64 -3.368 1.564 -10.417 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.715 1.372 -10.186 1.00 0.00 O ATOM 0 H TYR A 64 3.634 2.723 -10.052 1.00 0.00 H new ATOM 0 HA TYR A 64 0.923 2.349 -8.995 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.994 3.134 -11.627 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.217 1.406 -11.816 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.330 0.902 -9.032 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.252 2.967 -12.684 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.750 0.552 -8.618 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.672 2.620 -12.269 1.00 0.00 H new ATOM 0 HH TYR A 64 -5.103 0.857 -10.924 1.00 0.00 H new ATOM 1015 N LEU A 65 2.285 0.295 -8.418 1.00 0.00 N ATOM 1016 CA LEU A 65 2.903 -1.026 -8.166 1.00 0.00 C ATOM 1017 C LEU A 65 1.847 -2.110 -8.151 1.00 0.00 C ATOM 1018 O LEU A 65 0.694 -1.874 -8.459 1.00 0.00 O ATOM 1019 CB LEU A 65 3.626 -0.982 -6.830 1.00 0.00 C ATOM 1020 CG LEU A 65 4.641 0.175 -6.871 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.915 1.508 -6.721 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.627 0.039 -5.713 1.00 0.00 C ATOM 0 H LEU A 65 1.945 0.783 -7.590 1.00 0.00 H new ATOM 0 HA LEU A 65 3.612 -1.253 -8.962 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.915 -0.835 -6.017 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.135 -1.927 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 65 5.169 0.139 -7.824 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.639 2.322 -6.751 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.201 1.627 -7.536 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.385 1.529 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.343 0.860 -5.747 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.085 0.069 -4.768 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.158 -0.909 -5.797 1.00 0.00 H new ATOM 1034 N HIS A 66 2.216 -3.311 -7.807 1.00 0.00 N ATOM 1035 CA HIS A 66 1.207 -4.375 -7.808 1.00 0.00 C ATOM 1036 C HIS A 66 1.681 -5.599 -7.021 1.00 0.00 C ATOM 1037 O HIS A 66 2.858 -5.843 -6.853 1.00 0.00 O ATOM 1038 CB HIS A 66 0.944 -4.761 -9.248 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.444 -5.278 -9.346 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.435 -4.602 -10.019 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -1.031 -6.385 -8.812 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.565 -5.302 -9.871 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.379 -6.406 -9.144 1.00 0.00 N ATOM 0 H HIS A 66 3.158 -3.588 -7.531 1.00 0.00 H new ATOM 0 HA HIS A 66 0.299 -4.012 -7.327 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.075 -3.899 -9.902 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.656 -5.520 -9.574 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.525 -7.133 -8.220 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.516 -5.009 -10.290 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.073 -7.109 -8.889 1.00 0.00 H new ATOM 1051 N LEU A 67 0.740 -6.363 -6.538 1.00 0.00 N ATOM 1052 CA LEU A 67 1.053 -7.584 -5.749 1.00 0.00 C ATOM 1053 C LEU A 67 -0.108 -8.554 -5.875 1.00 0.00 C ATOM 1054 O LEU A 67 -1.207 -8.196 -6.250 1.00 0.00 O ATOM 1055 CB LEU A 67 1.185 -7.202 -4.276 1.00 0.00 C ATOM 1056 CG LEU A 67 1.151 -8.459 -3.390 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.439 -9.252 -3.561 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.016 -8.033 -1.929 1.00 0.00 C ATOM 0 H LEU A 67 -0.257 -6.186 -6.662 1.00 0.00 H new ATOM 0 HA LEU A 67 1.977 -8.033 -6.114 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.118 -6.662 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.375 -6.529 -3.994 1.00 0.00 H new ATOM 0 HG LEU A 67 0.305 -9.082 -3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.406 -10.140 -2.930 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.546 -9.551 -4.604 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.288 -8.633 -3.272 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.991 -8.918 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.867 -7.410 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.094 -7.466 -1.799 1.00 0.00 H new ATOM 1070 N LYS A 68 0.131 -9.766 -5.516 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.906 -10.785 -5.535 1.00 0.00 C ATOM 1072 C LYS A 68 -0.682 -11.623 -4.317 1.00 0.00 C ATOM 1073 O LYS A 68 0.164 -12.499 -4.340 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.671 -11.668 -6.709 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.921 -12.468 -7.044 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.981 -13.682 -6.114 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.586 -14.960 -6.860 1.00 0.00 C ATOM 1078 NZ LYS A 68 -2.153 -14.934 -8.241 1.00 0.00 N ATOM 0 H LYS A 68 1.042 -10.097 -5.199 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.902 -10.343 -5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.378 -11.066 -7.569 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.155 -12.347 -6.499 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.811 -11.851 -6.920 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.898 -12.789 -8.085 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.313 -13.529 -5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.988 -13.788 -5.711 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.500 -15.046 -6.904 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.953 -15.834 -6.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.060 -15.876 -8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.158 -14.670 -8.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.636 -14.238 -8.815 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.381 -11.392 -3.261 1.00 0.00 N ATOM 1093 CA VAL A 69 -1.120 -12.237 -2.092 1.00 0.00 C ATOM 1094 C VAL A 69 -1.877 -13.546 -2.276 1.00 0.00 C ATOM 1095 O VAL A 69 -3.028 -13.560 -2.655 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.558 -11.536 -0.807 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -1.007 -12.297 0.400 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -1.016 -10.105 -0.798 1.00 0.00 C ATOM 0 H VAL A 69 -2.101 -10.677 -3.157 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.051 -12.433 -2.006 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.647 -11.513 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.319 -11.798 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.391 -13.317 0.393 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.082 -12.319 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.328 -9.604 0.118 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.073 -10.128 -0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.406 -9.563 -1.659 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.242 -14.653 -2.050 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.952 -15.936 -2.263 1.00 0.00 C ATOM 1110 C PHE A 70 -1.641 -16.923 -1.139 1.00 0.00 C ATOM 1111 O PHE A 70 -0.514 -17.311 -0.938 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.483 -16.515 -3.593 1.00 0.00 C ATOM 1113 CG PHE A 70 -2.107 -17.867 -3.808 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.323 -18.188 -3.196 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.468 -18.799 -4.630 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -3.902 -19.445 -3.409 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -2.044 -20.057 -4.842 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.262 -20.380 -4.234 1.00 0.00 C ATOM 0 H PHE A 70 -0.276 -14.727 -1.731 1.00 0.00 H new ATOM 0 HA PHE A 70 -3.028 -15.762 -2.271 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.755 -15.845 -4.408 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.396 -16.600 -3.600 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.815 -17.467 -2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.529 -18.549 -5.102 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -4.841 -19.694 -2.938 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.548 -20.778 -5.475 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.709 -21.349 -4.400 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.643 -17.357 -0.422 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.393 -18.345 0.664 1.00 0.00 C ATOM 1130 C LYS A 71 -2.511 -19.742 0.059 1.00 0.00 C ATOM 1131 O LYS A 71 -3.404 -20.502 0.378 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.426 -18.171 1.778 1.00 0.00 C ATOM 1133 CG LYS A 71 -2.709 -17.805 3.079 1.00 0.00 C ATOM 1134 CD LYS A 71 -3.731 -17.656 4.206 1.00 0.00 C ATOM 1135 CE LYS A 71 -3.460 -16.358 4.972 1.00 0.00 C ATOM 1136 NZ LYS A 71 -3.505 -15.204 4.028 1.00 0.00 N ATOM 0 H LYS A 71 -3.615 -17.072 -0.540 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.401 -18.197 1.092 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.139 -17.391 1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.995 -19.091 1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.982 -18.576 3.334 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.156 -16.875 2.951 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.741 -17.645 3.796 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.670 -18.509 4.882 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.202 -16.226 5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.485 -16.407 5.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.875 -14.366 4.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.546 -15.004 3.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.125 -15.436 3.226 1.00 0.00 H new ATOM 1150 N SER A 72 -1.618 -20.062 -0.837 1.00 0.00 N ATOM 1151 CA SER A 72 -1.657 -21.387 -1.515 1.00 0.00 C ATOM 1152 C SER A 72 -2.065 -22.486 -0.536 1.00 0.00 C ATOM 1153 O SER A 72 -1.505 -22.636 0.531 1.00 0.00 O ATOM 1154 CB SER A 72 -0.276 -21.705 -2.089 1.00 0.00 C ATOM 1155 OG SER A 72 -0.246 -21.343 -3.463 1.00 0.00 O ATOM 0 H SER A 72 -0.854 -19.454 -1.131 1.00 0.00 H new ATOM 0 HA SER A 72 -2.394 -21.345 -2.317 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.493 -21.161 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.058 -22.767 -1.976 1.00 0.00 H new ATOM 0 HG SER A 72 -0.733 -20.502 -3.590 1.00 0.00 H new ATOM 1161 N LEU A 73 -3.039 -23.258 -0.917 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.517 -24.368 -0.059 1.00 0.00 C ATOM 1163 C LEU A 73 -4.578 -25.151 -0.845 1.00 0.00 C ATOM 1164 O LEU A 73 -5.715 -25.242 -0.435 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.110 -23.784 1.222 1.00 0.00 C ATOM 1166 CG LEU A 73 -4.907 -24.851 1.963 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.462 -24.899 3.426 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.388 -24.493 1.887 1.00 0.00 C ATOM 0 H LEU A 73 -3.533 -23.163 -1.805 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.701 -25.038 0.213 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.313 -23.405 1.861 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.755 -22.939 0.981 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.737 -25.827 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.033 -25.662 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.400 -25.140 3.476 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.636 -23.929 3.891 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.972 -25.248 2.413 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.551 -23.520 2.350 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.700 -24.455 0.843 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.171 -25.670 -1.982 1.00 0.00 N ATOM 1181 CA PRO A 74 -5.065 -26.430 -2.873 1.00 0.00 C ATOM 1182 C PRO A 74 -5.218 -27.876 -2.384 1.00 0.00 C ATOM 1183 O PRO A 74 -5.104 -28.812 -3.148 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.337 -26.394 -4.221 1.00 0.00 C ATOM 1185 CG PRO A 74 -2.843 -26.148 -3.903 1.00 0.00 C ATOM 1186 CD PRO A 74 -2.785 -25.546 -2.488 1.00 0.00 C ATOM 0 HA PRO A 74 -6.072 -26.016 -2.918 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.470 -27.332 -4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.734 -25.602 -4.856 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.279 -27.079 -3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.399 -25.469 -4.631 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.080 -26.085 -1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.461 -24.505 -2.511 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.481 -28.065 -1.119 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.645 -29.451 -0.593 1.00 0.00 C ATOM 1196 C GLY A 75 -4.295 -29.991 -0.117 1.00 0.00 C ATOM 1197 O GLY A 75 -4.218 -30.741 0.835 1.00 0.00 O ATOM 0 H GLY A 75 -5.589 -27.322 -0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.359 -29.454 0.231 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.052 -30.098 -1.370 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.229 -29.618 -0.768 1.00 0.00 N ATOM 1202 CA GLN A 76 -1.890 -30.115 -0.345 1.00 0.00 C ATOM 1203 C GLN A 76 -1.346 -29.226 0.773 1.00 0.00 C ATOM 1204 O GLN A 76 -0.661 -29.682 1.666 1.00 0.00 O ATOM 1205 CB GLN A 76 -0.931 -30.081 -1.538 1.00 0.00 C ATOM 1206 CG GLN A 76 -0.035 -31.320 -1.505 1.00 0.00 C ATOM 1207 CD GLN A 76 0.264 -31.773 -2.938 1.00 0.00 C ATOM 1208 OE1 GLN A 76 1.404 -31.806 -3.351 1.00 0.00 O ATOM 1209 NE2 GLN A 76 -0.723 -32.126 -3.715 1.00 0.00 N ATOM 0 H GLN A 76 -3.227 -28.992 -1.573 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.981 -31.139 0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.494 -30.051 -2.471 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.322 -29.177 -1.504 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.895 -31.096 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -0.526 -32.122 -0.954 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.681 -32.098 -3.367 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.536 -32.430 -4.671 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.648 -27.959 0.731 1.00 0.00 N ATOM 1219 CA ASN A 77 -1.153 -27.038 1.792 1.00 0.00 C ATOM 1220 C ASN A 77 0.378 -27.027 1.786 1.00 0.00 C ATOM 1221 O ASN A 77 1.017 -27.747 2.526 1.00 0.00 O ATOM 1222 CB ASN A 77 -1.659 -27.513 3.156 1.00 0.00 C ATOM 1223 CG ASN A 77 -1.048 -26.651 4.263 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -0.556 -25.479 3.967 1.00 0.00 O flip ATOM 1225 ND2 ASN A 77 -1.017 -27.051 5.410 1.00 0.00 N flip ATOM 0 H ASN A 77 -2.217 -27.520 0.007 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.522 -26.030 1.601 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.747 -27.451 3.193 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.394 -28.559 3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -1.402 -27.967 5.641 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.606 -26.471 6.142 1.00 0.00 H new ATOM 1232 N GLU A 78 0.967 -26.212 0.955 1.00 0.00 N ATOM 1233 CA GLU A 78 2.455 -26.150 0.899 1.00 0.00 C ATOM 1234 C GLU A 78 2.903 -24.692 1.028 1.00 0.00 C ATOM 1235 O GLU A 78 3.474 -24.126 0.118 1.00 0.00 O ATOM 1236 CB GLU A 78 2.941 -26.716 -0.435 1.00 0.00 C ATOM 1237 CG GLU A 78 3.316 -28.189 -0.260 1.00 0.00 C ATOM 1238 CD GLU A 78 4.775 -28.294 0.189 1.00 0.00 C ATOM 1239 OE1 GLU A 78 5.512 -27.348 -0.034 1.00 0.00 O ATOM 1240 OE2 GLU A 78 5.130 -29.318 0.750 1.00 0.00 O ATOM 0 H GLU A 78 0.482 -25.586 0.312 1.00 0.00 H new ATOM 0 HA GLU A 78 2.876 -26.737 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.161 -26.616 -1.190 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.803 -26.150 -0.790 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.663 -28.656 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.173 -28.726 -1.198 1.00 0.00 H new ATOM 1247 N ASP A 79 2.643 -24.079 2.151 1.00 0.00 N ATOM 1248 CA ASP A 79 3.048 -22.658 2.335 1.00 0.00 C ATOM 1249 C ASP A 79 2.155 -21.764 1.473 1.00 0.00 C ATOM 1250 O ASP A 79 1.220 -22.225 0.847 1.00 0.00 O ATOM 1251 CB ASP A 79 4.508 -22.480 1.912 1.00 0.00 C ATOM 1252 CG ASP A 79 5.161 -21.398 2.772 1.00 0.00 C ATOM 1253 OD1 ASP A 79 4.516 -20.937 3.701 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.294 -21.046 2.489 1.00 0.00 O ATOM 0 H ASP A 79 2.168 -24.502 2.948 1.00 0.00 H new ATOM 0 HA ASP A 79 2.941 -22.382 3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.047 -23.421 2.022 1.00 0.00 H new ATOM 0 HB3 ASP A 79 4.561 -22.204 0.859 1.00 0.00 H new ATOM 1259 N LEU A 80 2.431 -20.490 1.434 1.00 0.00 N ATOM 1260 CA LEU A 80 1.594 -19.576 0.613 1.00 0.00 C ATOM 1261 C LEU A 80 2.274 -19.298 -0.719 1.00 0.00 C ATOM 1262 O LEU A 80 2.946 -20.141 -1.276 1.00 0.00 O ATOM 1263 CB LEU A 80 1.350 -18.270 1.364 1.00 0.00 C ATOM 1264 CG LEU A 80 2.642 -17.472 1.445 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.327 -15.988 1.257 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.271 -17.708 2.812 1.00 0.00 C ATOM 0 H LEU A 80 3.199 -20.044 1.935 1.00 0.00 H new ATOM 0 HA LEU A 80 0.633 -20.055 0.422 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.583 -17.686 0.856 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.979 -18.481 2.367 1.00 0.00 H new ATOM 0 HG LEU A 80 3.336 -17.786 0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.249 -15.410 1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 80 1.863 -15.835 0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.644 -15.659 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.200 -17.143 2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.582 -17.381 3.591 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.482 -18.770 2.937 1.00 0.00 H new ATOM 1278 N VAL A 81 2.071 -18.130 -1.245 1.00 0.00 N ATOM 1279 CA VAL A 81 2.664 -17.795 -2.560 1.00 0.00 C ATOM 1280 C VAL A 81 2.253 -16.367 -2.931 1.00 0.00 C ATOM 1281 O VAL A 81 1.289 -15.839 -2.417 1.00 0.00 O ATOM 1282 CB VAL A 81 2.123 -18.815 -3.574 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.778 -18.146 -4.911 1.00 0.00 C ATOM 1284 CG2 VAL A 81 3.180 -19.894 -3.815 1.00 0.00 C ATOM 0 H VAL A 81 1.516 -17.388 -0.818 1.00 0.00 H new ATOM 0 HA VAL A 81 3.753 -17.840 -2.545 1.00 0.00 H new ATOM 0 HB VAL A 81 1.213 -19.253 -3.164 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.398 -18.895 -5.605 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.017 -17.382 -4.750 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.673 -17.685 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.801 -20.620 -4.534 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.087 -19.434 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.407 -20.398 -2.875 1.00 0.00 H new ATOM 1294 N LEU A 82 2.965 -15.747 -3.824 1.00 0.00 N ATOM 1295 CA LEU A 82 2.601 -14.374 -4.224 1.00 0.00 C ATOM 1296 C LEU A 82 2.901 -14.188 -5.694 1.00 0.00 C ATOM 1297 O LEU A 82 3.841 -13.516 -6.070 1.00 0.00 O ATOM 1298 CB LEU A 82 3.391 -13.351 -3.423 1.00 0.00 C ATOM 1299 CG LEU A 82 2.473 -12.758 -2.370 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.356 -13.722 -1.188 1.00 0.00 C ATOM 1301 CD2 LEU A 82 3.035 -11.421 -1.885 1.00 0.00 C ATOM 0 H LEU A 82 3.783 -16.136 -4.292 1.00 0.00 H new ATOM 0 HA LEU A 82 1.538 -14.226 -4.032 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.254 -13.822 -2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.773 -12.568 -4.078 1.00 0.00 H new ATOM 0 HG LEU A 82 1.487 -12.597 -2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.696 -13.294 -0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.946 -14.671 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.342 -13.889 -0.755 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.372 -11.000 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.024 -11.577 -1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.111 -10.732 -2.726 1.00 0.00 H new ATOM 1313 N THR A 83 2.093 -14.751 -6.535 1.00 0.00 N ATOM 1314 CA THR A 83 2.318 -14.573 -7.987 1.00 0.00 C ATOM 1315 C THR A 83 2.424 -13.077 -8.297 1.00 0.00 C ATOM 1316 O THR A 83 2.815 -12.692 -9.381 1.00 0.00 O ATOM 1317 CB THR A 83 1.159 -15.180 -8.768 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.710 -16.357 -8.108 1.00 0.00 O ATOM 1319 CG2 THR A 83 1.620 -15.526 -10.186 1.00 0.00 C ATOM 0 H THR A 83 1.289 -15.325 -6.282 1.00 0.00 H new ATOM 0 HA THR A 83 3.241 -15.074 -8.278 1.00 0.00 H new ATOM 0 HB THR A 83 0.341 -14.462 -8.823 1.00 0.00 H new ATOM 0 HG1 THR A 83 -0.037 -16.748 -8.608 1.00 0.00 H new ATOM 0 HG21 THR A 83 0.790 -15.960 -10.743 1.00 0.00 H new ATOM 0 HG22 THR A 83 1.960 -14.621 -10.689 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.439 -16.244 -10.137 1.00 0.00 H new ATOM 1327 N GLY A 84 2.087 -12.217 -7.357 1.00 0.00 N ATOM 1328 CA GLY A 84 2.190 -10.761 -7.636 1.00 0.00 C ATOM 1329 C GLY A 84 3.130 -10.121 -6.621 1.00 0.00 C ATOM 1330 O GLY A 84 3.291 -10.607 -5.522 1.00 0.00 O ATOM 0 H GLY A 84 1.751 -12.464 -6.426 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.562 -10.598 -8.647 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.205 -10.297 -7.580 1.00 0.00 H new ATOM 1334 N TYR A 85 3.743 -9.035 -6.998 1.00 0.00 N ATOM 1335 CA TYR A 85 4.683 -8.320 -6.087 1.00 0.00 C ATOM 1336 C TYR A 85 5.711 -7.559 -6.925 1.00 0.00 C ATOM 1337 O TYR A 85 6.503 -8.144 -7.635 1.00 0.00 O ATOM 1338 CB TYR A 85 5.421 -9.289 -5.153 1.00 0.00 C ATOM 1339 CG TYR A 85 5.821 -10.576 -5.860 1.00 0.00 C ATOM 1340 CD1 TYR A 85 5.801 -10.684 -7.261 1.00 0.00 C ATOM 1341 CD2 TYR A 85 6.226 -11.672 -5.088 1.00 0.00 C ATOM 1342 CE1 TYR A 85 6.182 -11.882 -7.877 1.00 0.00 C ATOM 1343 CE2 TYR A 85 6.605 -12.869 -5.706 1.00 0.00 C ATOM 1344 CZ TYR A 85 6.583 -12.974 -7.101 1.00 0.00 C ATOM 1345 OH TYR A 85 6.959 -14.153 -7.711 1.00 0.00 O ATOM 0 H TYR A 85 3.631 -8.604 -7.916 1.00 0.00 H new ATOM 0 HA TYR A 85 4.099 -7.635 -5.472 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.312 -8.802 -4.757 1.00 0.00 H new ATOM 0 HB3 TYR A 85 4.783 -9.527 -4.302 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.492 -9.842 -7.863 1.00 0.00 H new ATOM 0 HD2 TYR A 85 6.246 -11.593 -4.011 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.166 -11.963 -8.954 1.00 0.00 H new ATOM 0 HE2 TYR A 85 6.915 -13.712 -5.106 1.00 0.00 H new ATOM 0 HH TYR A 85 7.210 -14.809 -7.028 1.00 0.00 H new ATOM 1355 N GLN A 86 5.716 -6.260 -6.860 1.00 0.00 N ATOM 1356 CA GLN A 86 6.709 -5.506 -7.681 1.00 0.00 C ATOM 1357 C GLN A 86 6.617 -4.003 -7.426 1.00 0.00 C ATOM 1358 O GLN A 86 5.625 -3.491 -6.940 1.00 0.00 O ATOM 1359 CB GLN A 86 6.429 -5.759 -9.164 1.00 0.00 C ATOM 1360 CG GLN A 86 7.556 -6.602 -9.767 1.00 0.00 C ATOM 1361 CD GLN A 86 8.791 -5.724 -9.974 1.00 0.00 C ATOM 1362 OE1 GLN A 86 9.870 -6.056 -9.523 1.00 0.00 O ATOM 1363 NE2 GLN A 86 8.680 -4.608 -10.641 1.00 0.00 N ATOM 0 H GLN A 86 5.091 -5.693 -6.287 1.00 0.00 H new ATOM 0 HA GLN A 86 7.706 -5.850 -7.404 1.00 0.00 H new ATOM 0 HB2 GLN A 86 5.475 -6.273 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 86 6.347 -4.811 -9.695 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.795 -7.435 -9.107 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.237 -7.030 -10.717 1.00 0.00 H new ATOM 0 HE21 GLN A 86 7.775 -4.328 -11.020 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.498 -4.015 -10.783 1.00 0.00 H new ATOM 1372 N VAL A 87 7.652 -3.297 -7.801 1.00 0.00 N ATOM 1373 CA VAL A 87 7.676 -1.820 -7.650 1.00 0.00 C ATOM 1374 C VAL A 87 7.084 -1.234 -8.926 1.00 0.00 C ATOM 1375 O VAL A 87 6.556 -1.954 -9.749 1.00 0.00 O ATOM 1376 CB VAL A 87 9.136 -1.362 -7.487 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.856 -1.428 -8.836 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.207 0.070 -6.950 1.00 0.00 C ATOM 0 H VAL A 87 8.496 -3.694 -8.213 1.00 0.00 H new ATOM 0 HA VAL A 87 7.107 -1.493 -6.779 1.00 0.00 H new ATOM 0 HB VAL A 87 9.620 -2.029 -6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.889 -1.102 -8.713 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.840 -2.453 -9.207 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.352 -0.776 -9.550 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.250 0.368 -6.845 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.706 0.744 -7.644 1.00 0.00 H new ATOM 0 HG23 VAL A 87 8.716 0.119 -5.978 1.00 0.00 H new ATOM 1388 N ASP A 88 7.174 0.041 -9.120 1.00 0.00 N ATOM 1389 CA ASP A 88 6.618 0.602 -10.370 1.00 0.00 C ATOM 1390 C ASP A 88 7.362 1.866 -10.785 1.00 0.00 C ATOM 1391 O ASP A 88 8.131 1.862 -11.724 1.00 0.00 O ATOM 1392 CB ASP A 88 5.140 0.927 -10.204 1.00 0.00 C ATOM 1393 CG ASP A 88 4.589 1.390 -11.556 1.00 0.00 C ATOM 1394 OD1 ASP A 88 4.680 2.574 -11.838 1.00 0.00 O ATOM 1395 OD2 ASP A 88 4.090 0.553 -12.289 1.00 0.00 O ATOM 0 H ASP A 88 7.601 0.711 -8.480 1.00 0.00 H new ATOM 0 HA ASP A 88 6.739 -0.153 -11.147 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.596 0.050 -9.854 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.005 1.706 -9.453 1.00 0.00 H new ATOM 1400 N LYS A 89 7.098 2.955 -10.114 1.00 0.00 N ATOM 1401 CA LYS A 89 7.744 4.250 -10.473 1.00 0.00 C ATOM 1402 C LYS A 89 6.923 4.909 -11.590 1.00 0.00 C ATOM 1403 O LYS A 89 6.680 6.100 -11.569 1.00 0.00 O ATOM 1404 CB LYS A 89 9.185 4.018 -10.942 1.00 0.00 C ATOM 1405 CG LYS A 89 10.105 5.050 -10.288 1.00 0.00 C ATOM 1406 CD LYS A 89 11.364 4.355 -9.761 1.00 0.00 C ATOM 1407 CE LYS A 89 12.338 4.106 -10.914 1.00 0.00 C ATOM 1408 NZ LYS A 89 12.889 2.724 -10.808 1.00 0.00 N ATOM 0 H LYS A 89 6.455 3.003 -9.324 1.00 0.00 H new ATOM 0 HA LYS A 89 7.775 4.901 -9.599 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.507 3.010 -10.680 1.00 0.00 H new ATOM 0 HB3 LYS A 89 9.243 4.099 -12.027 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.377 5.819 -11.011 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.585 5.550 -9.471 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.839 4.972 -8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 89 11.098 3.410 -9.287 1.00 0.00 H new ATOM 0 HE2 LYS A 89 11.828 4.234 -11.869 1.00 0.00 H new ATOM 0 HE3 LYS A 89 13.148 4.835 -10.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 13.551 2.553 -11.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.389 2.618 -9.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 12.111 2.035 -10.856 1.00 0.00 H new ATOM 1422 N ASN A 90 6.479 4.133 -12.552 1.00 0.00 N ATOM 1423 CA ASN A 90 5.654 4.689 -13.669 1.00 0.00 C ATOM 1424 C ASN A 90 5.769 3.765 -14.887 1.00 0.00 C ATOM 1425 O ASN A 90 5.899 4.215 -16.008 1.00 0.00 O ATOM 1426 CB ASN A 90 6.150 6.088 -14.046 1.00 0.00 C ATOM 1427 CG ASN A 90 7.678 6.111 -14.033 1.00 0.00 C ATOM 1428 OD1 ASN A 90 8.339 5.302 -14.815 1.00 0.00 O flip ATOM 1429 ND2 ASN A 90 8.281 6.875 -13.303 1.00 0.00 N flip ATOM 0 H ASN A 90 6.656 3.130 -12.610 1.00 0.00 H new ATOM 0 HA ASN A 90 4.615 4.756 -13.348 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.781 6.362 -15.034 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.759 6.825 -13.344 1.00 0.00 H new ATOM 0 HD21 ASN A 90 7.767 7.508 -12.691 1.00 0.00 H new ATOM 0 HD22 ASN A 90 9.301 6.882 -13.303 1.00 0.00 H new ATOM 1436 N LYS A 91 5.716 2.477 -14.674 1.00 0.00 N ATOM 1437 CA LYS A 91 5.818 1.526 -15.820 1.00 0.00 C ATOM 1438 C LYS A 91 4.626 0.577 -15.789 1.00 0.00 C ATOM 1439 O LYS A 91 3.838 0.522 -16.713 1.00 0.00 O ATOM 1440 CB LYS A 91 7.117 0.720 -15.713 1.00 0.00 C ATOM 1441 CG LYS A 91 8.317 1.657 -15.864 1.00 0.00 C ATOM 1442 CD LYS A 91 8.730 2.184 -14.487 1.00 0.00 C ATOM 1443 CE LYS A 91 9.910 1.367 -13.958 1.00 0.00 C ATOM 1444 NZ LYS A 91 11.125 2.229 -13.906 1.00 0.00 N ATOM 0 H LYS A 91 5.607 2.043 -13.758 1.00 0.00 H new ATOM 0 HA LYS A 91 5.821 2.084 -16.756 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.161 0.208 -14.752 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.144 -0.049 -16.485 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.149 1.127 -16.327 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.063 2.488 -16.522 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.005 3.236 -14.557 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.890 2.119 -13.795 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.682 0.980 -12.965 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.089 0.506 -14.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.852 1.769 -13.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.493 2.369 -14.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.879 3.151 -13.492 1.00 0.00 H new ATOM 1458 N ASP A 92 4.472 -0.156 -14.725 1.00 0.00 N ATOM 1459 CA ASP A 92 3.314 -1.081 -14.628 1.00 0.00 C ATOM 1460 C ASP A 92 2.022 -0.260 -14.583 1.00 0.00 C ATOM 1461 O ASP A 92 0.932 -0.797 -14.617 1.00 0.00 O ATOM 1462 CB ASP A 92 3.432 -1.914 -13.351 1.00 0.00 C ATOM 1463 CG ASP A 92 3.253 -3.396 -13.687 1.00 0.00 C ATOM 1464 OD1 ASP A 92 2.176 -3.758 -14.133 1.00 0.00 O ATOM 1465 OD2 ASP A 92 4.197 -4.145 -13.493 1.00 0.00 O ATOM 0 H ASP A 92 5.097 -0.154 -13.919 1.00 0.00 H new ATOM 0 HA ASP A 92 3.300 -1.745 -15.492 1.00 0.00 H new ATOM 0 HB2 ASP A 92 4.405 -1.751 -12.887 1.00 0.00 H new ATOM 0 HB3 ASP A 92 2.678 -1.601 -12.629 1.00 0.00 H new ATOM 1470 N ASP A 93 2.134 1.044 -14.508 1.00 0.00 N ATOM 1471 CA ASP A 93 0.913 1.895 -14.463 1.00 0.00 C ATOM 1472 C ASP A 93 -0.095 1.389 -15.496 1.00 0.00 C ATOM 1473 O ASP A 93 0.232 1.181 -16.648 1.00 0.00 O ATOM 1474 CB ASP A 93 1.290 3.343 -14.783 1.00 0.00 C ATOM 1475 CG ASP A 93 0.209 4.286 -14.249 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -0.955 4.018 -14.491 1.00 0.00 O ATOM 1477 OD2 ASP A 93 0.565 5.261 -13.607 1.00 0.00 O ATOM 0 H ASP A 93 3.018 1.551 -14.476 1.00 0.00 H new ATOM 0 HA ASP A 93 0.470 1.847 -13.468 1.00 0.00 H new ATOM 0 HB2 ASP A 93 2.253 3.586 -14.334 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.399 3.471 -15.860 1.00 0.00 H new