USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=21 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 52 ASN : amide:sc= -0.376 K(o=-3,f=-11!) USER MOD Set 1.2: A 68 LYS NZ :NH3+ -162:sc= -0.815 (180deg=-2.46!) USER MOD Set 1.3: A 83 THR OG1 : rot 180:sc= -1.78! 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 -125:sc= -1.58! USER MOD Single : A 17 GLN :FLIP amide:sc= -6.77! C(o=-9.5!,f=-6.8!) 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 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 150:sc= -4.18! USER MOD Single : A 32 ASN : amide:sc= -8.24! C(o=-8.2!,f=-9.9!) USER MOD Single : A 34 THR OG1 : rot -49:sc= 0.654 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= -8.83! C(o=-9.8!,f=-8.8!) USER MOD Single : A 43 TYR OH : rot 180:sc= -1.42 USER MOD Single : A 44 LYS NZ :NH3+ -129:sc= -0.101 (180deg=-1.41) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 GLN :FLIP amide:sc= -1.05 F(o=-2.8!,f=-1.1) USER MOD Single : A 51 THR OG1 : rot 100:sc= 0.261 USER MOD Single : A 53 TYR OH : rot 180:sc= -1.61 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 62 ASN : amide:sc= -3.39 K(o=-3.4,f=-6.7!) USER MOD Single : A 63 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.511) USER MOD Single : A 64 TYR OH : rot 150:sc= -1.33 USER MOD Single : A 66 HIS : no HD1:sc= -6.59! C(o=-6.6!,f=-15!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 51:sc= 0.213 USER MOD Single : A 76 GLN : amide:sc= -0.0638 K(o=-0.064,f=-1.6!) USER MOD Single : A 77 ASN :FLIP amide:sc= -0.698 F(o=-1.3,f=-0.7) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.669 X(o=-0.67,f=-1.1) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.6!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 86 N SER A 7 -15.371 -5.156 -9.385 1.00 0.00 N ATOM 87 CA SER A 7 -16.305 -6.147 -8.778 1.00 0.00 C ATOM 88 C SER A 7 -15.816 -6.554 -7.382 1.00 0.00 C ATOM 89 O SER A 7 -16.191 -5.963 -6.388 1.00 0.00 O ATOM 90 CB SER A 7 -16.372 -7.387 -9.671 1.00 0.00 C ATOM 91 OG SER A 7 -17.315 -7.168 -10.710 1.00 0.00 O ATOM 0 HA SER A 7 -17.293 -5.696 -8.689 1.00 0.00 H new ATOM 0 HB2 SER A 7 -15.390 -7.598 -10.094 1.00 0.00 H new ATOM 0 HB3 SER A 7 -16.659 -8.258 -9.082 1.00 0.00 H new ATOM 0 HG SER A 7 -17.359 -7.961 -11.285 1.00 0.00 H new ATOM 97 N GLU A 8 -14.999 -7.571 -7.299 1.00 0.00 N ATOM 98 CA GLU A 8 -14.507 -8.030 -5.972 1.00 0.00 C ATOM 99 C GLU A 8 -13.216 -7.313 -5.587 1.00 0.00 C ATOM 100 O GLU A 8 -12.136 -7.839 -5.747 1.00 0.00 O ATOM 101 CB GLU A 8 -14.253 -9.541 -6.009 1.00 0.00 C ATOM 102 CG GLU A 8 -15.221 -10.201 -6.993 1.00 0.00 C ATOM 103 CD GLU A 8 -15.720 -11.524 -6.409 1.00 0.00 C ATOM 104 OE1 GLU A 8 -16.173 -11.516 -5.277 1.00 0.00 O ATOM 105 OE2 GLU A 8 -15.639 -12.524 -7.103 1.00 0.00 O ATOM 0 H GLU A 8 -14.652 -8.103 -8.097 1.00 0.00 H new ATOM 0 HA GLU A 8 -15.270 -7.798 -5.229 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -13.224 -9.740 -6.308 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -14.384 -9.966 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -16.063 -9.538 -7.191 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -14.723 -10.377 -7.947 1.00 0.00 H new ATOM 112 N ALA A 9 -13.314 -6.123 -5.060 1.00 0.00 N ATOM 113 CA ALA A 9 -12.084 -5.398 -4.648 1.00 0.00 C ATOM 114 C ALA A 9 -12.450 -4.026 -4.076 1.00 0.00 C ATOM 115 O ALA A 9 -13.495 -3.479 -4.368 1.00 0.00 O ATOM 116 CB ALA A 9 -11.176 -5.228 -5.859 1.00 0.00 C ATOM 0 H ALA A 9 -14.190 -5.625 -4.898 1.00 0.00 H new ATOM 0 HA ALA A 9 -11.566 -5.971 -3.879 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.271 -4.697 -5.564 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -10.909 -6.208 -6.254 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.697 -4.657 -6.627 1.00 0.00 H new ATOM 122 N LYS A 10 -11.593 -3.465 -3.264 1.00 0.00 N ATOM 123 CA LYS A 10 -11.890 -2.129 -2.671 1.00 0.00 C ATOM 124 C LYS A 10 -10.713 -1.179 -2.926 1.00 0.00 C ATOM 125 O LYS A 10 -9.644 -1.612 -3.306 1.00 0.00 O ATOM 126 CB LYS A 10 -12.114 -2.278 -1.166 1.00 0.00 C ATOM 127 CG LYS A 10 -13.603 -2.503 -0.895 1.00 0.00 C ATOM 128 CD LYS A 10 -13.860 -2.470 0.612 1.00 0.00 C ATOM 129 CE LYS A 10 -14.969 -1.463 0.916 1.00 0.00 C ATOM 130 NZ LYS A 10 -15.275 -1.486 2.375 1.00 0.00 N ATOM 0 H LYS A 10 -10.701 -3.874 -2.986 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.789 -1.719 -3.132 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -11.532 -3.116 -0.782 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -11.769 -1.385 -0.645 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -14.194 -1.734 -1.392 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -13.917 -3.462 -1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -14.146 -3.461 0.965 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.948 -2.194 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -14.659 -0.462 0.614 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -15.863 -1.706 0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.030 -0.801 2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -15.588 -2.439 2.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -14.421 -1.234 2.913 1.00 0.00 H new ATOM 144 N PRO A 11 -10.954 0.091 -2.717 1.00 0.00 N ATOM 145 CA PRO A 11 -9.938 1.143 -2.923 1.00 0.00 C ATOM 146 C PRO A 11 -8.957 1.198 -1.748 1.00 0.00 C ATOM 147 O PRO A 11 -9.298 1.630 -0.665 1.00 0.00 O ATOM 148 CB PRO A 11 -10.765 2.427 -3.004 1.00 0.00 C ATOM 149 CG PRO A 11 -12.104 2.132 -2.283 1.00 0.00 C ATOM 150 CD PRO A 11 -12.262 0.600 -2.255 1.00 0.00 C ATOM 0 HA PRO A 11 -9.327 0.974 -3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -10.242 3.256 -2.528 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -10.938 2.713 -4.042 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -12.097 2.539 -1.272 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.938 2.598 -2.809 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -12.497 0.242 -1.252 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -13.070 0.271 -2.908 1.00 0.00 H new ATOM 158 N ALA A 12 -7.739 0.774 -1.976 1.00 0.00 N ATOM 159 CA ALA A 12 -6.689 0.790 -0.911 1.00 0.00 C ATOM 160 C ALA A 12 -7.308 0.629 0.483 1.00 0.00 C ATOM 161 O ALA A 12 -7.753 1.588 1.084 1.00 0.00 O ATOM 162 CB ALA A 12 -5.932 2.113 -0.960 1.00 0.00 C ATOM 0 H ALA A 12 -7.422 0.410 -2.874 1.00 0.00 H new ATOM 0 HA ALA A 12 -6.012 -0.045 -1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.167 2.124 -0.183 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.460 2.226 -1.936 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.627 2.936 -0.796 1.00 0.00 H new ATOM 168 N THR A 13 -7.324 -0.562 1.011 1.00 0.00 N ATOM 169 CA THR A 13 -7.898 -0.761 2.375 1.00 0.00 C ATOM 170 C THR A 13 -6.911 -0.197 3.396 1.00 0.00 C ATOM 171 O THR A 13 -5.799 0.144 3.048 1.00 0.00 O ATOM 172 CB THR A 13 -8.097 -2.258 2.635 1.00 0.00 C ATOM 173 OG1 THR A 13 -7.617 -3.003 1.527 1.00 0.00 O ATOM 174 CG2 THR A 13 -9.582 -2.547 2.853 1.00 0.00 C ATOM 0 H THR A 13 -6.967 -1.405 0.561 1.00 0.00 H new ATOM 0 HA THR A 13 -8.860 -0.254 2.456 1.00 0.00 H new ATOM 0 HB THR A 13 -7.541 -2.548 3.527 1.00 0.00 H new ATOM 0 HG1 THR A 13 -8.325 -3.596 1.200 1.00 0.00 H new ATOM 0 HG21 THR A 13 -9.722 -3.612 3.038 1.00 0.00 H new ATOM 0 HG22 THR A 13 -9.941 -1.979 3.712 1.00 0.00 H new ATOM 0 HG23 THR A 13 -10.143 -2.256 1.965 1.00 0.00 H new ATOM 182 N PRO A 14 -7.323 -0.149 4.637 1.00 0.00 N ATOM 183 CA PRO A 14 -6.459 0.326 5.727 1.00 0.00 C ATOM 184 C PRO A 14 -5.425 -0.763 6.020 1.00 0.00 C ATOM 185 O PRO A 14 -4.516 -0.600 6.808 1.00 0.00 O ATOM 186 CB PRO A 14 -7.426 0.533 6.896 1.00 0.00 C ATOM 187 CG PRO A 14 -8.666 -0.339 6.591 1.00 0.00 C ATOM 188 CD PRO A 14 -8.669 -0.578 5.069 1.00 0.00 C ATOM 0 HA PRO A 14 -5.907 1.240 5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.965 0.238 7.839 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.703 1.583 6.991 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.618 -1.284 7.132 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.581 0.163 6.907 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.850 -1.626 4.830 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -9.450 0.001 4.576 1.00 0.00 H new ATOM 196 N GLU A 15 -5.580 -1.879 5.358 1.00 0.00 N ATOM 197 CA GLU A 15 -4.661 -3.027 5.516 1.00 0.00 C ATOM 198 C GLU A 15 -3.718 -3.052 4.315 1.00 0.00 C ATOM 199 O GLU A 15 -2.517 -2.910 4.439 1.00 0.00 O ATOM 200 CB GLU A 15 -5.521 -4.290 5.507 1.00 0.00 C ATOM 201 CG GLU A 15 -4.660 -5.527 5.230 1.00 0.00 C ATOM 202 CD GLU A 15 -5.565 -6.712 4.891 1.00 0.00 C ATOM 203 OE1 GLU A 15 -6.552 -6.896 5.584 1.00 0.00 O ATOM 204 OE2 GLU A 15 -5.255 -7.416 3.944 1.00 0.00 O ATOM 0 H GLU A 15 -6.336 -2.040 4.692 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.081 -2.959 6.436 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -6.026 -4.399 6.467 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -6.297 -4.203 4.747 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.976 -5.330 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -4.048 -5.760 6.102 1.00 0.00 H new ATOM 211 N ILE A 16 -4.273 -3.237 3.152 1.00 0.00 N ATOM 212 CA ILE A 16 -3.448 -3.277 1.909 1.00 0.00 C ATOM 213 C ILE A 16 -2.548 -2.051 1.848 1.00 0.00 C ATOM 214 O ILE A 16 -1.377 -2.145 1.552 1.00 0.00 O ATOM 215 CB ILE A 16 -4.371 -3.278 0.691 1.00 0.00 C ATOM 216 CG1 ILE A 16 -5.309 -4.479 0.774 1.00 0.00 C ATOM 217 CG2 ILE A 16 -3.532 -3.386 -0.582 1.00 0.00 C ATOM 218 CD1 ILE A 16 -4.495 -5.768 0.644 1.00 0.00 C ATOM 0 H ILE A 16 -5.274 -3.364 3.005 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.835 -4.178 1.914 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.951 -2.355 0.671 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -5.847 -4.470 1.722 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -6.057 -4.426 -0.018 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.189 -3.387 -1.452 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.851 -2.537 -0.642 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.957 -4.311 -0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.163 -6.628 0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.977 -5.776 -0.315 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -3.765 -5.820 1.451 1.00 0.00 H new ATOM 230 N GLN A 17 -3.085 -0.899 2.115 1.00 0.00 N ATOM 231 CA GLN A 17 -2.255 0.329 2.063 1.00 0.00 C ATOM 232 C GLN A 17 -1.096 0.206 3.053 1.00 0.00 C ATOM 233 O GLN A 17 -0.010 0.694 2.813 1.00 0.00 O ATOM 234 CB GLN A 17 -3.124 1.533 2.410 1.00 0.00 C ATOM 235 CG GLN A 17 -3.451 1.529 3.903 1.00 0.00 C ATOM 236 CD GLN A 17 -4.179 2.827 4.261 1.00 0.00 C ATOM 237 OE1 GLN A 17 -4.666 3.577 3.307 1.00 0.00 O flip ATOM 238 NE2 GLN A 17 -4.305 3.163 5.421 1.00 0.00 N flip ATOM 0 H GLN A 17 -4.063 -0.755 2.367 1.00 0.00 H new ATOM 0 HA GLN A 17 -1.846 0.460 1.061 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -2.605 2.454 2.145 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.045 1.507 1.828 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -4.074 0.669 4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -2.536 1.438 4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.925 2.578 6.165 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.791 4.030 5.651 1.00 0.00 H new ATOM 247 N GLU A 18 -1.306 -0.457 4.160 1.00 0.00 N ATOM 248 CA GLU A 18 -0.197 -0.615 5.141 1.00 0.00 C ATOM 249 C GLU A 18 0.944 -1.385 4.473 1.00 0.00 C ATOM 250 O GLU A 18 2.102 -1.181 4.773 1.00 0.00 O ATOM 251 CB GLU A 18 -0.694 -1.385 6.366 1.00 0.00 C ATOM 252 CG GLU A 18 -0.161 -0.719 7.636 1.00 0.00 C ATOM 253 CD GLU A 18 -0.831 0.643 7.819 1.00 0.00 C ATOM 254 OE1 GLU A 18 -1.550 1.053 6.921 1.00 0.00 O ATOM 255 OE2 GLU A 18 -0.615 1.254 8.853 1.00 0.00 O ATOM 0 H GLU A 18 -2.190 -0.892 4.424 1.00 0.00 H new ATOM 0 HA GLU A 18 0.156 0.365 5.462 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.784 -1.402 6.381 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.360 -2.421 6.318 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.358 -1.352 8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.920 -0.598 7.569 1.00 0.00 H new ATOM 262 N ILE A 19 0.622 -2.258 3.554 1.00 0.00 N ATOM 263 CA ILE A 19 1.688 -3.022 2.846 1.00 0.00 C ATOM 264 C ILE A 19 2.510 -2.035 2.024 1.00 0.00 C ATOM 265 O ILE A 19 3.710 -2.160 1.876 1.00 0.00 O ATOM 266 CB ILE A 19 1.041 -4.072 1.920 1.00 0.00 C ATOM 267 CG1 ILE A 19 2.002 -5.252 1.757 1.00 0.00 C ATOM 268 CG2 ILE A 19 0.737 -3.473 0.536 1.00 0.00 C ATOM 269 CD1 ILE A 19 3.345 -4.744 1.227 1.00 0.00 C ATOM 0 H ILE A 19 -0.332 -2.474 3.265 1.00 0.00 H new ATOM 0 HA ILE A 19 2.329 -3.538 3.561 1.00 0.00 H new ATOM 0 HB ILE A 19 0.104 -4.402 2.368 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.143 -5.755 2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.581 -5.986 1.070 1.00 0.00 H new ATOM 0 HG21 ILE A 19 0.281 -4.234 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 19 0.051 -2.633 0.646 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.663 -3.127 0.078 1.00 0.00 H new ATOM 0 HD11 ILE A 19 4.031 -5.583 1.110 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.196 -4.260 0.262 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.766 -4.026 1.931 1.00 0.00 H new ATOM 281 N VAL A 20 1.848 -1.049 1.494 1.00 0.00 N ATOM 282 CA VAL A 20 2.537 -0.024 0.677 1.00 0.00 C ATOM 283 C VAL A 20 3.500 0.747 1.579 1.00 0.00 C ATOM 284 O VAL A 20 4.396 1.411 1.118 1.00 0.00 O ATOM 285 CB VAL A 20 1.475 0.904 0.077 1.00 0.00 C ATOM 286 CG1 VAL A 20 2.076 2.272 -0.274 1.00 0.00 C ATOM 287 CG2 VAL A 20 0.906 0.256 -1.188 1.00 0.00 C ATOM 0 H VAL A 20 0.843 -0.910 1.596 1.00 0.00 H new ATOM 0 HA VAL A 20 3.108 -0.476 -0.134 1.00 0.00 H new ATOM 0 HB VAL A 20 0.685 1.056 0.812 1.00 0.00 H new ATOM 0 HG11 VAL A 20 1.302 2.912 -0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.476 2.736 0.628 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.877 2.142 -1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 20 0.149 0.909 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.708 0.100 -1.909 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.455 -0.703 -0.934 1.00 0.00 H new ATOM 297 N ASP A 21 3.322 0.649 2.867 1.00 0.00 N ATOM 298 CA ASP A 21 4.235 1.359 3.807 1.00 0.00 C ATOM 299 C ASP A 21 5.254 0.366 4.377 1.00 0.00 C ATOM 300 O ASP A 21 6.248 0.750 4.957 1.00 0.00 O ATOM 301 CB ASP A 21 3.418 1.962 4.952 1.00 0.00 C ATOM 302 CG ASP A 21 3.802 3.432 5.134 1.00 0.00 C ATOM 303 OD1 ASP A 21 3.687 4.177 4.174 1.00 0.00 O ATOM 304 OD2 ASP A 21 4.204 3.789 6.229 1.00 0.00 O ATOM 0 H ASP A 21 2.581 0.106 3.311 1.00 0.00 H new ATOM 0 HA ASP A 21 4.759 2.153 3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.353 1.877 4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.602 1.410 5.874 1.00 0.00 H new ATOM 309 N LYS A 22 5.011 -0.909 4.218 1.00 0.00 N ATOM 310 CA LYS A 22 5.964 -1.924 4.756 1.00 0.00 C ATOM 311 C LYS A 22 7.048 -2.222 3.717 1.00 0.00 C ATOM 312 O LYS A 22 8.184 -1.817 3.863 1.00 0.00 O ATOM 313 CB LYS A 22 5.206 -3.213 5.088 1.00 0.00 C ATOM 314 CG LYS A 22 5.548 -3.658 6.513 1.00 0.00 C ATOM 315 CD LYS A 22 4.570 -3.018 7.500 1.00 0.00 C ATOM 316 CE LYS A 22 5.226 -1.799 8.154 1.00 0.00 C ATOM 317 NZ LYS A 22 5.687 -2.160 9.524 1.00 0.00 N ATOM 0 H LYS A 22 4.195 -1.291 3.740 1.00 0.00 H new ATOM 0 HA LYS A 22 6.431 -1.533 5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.132 -3.050 4.995 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.472 -3.996 4.378 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.497 -4.744 6.588 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.570 -3.369 6.759 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.658 -2.719 6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.281 -3.741 8.263 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.069 -1.460 7.552 1.00 0.00 H new ATOM 0 HE3 LYS A 22 4.516 -0.973 8.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.133 -1.333 9.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.873 -2.464 10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.377 -2.935 9.465 1.00 0.00 H new ATOM 331 N VAL A 23 6.711 -2.931 2.673 1.00 0.00 N ATOM 332 CA VAL A 23 7.723 -3.256 1.632 1.00 0.00 C ATOM 333 C VAL A 23 7.816 -2.103 0.630 1.00 0.00 C ATOM 334 O VAL A 23 8.636 -2.111 -0.267 1.00 0.00 O ATOM 335 CB VAL A 23 7.301 -4.533 0.907 1.00 0.00 C ATOM 336 CG1 VAL A 23 8.519 -5.173 0.250 1.00 0.00 C ATOM 337 CG2 VAL A 23 6.698 -5.509 1.916 1.00 0.00 C ATOM 0 H VAL A 23 5.776 -3.299 2.498 1.00 0.00 H new ATOM 0 HA VAL A 23 8.697 -3.404 2.099 1.00 0.00 H new ATOM 0 HB VAL A 23 6.562 -4.291 0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.217 -6.084 -0.267 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.954 -4.476 -0.467 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.258 -5.417 1.013 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.395 -6.422 1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.440 -5.750 2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.828 -5.053 2.388 1.00 0.00 H new ATOM 347 N LYS A 24 6.988 -1.104 0.781 1.00 0.00 N ATOM 348 CA LYS A 24 7.030 0.053 -0.153 1.00 0.00 C ATOM 349 C LYS A 24 7.109 1.357 0.649 1.00 0.00 C ATOM 350 O LYS A 24 6.351 2.273 0.405 1.00 0.00 O ATOM 351 CB LYS A 24 5.755 0.059 -0.999 1.00 0.00 C ATOM 352 CG LYS A 24 5.765 -1.138 -1.951 1.00 0.00 C ATOM 353 CD LYS A 24 5.035 -2.313 -1.302 1.00 0.00 C ATOM 354 CE LYS A 24 4.251 -3.080 -2.367 1.00 0.00 C ATOM 355 NZ LYS A 24 4.866 -4.423 -2.564 1.00 0.00 N ATOM 0 H LYS A 24 6.282 -1.041 1.515 1.00 0.00 H new ATOM 0 HA LYS A 24 7.904 -0.030 -0.799 1.00 0.00 H new ATOM 0 HB2 LYS A 24 4.878 0.016 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 24 5.687 0.987 -1.566 1.00 0.00 H new ATOM 0 HG2 LYS A 24 5.283 -0.872 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 24 6.791 -1.420 -2.187 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.751 -2.975 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 24 4.358 -1.951 -0.528 1.00 0.00 H new ATOM 0 HE2 LYS A 24 3.210 -3.186 -2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.253 -2.526 -3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 4.333 -4.946 -3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.853 -4.311 -2.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 4.842 -4.951 -1.668 1.00 0.00 H new ATOM 369 N PRO A 25 8.030 1.415 1.582 1.00 0.00 N ATOM 370 CA PRO A 25 8.213 2.608 2.429 1.00 0.00 C ATOM 371 C PRO A 25 8.840 3.750 1.630 1.00 0.00 C ATOM 372 O PRO A 25 9.128 4.803 2.161 1.00 0.00 O ATOM 373 CB PRO A 25 9.147 2.125 3.540 1.00 0.00 C ATOM 374 CG PRO A 25 9.881 0.889 2.978 1.00 0.00 C ATOM 375 CD PRO A 25 8.979 0.319 1.868 1.00 0.00 C ATOM 0 HA PRO A 25 7.274 3.003 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 25 9.855 2.905 3.819 1.00 0.00 H new ATOM 0 HB3 PRO A 25 8.584 1.869 4.438 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.859 1.164 2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.051 0.149 3.760 1.00 0.00 H new ATOM 0 HD2 PRO A 25 9.556 0.050 0.983 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.461 -0.582 2.197 1.00 0.00 H new ATOM 383 N GLN A 26 9.019 3.568 0.352 1.00 0.00 N ATOM 384 CA GLN A 26 9.577 4.653 -0.478 1.00 0.00 C ATOM 385 C GLN A 26 8.548 4.919 -1.551 1.00 0.00 C ATOM 386 O GLN A 26 8.136 6.023 -1.778 1.00 0.00 O ATOM 387 CB GLN A 26 10.896 4.209 -1.113 1.00 0.00 C ATOM 388 CG GLN A 26 11.851 3.718 -0.023 1.00 0.00 C ATOM 389 CD GLN A 26 13.291 4.066 -0.408 1.00 0.00 C ATOM 390 OE1 GLN A 26 13.865 3.447 -1.281 1.00 0.00 O ATOM 391 NE2 GLN A 26 13.904 5.039 0.208 1.00 0.00 N ATOM 0 H GLN A 26 8.799 2.707 -0.149 1.00 0.00 H new ATOM 0 HA GLN A 26 9.784 5.545 0.113 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.714 3.414 -1.836 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.346 5.039 -1.658 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.597 4.179 0.932 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.749 2.641 0.106 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.424 5.561 0.942 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.863 5.278 -0.044 1.00 0.00 H new ATOM 400 N LEU A 27 8.090 3.880 -2.171 1.00 0.00 N ATOM 401 CA LEU A 27 7.053 4.020 -3.211 1.00 0.00 C ATOM 402 C LEU A 27 5.790 4.639 -2.593 1.00 0.00 C ATOM 403 O LEU A 27 4.891 5.074 -3.282 1.00 0.00 O ATOM 404 CB LEU A 27 6.746 2.618 -3.733 1.00 0.00 C ATOM 405 CG LEU A 27 8.059 1.913 -4.105 1.00 0.00 C ATOM 406 CD1 LEU A 27 7.914 0.403 -3.919 1.00 0.00 C ATOM 407 CD2 LEU A 27 8.401 2.220 -5.564 1.00 0.00 C ATOM 0 H LEU A 27 8.397 2.923 -1.997 1.00 0.00 H new ATOM 0 HA LEU A 27 7.392 4.666 -4.021 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.214 2.044 -2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.093 2.677 -4.604 1.00 0.00 H new ATOM 0 HG LEU A 27 8.857 2.274 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.850 -0.088 -4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.674 0.186 -2.878 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.115 0.032 -4.561 1.00 0.00 H new ATOM 0 HD21 LEU A 27 9.332 1.721 -5.832 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.599 1.861 -6.209 1.00 0.00 H new ATOM 0 HD23 LEU A 27 8.516 3.296 -5.692 1.00 0.00 H new ATOM 419 N GLU A 28 5.720 4.657 -1.288 1.00 0.00 N ATOM 420 CA GLU A 28 4.524 5.216 -0.587 1.00 0.00 C ATOM 421 C GLU A 28 4.721 6.694 -0.216 1.00 0.00 C ATOM 422 O GLU A 28 3.774 7.381 0.112 1.00 0.00 O ATOM 423 CB GLU A 28 4.282 4.407 0.689 1.00 0.00 C ATOM 424 CG GLU A 28 3.006 4.897 1.373 1.00 0.00 C ATOM 425 CD GLU A 28 3.337 6.086 2.277 1.00 0.00 C ATOM 426 OE1 GLU A 28 4.513 6.365 2.446 1.00 0.00 O ATOM 427 OE2 GLU A 28 2.411 6.697 2.780 1.00 0.00 O ATOM 0 H GLU A 28 6.450 4.304 -0.669 1.00 0.00 H new ATOM 0 HA GLU A 28 3.669 5.150 -1.260 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.194 3.348 0.449 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.131 4.511 1.364 1.00 0.00 H new ATOM 0 HG2 GLU A 28 2.269 5.189 0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.563 4.092 1.960 1.00 0.00 H new ATOM 434 N GLU A 29 5.925 7.199 -0.253 1.00 0.00 N ATOM 435 CA GLU A 29 6.129 8.632 0.117 1.00 0.00 C ATOM 436 C GLU A 29 7.132 9.224 -0.851 1.00 0.00 C ATOM 437 O GLU A 29 7.871 10.138 -0.542 1.00 0.00 O ATOM 438 CB GLU A 29 6.662 8.731 1.548 1.00 0.00 C ATOM 439 CG GLU A 29 8.104 8.226 1.595 1.00 0.00 C ATOM 440 CD GLU A 29 8.572 8.156 3.052 1.00 0.00 C ATOM 441 OE1 GLU A 29 8.223 7.198 3.720 1.00 0.00 O ATOM 442 OE2 GLU A 29 9.272 9.063 3.471 1.00 0.00 O ATOM 0 H GLU A 29 6.768 6.690 -0.520 1.00 0.00 H new ATOM 0 HA GLU A 29 5.186 9.176 0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.617 9.764 1.893 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.038 8.143 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.171 7.241 1.132 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.753 8.891 1.025 1.00 0.00 H new ATOM 449 N LYS A 30 7.160 8.678 -2.021 1.00 0.00 N ATOM 450 CA LYS A 30 8.097 9.140 -3.060 1.00 0.00 C ATOM 451 C LYS A 30 7.318 9.908 -4.101 1.00 0.00 C ATOM 452 O LYS A 30 7.521 11.088 -4.304 1.00 0.00 O ATOM 453 CB LYS A 30 8.715 7.902 -3.682 1.00 0.00 C ATOM 454 CG LYS A 30 10.104 8.223 -4.235 1.00 0.00 C ATOM 455 CD LYS A 30 9.971 8.805 -5.644 1.00 0.00 C ATOM 456 CE LYS A 30 10.883 8.037 -6.603 1.00 0.00 C ATOM 457 NZ LYS A 30 11.821 8.987 -7.266 1.00 0.00 N ATOM 0 H LYS A 30 6.555 7.909 -2.308 1.00 0.00 H new ATOM 0 HA LYS A 30 8.872 9.787 -2.649 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.787 7.110 -2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.075 7.530 -4.482 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.611 8.934 -3.583 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.715 7.321 -4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.936 8.740 -5.979 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.239 9.862 -5.639 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.443 7.277 -6.058 1.00 0.00 H new ATOM 0 HE3 LYS A 30 10.285 7.517 -7.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 12.441 8.465 -7.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.278 9.696 -7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.400 9.463 -6.545 1.00 0.00 H new ATOM 471 N THR A 31 6.399 9.250 -4.739 1.00 0.00 N ATOM 472 CA THR A 31 5.560 9.939 -5.742 1.00 0.00 C ATOM 473 C THR A 31 5.129 11.267 -5.129 1.00 0.00 C ATOM 474 O THR A 31 4.954 12.260 -5.806 1.00 0.00 O ATOM 475 CB THR A 31 4.351 9.054 -6.046 1.00 0.00 C ATOM 476 OG1 THR A 31 3.839 9.371 -7.332 1.00 0.00 O ATOM 477 CG2 THR A 31 3.257 9.257 -4.993 1.00 0.00 C ATOM 0 H THR A 31 6.193 8.260 -4.607 1.00 0.00 H new ATOM 0 HA THR A 31 6.095 10.123 -6.674 1.00 0.00 H new ATOM 0 HB THR A 31 4.668 8.011 -6.024 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.437 8.571 -7.731 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.405 8.619 -5.226 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.647 8.997 -4.009 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.940 10.300 -4.994 1.00 0.00 H new ATOM 485 N ASN A 32 5.001 11.270 -3.824 1.00 0.00 N ATOM 486 CA ASN A 32 4.626 12.505 -3.087 1.00 0.00 C ATOM 487 C ASN A 32 3.681 13.356 -3.936 1.00 0.00 C ATOM 488 O ASN A 32 3.824 14.557 -4.026 1.00 0.00 O ATOM 489 CB ASN A 32 5.910 13.279 -2.770 1.00 0.00 C ATOM 490 CG ASN A 32 6.573 13.742 -4.071 1.00 0.00 C ATOM 491 OD1 ASN A 32 5.915 14.244 -4.959 1.00 0.00 O ATOM 492 ND2 ASN A 32 7.860 13.590 -4.219 1.00 0.00 N ATOM 0 H ASN A 32 5.144 10.451 -3.233 1.00 0.00 H new ATOM 0 HA ASN A 32 4.108 12.252 -2.162 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.681 14.140 -2.142 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.596 12.647 -2.206 1.00 0.00 H new ATOM 0 HD21 ASN A 32 8.314 13.893 -5.081 1.00 0.00 H new ATOM 0 HD22 ASN A 32 8.413 13.168 -3.473 1.00 0.00 H new ATOM 499 N GLU A 33 2.713 12.738 -4.560 1.00 0.00 N ATOM 500 CA GLU A 33 1.766 13.521 -5.404 1.00 0.00 C ATOM 501 C GLU A 33 0.872 14.375 -4.502 1.00 0.00 C ATOM 502 O GLU A 33 0.874 14.225 -3.296 1.00 0.00 O ATOM 503 CB GLU A 33 0.909 12.569 -6.233 1.00 0.00 C ATOM 504 CG GLU A 33 0.244 11.554 -5.308 1.00 0.00 C ATOM 505 CD GLU A 33 -1.259 11.549 -5.565 1.00 0.00 C ATOM 506 OE1 GLU A 33 -1.656 11.899 -6.664 1.00 0.00 O ATOM 507 OE2 GLU A 33 -1.988 11.186 -4.661 1.00 0.00 O ATOM 0 H GLU A 33 2.539 11.734 -4.522 1.00 0.00 H new ATOM 0 HA GLU A 33 2.327 14.170 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.152 13.128 -6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 33 1.525 12.056 -6.972 1.00 0.00 H new ATOM 0 HG2 GLU A 33 0.658 10.561 -5.481 1.00 0.00 H new ATOM 0 HG3 GLU A 33 0.446 11.806 -4.267 1.00 0.00 H new ATOM 514 N THR A 34 0.113 15.275 -5.069 1.00 0.00 N ATOM 515 CA THR A 34 -0.766 16.136 -4.228 1.00 0.00 C ATOM 516 C THR A 34 -2.174 15.542 -4.160 1.00 0.00 C ATOM 517 O THR A 34 -3.161 16.251 -4.174 1.00 0.00 O ATOM 518 CB THR A 34 -0.825 17.549 -4.818 1.00 0.00 C ATOM 519 OG1 THR A 34 -1.554 18.394 -3.941 1.00 0.00 O ATOM 520 CG2 THR A 34 -1.512 17.511 -6.183 1.00 0.00 C ATOM 0 H THR A 34 0.064 15.450 -6.073 1.00 0.00 H new ATOM 0 HA THR A 34 -0.355 16.185 -3.220 1.00 0.00 H new ATOM 0 HB THR A 34 0.188 17.934 -4.938 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.396 17.959 -3.693 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.552 18.518 -6.599 1.00 0.00 H new ATOM 0 HG22 THR A 34 -0.950 16.863 -6.855 1.00 0.00 H new ATOM 0 HG23 THR A 34 -2.525 17.125 -6.070 1.00 0.00 H new ATOM 528 N TYR A 35 -2.272 14.247 -4.064 1.00 0.00 N ATOM 529 CA TYR A 35 -3.610 13.599 -3.965 1.00 0.00 C ATOM 530 C TYR A 35 -3.507 12.420 -3.011 1.00 0.00 C ATOM 531 O TYR A 35 -2.618 12.345 -2.186 1.00 0.00 O ATOM 532 CB TYR A 35 -4.068 13.066 -5.331 1.00 0.00 C ATOM 533 CG TYR A 35 -3.727 14.046 -6.431 1.00 0.00 C ATOM 534 CD1 TYR A 35 -2.392 14.363 -6.712 1.00 0.00 C ATOM 535 CD2 TYR A 35 -4.755 14.629 -7.183 1.00 0.00 C ATOM 536 CE1 TYR A 35 -2.088 15.262 -7.742 1.00 0.00 C ATOM 537 CE2 TYR A 35 -4.451 15.525 -8.211 1.00 0.00 C ATOM 538 CZ TYR A 35 -3.118 15.843 -8.491 1.00 0.00 C ATOM 539 OH TYR A 35 -2.819 16.726 -9.508 1.00 0.00 O ATOM 0 H TYR A 35 -1.479 13.605 -4.050 1.00 0.00 H new ATOM 0 HA TYR A 35 -4.328 14.339 -3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -3.590 12.107 -5.531 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.143 12.889 -5.316 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -1.597 13.914 -6.135 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.785 14.385 -6.968 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -1.059 15.507 -7.958 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.246 15.972 -8.790 1.00 0.00 H new ATOM 0 HH TYR A 35 -3.649 17.035 -9.927 1.00 0.00 H new ATOM 549 N GLY A 36 -4.393 11.481 -3.141 1.00 0.00 N ATOM 550 CA GLY A 36 -4.339 10.283 -2.271 1.00 0.00 C ATOM 551 C GLY A 36 -3.915 9.097 -3.132 1.00 0.00 C ATOM 552 O GLY A 36 -4.713 8.246 -3.466 1.00 0.00 O ATOM 0 H GLY A 36 -5.157 11.492 -3.817 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.631 10.435 -1.456 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -5.312 10.097 -1.818 1.00 0.00 H new ATOM 556 N LYS A 37 -2.661 9.030 -3.498 1.00 0.00 N ATOM 557 CA LYS A 37 -2.203 7.900 -4.330 1.00 0.00 C ATOM 558 C LYS A 37 -0.863 7.452 -3.768 1.00 0.00 C ATOM 559 O LYS A 37 -0.005 6.954 -4.446 1.00 0.00 O ATOM 560 CB LYS A 37 -2.050 8.348 -5.782 1.00 0.00 C ATOM 561 CG LYS A 37 -3.431 8.514 -6.415 1.00 0.00 C ATOM 562 CD LYS A 37 -3.355 9.570 -7.520 1.00 0.00 C ATOM 563 CE LYS A 37 -4.514 10.556 -7.367 1.00 0.00 C ATOM 564 NZ LYS A 37 -5.725 10.005 -8.039 1.00 0.00 N ATOM 0 H LYS A 37 -1.943 9.712 -3.253 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.922 7.081 -4.311 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.503 9.289 -5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.469 7.614 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -3.772 7.564 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.157 8.813 -5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.404 10.100 -7.466 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.398 9.091 -8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -4.719 10.732 -6.311 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -4.248 11.518 -7.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.514 10.674 -7.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -5.525 9.858 -9.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -5.982 9.097 -7.602 1.00 0.00 H new ATOM 578 N LEU A 38 -0.690 7.663 -2.514 1.00 0.00 N ATOM 579 CA LEU A 38 0.558 7.316 -1.838 1.00 0.00 C ATOM 580 C LEU A 38 0.268 6.159 -0.900 1.00 0.00 C ATOM 581 O LEU A 38 0.399 6.275 0.302 1.00 0.00 O ATOM 582 CB LEU A 38 0.935 8.525 -1.017 1.00 0.00 C ATOM 583 CG LEU A 38 0.702 9.826 -1.817 1.00 0.00 C ATOM 584 CD1 LEU A 38 0.866 9.611 -3.330 1.00 0.00 C ATOM 585 CD2 LEU A 38 -0.681 10.395 -1.506 1.00 0.00 C ATOM 0 H LEU A 38 -1.395 8.080 -1.906 1.00 0.00 H new ATOM 0 HA LEU A 38 1.350 7.041 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.345 8.546 -0.100 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.982 8.457 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 38 1.463 10.542 -1.508 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.693 10.552 -3.852 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.876 9.260 -3.540 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.145 8.869 -3.672 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.834 11.312 -2.076 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.444 9.666 -1.780 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.753 10.614 -0.441 1.00 0.00 H new ATOM 597 N GLU A 39 -0.178 5.064 -1.421 1.00 0.00 N ATOM 598 CA GLU A 39 -0.533 3.938 -0.535 1.00 0.00 C ATOM 599 C GLU A 39 -1.039 2.785 -1.388 1.00 0.00 C ATOM 600 O GLU A 39 -0.680 2.655 -2.542 1.00 0.00 O ATOM 601 CB GLU A 39 -1.632 4.425 0.411 1.00 0.00 C ATOM 602 CG GLU A 39 -1.164 4.252 1.858 1.00 0.00 C ATOM 603 CD GLU A 39 -2.280 4.675 2.813 1.00 0.00 C ATOM 604 OE1 GLU A 39 -3.224 5.297 2.354 1.00 0.00 O ATOM 605 OE2 GLU A 39 -2.167 4.376 3.989 1.00 0.00 O ATOM 0 H GLU A 39 -0.312 4.899 -2.419 1.00 0.00 H new ATOM 0 HA GLU A 39 0.327 3.595 0.041 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.861 5.472 0.213 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.549 3.861 0.243 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.890 3.213 2.040 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.272 4.853 2.036 1.00 0.00 H new ATOM 612 N ALA A 40 -1.881 1.962 -0.854 1.00 0.00 N ATOM 613 CA ALA A 40 -2.413 0.841 -1.670 1.00 0.00 C ATOM 614 C ALA A 40 -3.385 1.407 -2.706 1.00 0.00 C ATOM 615 O ALA A 40 -3.950 2.463 -2.527 1.00 0.00 O ATOM 616 CB ALA A 40 -3.151 -0.148 -0.769 1.00 0.00 C ATOM 0 H ALA A 40 -2.225 2.011 0.105 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.592 0.325 -2.168 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.540 -0.969 -1.372 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.463 -0.541 -0.020 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.977 0.360 -0.271 1.00 0.00 H new ATOM 622 N VAL A 41 -3.590 0.706 -3.780 1.00 0.00 N ATOM 623 CA VAL A 41 -4.534 1.190 -4.823 1.00 0.00 C ATOM 624 C VAL A 41 -5.848 0.456 -4.626 1.00 0.00 C ATOM 625 O VAL A 41 -6.921 1.000 -4.792 1.00 0.00 O ATOM 626 CB VAL A 41 -3.951 0.876 -6.220 1.00 0.00 C ATOM 627 CG1 VAL A 41 -4.831 -0.121 -6.960 1.00 0.00 C ATOM 628 CG2 VAL A 41 -3.881 2.156 -7.049 1.00 0.00 C ATOM 0 H VAL A 41 -3.142 -0.188 -3.984 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.689 2.266 -4.746 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.956 0.453 -6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.402 -0.327 -7.940 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.892 -1.047 -6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -5.831 0.296 -7.082 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.470 1.930 -8.033 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.882 2.572 -7.161 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.241 2.881 -6.546 1.00 0.00 H new ATOM 638 N GLN A 42 -5.749 -0.791 -4.298 1.00 0.00 N ATOM 639 CA GLN A 42 -6.973 -1.606 -4.112 1.00 0.00 C ATOM 640 C GLN A 42 -6.565 -3.070 -4.009 1.00 0.00 C ATOM 641 O GLN A 42 -5.451 -3.442 -4.321 1.00 0.00 O ATOM 642 CB GLN A 42 -7.914 -1.356 -5.314 1.00 0.00 C ATOM 643 CG GLN A 42 -8.440 -2.675 -5.923 1.00 0.00 C ATOM 644 CD GLN A 42 -7.298 -3.383 -6.656 1.00 0.00 C ATOM 645 OE1 GLN A 42 -7.047 -4.631 -6.379 1.00 0.00 O flip ATOM 646 NE2 GLN A 42 -6.633 -2.797 -7.486 1.00 0.00 N flip ATOM 0 H GLN A 42 -4.870 -1.286 -4.149 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.503 -1.333 -3.200 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.757 -0.744 -4.993 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.382 -0.790 -6.079 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.838 -3.318 -5.138 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.259 -2.470 -6.613 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.831 -1.820 -7.701 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.876 -3.282 -7.968 1.00 0.00 H new ATOM 655 N TYR A 43 -7.461 -3.899 -3.584 1.00 0.00 N ATOM 656 CA TYR A 43 -7.138 -5.334 -3.469 1.00 0.00 C ATOM 657 C TYR A 43 -8.379 -6.148 -3.807 1.00 0.00 C ATOM 658 O TYR A 43 -9.391 -6.064 -3.140 1.00 0.00 O ATOM 659 CB TYR A 43 -6.703 -5.639 -2.047 1.00 0.00 C ATOM 660 CG TYR A 43 -7.846 -5.338 -1.107 1.00 0.00 C ATOM 661 CD1 TYR A 43 -8.337 -4.028 -0.989 1.00 0.00 C ATOM 662 CD2 TYR A 43 -8.421 -6.369 -0.360 1.00 0.00 C ATOM 663 CE1 TYR A 43 -9.403 -3.758 -0.124 1.00 0.00 C ATOM 664 CE2 TYR A 43 -9.485 -6.097 0.508 1.00 0.00 C ATOM 665 CZ TYR A 43 -9.977 -4.792 0.625 1.00 0.00 C ATOM 666 OH TYR A 43 -11.027 -4.525 1.479 1.00 0.00 O ATOM 0 H TYR A 43 -8.409 -3.643 -3.310 1.00 0.00 H new ATOM 0 HA TYR A 43 -6.331 -5.590 -4.156 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -6.409 -6.685 -1.959 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -5.831 -5.040 -1.783 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -7.893 -3.230 -1.565 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -8.044 -7.377 -0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -9.783 -2.751 -0.034 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -9.926 -6.894 1.088 1.00 0.00 H new ATOM 0 HH TYR A 43 -11.308 -5.353 1.921 1.00 0.00 H new ATOM 676 N LYS A 44 -8.315 -6.931 -4.842 1.00 0.00 N ATOM 677 CA LYS A 44 -9.494 -7.741 -5.216 1.00 0.00 C ATOM 678 C LYS A 44 -9.367 -9.105 -4.543 1.00 0.00 C ATOM 679 O LYS A 44 -8.294 -9.521 -4.157 1.00 0.00 O ATOM 680 CB LYS A 44 -9.560 -7.894 -6.748 1.00 0.00 C ATOM 681 CG LYS A 44 -10.199 -9.237 -7.139 1.00 0.00 C ATOM 682 CD LYS A 44 -10.746 -9.147 -8.562 1.00 0.00 C ATOM 683 CE LYS A 44 -12.050 -8.347 -8.552 1.00 0.00 C ATOM 684 NZ LYS A 44 -12.884 -8.742 -9.721 1.00 0.00 N ATOM 0 H LYS A 44 -7.498 -7.043 -5.442 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.412 -7.253 -4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.138 -7.074 -7.175 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -8.556 -7.829 -7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.461 -10.036 -7.072 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.002 -9.486 -6.445 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.017 -8.667 -9.215 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.922 -10.146 -8.960 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.594 -8.530 -7.625 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.834 -7.279 -8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.184 -7.890 -10.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.328 -9.353 -10.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.723 -9.259 -9.390 1.00 0.00 H new ATOM 698 N THR A 45 -10.447 -9.805 -4.396 1.00 0.00 N ATOM 699 CA THR A 45 -10.368 -11.140 -3.745 1.00 0.00 C ATOM 700 C THR A 45 -10.957 -12.202 -4.669 1.00 0.00 C ATOM 701 O THR A 45 -11.944 -11.985 -5.344 1.00 0.00 O ATOM 702 CB THR A 45 -11.147 -11.118 -2.430 1.00 0.00 C ATOM 703 OG1 THR A 45 -12.051 -10.021 -2.434 1.00 0.00 O ATOM 704 CG2 THR A 45 -10.173 -10.975 -1.259 1.00 0.00 C ATOM 0 H THR A 45 -11.379 -9.517 -4.695 1.00 0.00 H new ATOM 0 HA THR A 45 -9.323 -11.378 -3.544 1.00 0.00 H new ATOM 0 HB THR A 45 -11.705 -12.048 -2.323 1.00 0.00 H new ATOM 0 HG1 THR A 45 -12.552 -10.007 -1.592 1.00 0.00 H new ATOM 0 HG21 THR A 45 -10.730 -10.959 -0.322 1.00 0.00 H new ATOM 0 HG22 THR A 45 -9.481 -11.818 -1.256 1.00 0.00 H new ATOM 0 HG23 THR A 45 -9.613 -10.046 -1.363 1.00 0.00 H new ATOM 712 N GLN A 46 -10.352 -13.353 -4.695 1.00 0.00 N ATOM 713 CA GLN A 46 -10.854 -14.450 -5.561 1.00 0.00 C ATOM 714 C GLN A 46 -10.261 -15.766 -5.060 1.00 0.00 C ATOM 715 O GLN A 46 -9.063 -15.911 -4.970 1.00 0.00 O ATOM 716 CB GLN A 46 -10.420 -14.202 -7.007 1.00 0.00 C ATOM 717 CG GLN A 46 -8.918 -13.920 -7.045 1.00 0.00 C ATOM 718 CD GLN A 46 -8.643 -12.741 -7.980 1.00 0.00 C ATOM 719 OE1 GLN A 46 -8.001 -11.700 -7.525 1.00 0.00 O flip ATOM 720 NE2 GLN A 46 -9.019 -12.766 -9.136 1.00 0.00 N flip ATOM 0 H GLN A 46 -9.523 -13.583 -4.147 1.00 0.00 H new ATOM 0 HA GLN A 46 -11.943 -14.493 -5.524 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -10.654 -15.071 -7.623 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.970 -13.358 -7.424 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.554 -13.695 -6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.380 -14.803 -7.389 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.521 -13.580 -9.492 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.833 -11.973 -9.750 1.00 0.00 H new ATOM 729 N VAL A 47 -11.090 -16.715 -4.722 1.00 0.00 N ATOM 730 CA VAL A 47 -10.572 -18.024 -4.209 1.00 0.00 C ATOM 731 C VAL A 47 -9.637 -18.642 -5.231 1.00 0.00 C ATOM 732 O VAL A 47 -9.038 -17.953 -6.029 1.00 0.00 O ATOM 733 CB VAL A 47 -11.735 -18.986 -3.920 1.00 0.00 C ATOM 734 CG1 VAL A 47 -11.367 -19.896 -2.746 1.00 0.00 C ATOM 735 CG2 VAL A 47 -12.994 -18.196 -3.552 1.00 0.00 C ATOM 0 H VAL A 47 -12.106 -16.644 -4.777 1.00 0.00 H new ATOM 0 HA VAL A 47 -10.028 -17.845 -3.282 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.926 -19.582 -4.812 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -12.192 -20.578 -2.542 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -10.475 -20.470 -2.997 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -11.171 -19.289 -1.862 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -13.811 -18.888 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -12.799 -17.594 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -13.269 -17.543 -4.380 1.00 0.00 H new ATOM 745 N VAL A 48 -9.481 -19.937 -5.170 1.00 0.00 N ATOM 746 CA VAL A 48 -8.556 -20.649 -6.091 1.00 0.00 C ATOM 747 C VAL A 48 -8.292 -22.028 -5.490 1.00 0.00 C ATOM 748 O VAL A 48 -8.384 -23.054 -6.134 1.00 0.00 O ATOM 749 CB VAL A 48 -7.234 -19.845 -6.180 1.00 0.00 C ATOM 750 CG1 VAL A 48 -6.104 -20.509 -5.387 1.00 0.00 C ATOM 751 CG2 VAL A 48 -6.817 -19.702 -7.645 1.00 0.00 C ATOM 0 H VAL A 48 -9.966 -20.541 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.978 -20.748 -7.091 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.414 -18.863 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.197 -19.912 -5.477 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -6.389 -20.580 -4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.921 -21.509 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -5.887 -19.136 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.669 -20.691 -8.079 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.597 -19.177 -8.196 1.00 0.00 H new ATOM 761 N ALA A 49 -7.939 -22.006 -4.245 1.00 0.00 N ATOM 762 CA ALA A 49 -7.608 -23.240 -3.485 1.00 0.00 C ATOM 763 C ALA A 49 -6.675 -22.807 -2.360 1.00 0.00 C ATOM 764 O ALA A 49 -5.609 -23.349 -2.157 1.00 0.00 O ATOM 765 CB ALA A 49 -6.897 -24.247 -4.391 1.00 0.00 C ATOM 0 H ALA A 49 -7.862 -21.149 -3.697 1.00 0.00 H new ATOM 0 HA ALA A 49 -8.508 -23.720 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -6.661 -25.146 -3.821 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.547 -24.507 -5.226 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.976 -23.806 -4.772 1.00 0.00 H new ATOM 771 N GLY A 50 -7.075 -21.784 -1.665 1.00 0.00 N ATOM 772 CA GLY A 50 -6.252 -21.211 -0.564 1.00 0.00 C ATOM 773 C GLY A 50 -6.690 -19.757 -0.402 1.00 0.00 C ATOM 774 O GLY A 50 -6.616 -19.188 0.667 1.00 0.00 O ATOM 0 H GLY A 50 -7.963 -21.306 -1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.403 -21.766 0.362 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -5.190 -21.271 -0.802 1.00 0.00 H new ATOM 778 N THR A 51 -7.168 -19.187 -1.492 1.00 0.00 N ATOM 779 CA THR A 51 -7.677 -17.782 -1.526 1.00 0.00 C ATOM 780 C THR A 51 -6.678 -16.864 -2.230 1.00 0.00 C ATOM 781 O THR A 51 -5.716 -16.403 -1.641 1.00 0.00 O ATOM 782 CB THR A 51 -7.937 -17.262 -0.122 1.00 0.00 C ATOM 783 OG1 THR A 51 -8.712 -18.210 0.600 1.00 0.00 O ATOM 784 CG2 THR A 51 -8.695 -15.937 -0.207 1.00 0.00 C ATOM 0 H THR A 51 -7.225 -19.665 -2.392 1.00 0.00 H new ATOM 0 HA THR A 51 -8.616 -17.785 -2.080 1.00 0.00 H new ATOM 0 HB THR A 51 -6.989 -17.107 0.392 1.00 0.00 H new ATOM 0 HG1 THR A 51 -8.126 -18.735 1.184 1.00 0.00 H new ATOM 0 HG21 THR A 51 -8.884 -15.561 0.798 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.099 -15.211 -0.760 1.00 0.00 H new ATOM 0 HG23 THR A 51 -9.644 -16.093 -0.720 1.00 0.00 H new ATOM 792 N ASN A 52 -6.907 -16.587 -3.487 1.00 0.00 N ATOM 793 CA ASN A 52 -5.984 -15.685 -4.234 1.00 0.00 C ATOM 794 C ASN A 52 -6.256 -14.225 -3.844 1.00 0.00 C ATOM 795 O ASN A 52 -7.370 -13.855 -3.528 1.00 0.00 O ATOM 796 CB ASN A 52 -6.233 -15.842 -5.732 1.00 0.00 C ATOM 797 CG ASN A 52 -4.896 -15.883 -6.474 1.00 0.00 C ATOM 798 OD1 ASN A 52 -4.611 -15.022 -7.281 1.00 0.00 O ATOM 799 ND2 ASN A 52 -4.059 -16.854 -6.231 1.00 0.00 N ATOM 0 H ASN A 52 -7.693 -16.947 -4.028 1.00 0.00 H new ATOM 0 HA ASN A 52 -4.954 -15.946 -3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.795 -16.756 -5.923 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.839 -15.013 -6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -3.164 -16.890 -6.719 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.299 -17.577 -5.553 1.00 0.00 H new ATOM 806 N TYR A 53 -5.252 -13.389 -3.889 1.00 0.00 N ATOM 807 CA TYR A 53 -5.457 -11.949 -3.549 1.00 0.00 C ATOM 808 C TYR A 53 -4.761 -11.085 -4.598 1.00 0.00 C ATOM 809 O TYR A 53 -3.641 -11.344 -4.991 1.00 0.00 O ATOM 810 CB TYR A 53 -4.869 -11.622 -2.171 1.00 0.00 C ATOM 811 CG TYR A 53 -5.389 -12.590 -1.134 1.00 0.00 C ATOM 812 CD1 TYR A 53 -6.763 -12.670 -0.876 1.00 0.00 C ATOM 813 CD2 TYR A 53 -4.496 -13.398 -0.420 1.00 0.00 C ATOM 814 CE1 TYR A 53 -7.242 -13.560 0.091 1.00 0.00 C ATOM 815 CE2 TYR A 53 -4.975 -14.286 0.549 1.00 0.00 C ATOM 816 CZ TYR A 53 -6.347 -14.367 0.804 1.00 0.00 C ATOM 817 OH TYR A 53 -6.816 -15.243 1.762 1.00 0.00 O ATOM 0 H TYR A 53 -4.298 -13.641 -4.147 1.00 0.00 H new ATOM 0 HA TYR A 53 -6.528 -11.746 -3.531 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.781 -11.672 -2.212 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.131 -10.602 -1.889 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -7.453 -12.045 -1.423 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -3.436 -13.336 -0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.302 -13.625 0.288 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -4.285 -14.908 1.100 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.062 -15.727 2.160 1.00 0.00 H new ATOM 827 N TYR A 54 -5.420 -10.062 -5.051 1.00 0.00 N ATOM 828 CA TYR A 54 -4.814 -9.169 -6.076 1.00 0.00 C ATOM 829 C TYR A 54 -4.555 -7.798 -5.445 1.00 0.00 C ATOM 830 O TYR A 54 -5.420 -6.948 -5.427 1.00 0.00 O ATOM 831 CB TYR A 54 -5.796 -9.023 -7.236 1.00 0.00 C ATOM 832 CG TYR A 54 -5.072 -9.198 -8.549 1.00 0.00 C ATOM 833 CD1 TYR A 54 -4.690 -10.476 -8.972 1.00 0.00 C ATOM 834 CD2 TYR A 54 -4.789 -8.082 -9.348 1.00 0.00 C ATOM 835 CE1 TYR A 54 -4.022 -10.639 -10.192 1.00 0.00 C ATOM 836 CE2 TYR A 54 -4.120 -8.246 -10.566 1.00 0.00 C ATOM 837 CZ TYR A 54 -3.738 -9.524 -10.989 1.00 0.00 C ATOM 838 OH TYR A 54 -3.082 -9.687 -12.192 1.00 0.00 O ATOM 0 H TYR A 54 -6.361 -9.802 -4.754 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.875 -9.586 -6.439 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.590 -9.765 -7.147 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.271 -8.042 -7.201 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -4.910 -11.337 -8.358 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -5.087 -7.096 -9.024 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -3.726 -11.625 -10.518 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -3.898 -7.386 -11.180 1.00 0.00 H new ATOM 0 HH TYR A 54 -2.964 -8.814 -12.621 1.00 0.00 H new ATOM 848 N ILE A 55 -3.385 -7.577 -4.903 1.00 0.00 N ATOM 849 CA ILE A 55 -3.112 -6.269 -4.253 1.00 0.00 C ATOM 850 C ILE A 55 -2.450 -5.298 -5.224 1.00 0.00 C ATOM 851 O ILE A 55 -1.243 -5.207 -5.301 1.00 0.00 O ATOM 852 CB ILE A 55 -2.193 -6.501 -3.054 1.00 0.00 C ATOM 853 CG1 ILE A 55 -2.683 -7.720 -2.263 1.00 0.00 C ATOM 854 CG2 ILE A 55 -2.199 -5.269 -2.152 1.00 0.00 C ATOM 855 CD1 ILE A 55 -4.205 -7.657 -2.102 1.00 0.00 C ATOM 0 H ILE A 55 -2.614 -8.244 -4.884 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.057 -5.831 -3.931 1.00 0.00 H new ATOM 0 HB ILE A 55 -1.178 -6.681 -3.408 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -2.400 -8.637 -2.779 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.205 -7.745 -1.284 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.542 -5.440 -1.299 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.846 -4.405 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.213 -5.082 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -4.548 -8.525 -1.539 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -4.477 -6.747 -1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.675 -7.653 -3.085 1.00 0.00 H new ATOM 867 N LYS A 56 -3.236 -4.533 -5.923 1.00 0.00 N ATOM 868 CA LYS A 56 -2.669 -3.528 -6.844 1.00 0.00 C ATOM 869 C LYS A 56 -2.298 -2.329 -5.973 1.00 0.00 C ATOM 870 O LYS A 56 -3.163 -1.669 -5.434 1.00 0.00 O ATOM 871 CB LYS A 56 -3.746 -3.127 -7.846 1.00 0.00 C ATOM 872 CG LYS A 56 -3.160 -2.170 -8.887 1.00 0.00 C ATOM 873 CD LYS A 56 -4.222 -1.847 -9.942 1.00 0.00 C ATOM 874 CE LYS A 56 -4.440 -3.066 -10.841 1.00 0.00 C ATOM 875 NZ LYS A 56 -5.392 -2.713 -11.933 1.00 0.00 N ATOM 0 H LYS A 56 -4.255 -4.565 -5.892 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.804 -3.903 -7.392 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -4.145 -4.014 -8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -4.577 -2.649 -7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -2.822 -1.253 -8.404 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -2.288 -2.621 -9.360 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -5.158 -1.568 -9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -3.906 -0.993 -10.541 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -3.490 -3.394 -11.264 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -4.833 -3.897 -10.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.541 -3.541 -12.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.300 -2.420 -11.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -5.000 -1.932 -12.497 1.00 0.00 H new ATOM 889 N VAL A 57 -1.042 -2.054 -5.778 1.00 0.00 N ATOM 890 CA VAL A 57 -0.705 -0.914 -4.881 1.00 0.00 C ATOM 891 C VAL A 57 -0.627 0.395 -5.672 1.00 0.00 C ATOM 892 O VAL A 57 -0.236 0.435 -6.823 1.00 0.00 O ATOM 893 CB VAL A 57 0.605 -1.182 -4.102 1.00 0.00 C ATOM 894 CG1 VAL A 57 1.367 -2.353 -4.706 1.00 0.00 C ATOM 895 CG2 VAL A 57 1.490 0.063 -4.101 1.00 0.00 C ATOM 0 H VAL A 57 -0.252 -2.552 -6.187 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.505 -0.814 -4.147 1.00 0.00 H new ATOM 0 HB VAL A 57 0.338 -1.432 -3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.284 -2.521 -4.141 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.747 -3.249 -4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.616 -2.129 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 57 2.407 -0.143 -3.549 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.737 0.334 -5.127 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.958 0.887 -3.626 1.00 0.00 H new ATOM 905 N ARG A 58 -1.009 1.464 -5.031 1.00 0.00 N ATOM 906 CA ARG A 58 -0.990 2.805 -5.673 1.00 0.00 C ATOM 907 C ARG A 58 0.332 3.503 -5.361 1.00 0.00 C ATOM 908 O ARG A 58 0.800 3.483 -4.237 1.00 0.00 O ATOM 909 CB ARG A 58 -2.187 3.601 -5.103 1.00 0.00 C ATOM 910 CG ARG A 58 -1.770 4.924 -4.425 1.00 0.00 C ATOM 911 CD ARG A 58 -2.566 5.111 -3.131 1.00 0.00 C ATOM 912 NE ARG A 58 -3.976 4.713 -3.367 1.00 0.00 N ATOM 913 CZ ARG A 58 -4.946 5.347 -2.768 1.00 0.00 C ATOM 914 NH1 ARG A 58 -4.884 5.572 -1.485 1.00 0.00 N ATOM 915 NH2 ARG A 58 -5.978 5.755 -3.453 1.00 0.00 N ATOM 0 H ARG A 58 -1.341 1.462 -4.067 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.075 2.730 -6.757 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.887 3.818 -5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.716 2.981 -4.380 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.702 4.912 -4.208 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.950 5.762 -5.099 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.133 4.508 -2.333 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.518 6.151 -2.807 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.187 3.941 -4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.077 5.252 -0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.643 6.068 -1.017 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.026 5.578 -4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.737 6.251 -2.985 1.00 0.00 H new ATOM 929 N ALA A 59 0.920 4.160 -6.322 1.00 0.00 N ATOM 930 CA ALA A 59 2.180 4.877 -6.036 1.00 0.00 C ATOM 931 C ALA A 59 2.031 6.326 -6.475 1.00 0.00 C ATOM 932 O ALA A 59 2.999 7.008 -6.709 1.00 0.00 O ATOM 933 CB ALA A 59 3.327 4.224 -6.800 1.00 0.00 C ATOM 0 H ALA A 59 0.582 4.228 -7.282 1.00 0.00 H new ATOM 0 HA ALA A 59 2.396 4.835 -4.968 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.255 4.755 -6.587 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.425 3.184 -6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.122 4.266 -7.870 1.00 0.00 H new ATOM 939 N GLY A 60 0.828 6.818 -6.571 1.00 0.00 N ATOM 940 CA GLY A 60 0.662 8.238 -6.982 1.00 0.00 C ATOM 941 C GLY A 60 -0.184 8.300 -8.254 1.00 0.00 C ATOM 942 O GLY A 60 -1.094 7.519 -8.444 1.00 0.00 O ATOM 0 H GLY A 60 -0.035 6.307 -6.386 1.00 0.00 H new ATOM 0 HA2 GLY A 60 0.183 8.806 -6.185 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.636 8.694 -7.157 1.00 0.00 H new ATOM 946 N ASP A 61 0.110 9.221 -9.129 1.00 0.00 N ATOM 947 CA ASP A 61 -0.676 9.324 -10.389 1.00 0.00 C ATOM 948 C ASP A 61 0.105 8.671 -11.533 1.00 0.00 C ATOM 949 O ASP A 61 -0.458 8.016 -12.387 1.00 0.00 O ATOM 950 CB ASP A 61 -0.927 10.797 -10.719 1.00 0.00 C ATOM 951 CG ASP A 61 -1.847 10.895 -11.938 1.00 0.00 C ATOM 952 OD1 ASP A 61 -2.075 9.873 -12.565 1.00 0.00 O ATOM 953 OD2 ASP A 61 -2.307 11.987 -12.223 1.00 0.00 O ATOM 0 H ASP A 61 0.859 9.905 -9.026 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.631 8.814 -10.262 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.381 11.300 -9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 61 0.018 11.302 -10.921 1.00 0.00 H new ATOM 958 N ASN A 62 1.396 8.854 -11.560 1.00 0.00 N ATOM 959 CA ASN A 62 2.213 8.256 -12.649 1.00 0.00 C ATOM 960 C ASN A 62 2.951 7.018 -12.131 1.00 0.00 C ATOM 961 O ASN A 62 3.376 6.175 -12.896 1.00 0.00 O ATOM 962 CB ASN A 62 3.226 9.286 -13.153 1.00 0.00 C ATOM 963 CG ASN A 62 4.303 9.507 -12.090 1.00 0.00 C ATOM 964 OD1 ASN A 62 5.376 8.942 -12.170 1.00 0.00 O ATOM 965 ND2 ASN A 62 4.062 10.312 -11.093 1.00 0.00 N ATOM 0 H ASN A 62 1.921 9.394 -10.872 1.00 0.00 H new ATOM 0 HA ASN A 62 1.556 7.961 -13.468 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.682 8.939 -14.081 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.723 10.227 -13.377 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.774 10.468 -10.380 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.161 10.786 -11.026 1.00 0.00 H new ATOM 972 N LYS A 63 3.104 6.897 -10.840 1.00 0.00 N ATOM 973 CA LYS A 63 3.808 5.710 -10.279 1.00 0.00 C ATOM 974 C LYS A 63 2.747 4.679 -9.854 1.00 0.00 C ATOM 975 O LYS A 63 1.625 5.029 -9.532 1.00 0.00 O ATOM 976 CB LYS A 63 4.667 6.164 -9.098 1.00 0.00 C ATOM 977 CG LYS A 63 5.770 7.095 -9.603 1.00 0.00 C ATOM 978 CD LYS A 63 5.598 8.475 -8.968 1.00 0.00 C ATOM 979 CE LYS A 63 6.740 9.390 -9.418 1.00 0.00 C ATOM 980 NZ LYS A 63 7.914 9.195 -8.523 1.00 0.00 N ATOM 0 H LYS A 63 2.771 7.570 -10.150 1.00 0.00 H new ATOM 0 HA LYS A 63 4.465 5.246 -11.015 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.050 6.679 -8.361 1.00 0.00 H new ATOM 0 HB3 LYS A 63 5.105 5.300 -8.599 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.749 6.687 -9.353 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.726 7.174 -10.689 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.639 8.904 -9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.593 8.389 -7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.014 9.167 -10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.418 10.431 -9.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.286 10.121 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 7.623 8.659 -7.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 8.654 8.668 -9.030 1.00 0.00 H new ATOM 994 N TYR A 64 3.062 3.409 -9.882 1.00 0.00 N ATOM 995 CA TYR A 64 2.024 2.401 -9.531 1.00 0.00 C ATOM 996 C TYR A 64 2.678 1.046 -9.276 1.00 0.00 C ATOM 997 O TYR A 64 3.462 0.568 -10.068 1.00 0.00 O ATOM 998 CB TYR A 64 1.078 2.273 -10.726 1.00 0.00 C ATOM 999 CG TYR A 64 -0.331 2.635 -10.327 1.00 0.00 C ATOM 1000 CD1 TYR A 64 -0.754 3.966 -10.402 1.00 0.00 C ATOM 1001 CD2 TYR A 64 -1.216 1.640 -9.896 1.00 0.00 C ATOM 1002 CE1 TYR A 64 -2.064 4.305 -10.045 1.00 0.00 C ATOM 1003 CE2 TYR A 64 -2.528 1.979 -9.541 1.00 0.00 C ATOM 1004 CZ TYR A 64 -2.951 3.312 -9.616 1.00 0.00 C ATOM 1005 OH TYR A 64 -4.242 3.647 -9.269 1.00 0.00 O ATOM 0 H TYR A 64 3.978 3.033 -10.129 1.00 0.00 H new ATOM 0 HA TYR A 64 1.489 2.712 -8.634 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.412 2.925 -11.533 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.103 1.253 -11.109 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -0.070 4.732 -10.735 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -0.888 0.613 -9.837 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -2.390 5.333 -10.101 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.213 1.213 -9.210 1.00 0.00 H new ATOM 0 HH TYR A 64 -4.838 2.892 -9.457 1.00 0.00 H new ATOM 1015 N LEU A 65 2.352 0.412 -8.189 1.00 0.00 N ATOM 1016 CA LEU A 65 2.959 -0.914 -7.912 1.00 0.00 C ATOM 1017 C LEU A 65 1.893 -1.991 -7.979 1.00 0.00 C ATOM 1018 O LEU A 65 0.758 -1.734 -8.322 1.00 0.00 O ATOM 1019 CB LEU A 65 3.598 -0.907 -6.532 1.00 0.00 C ATOM 1020 CG LEU A 65 4.462 0.353 -6.408 1.00 0.00 C ATOM 1021 CD1 LEU A 65 3.655 1.451 -5.722 1.00 0.00 C ATOM 1022 CD2 LEU A 65 5.710 0.065 -5.568 1.00 0.00 C ATOM 0 H LEU A 65 1.696 0.751 -7.485 1.00 0.00 H new ATOM 0 HA LEU A 65 3.724 -1.122 -8.660 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.830 -0.919 -5.758 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.207 -1.800 -6.391 1.00 0.00 H new ATOM 0 HG LEU A 65 4.764 0.669 -7.406 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.266 2.349 -5.632 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.767 1.674 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.354 1.115 -4.729 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.313 0.970 -5.490 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.411 -0.259 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.296 -0.721 -6.044 1.00 0.00 H new ATOM 1034 N HIS A 66 2.241 -3.205 -7.665 1.00 0.00 N ATOM 1035 CA HIS A 66 1.231 -4.272 -7.742 1.00 0.00 C ATOM 1036 C HIS A 66 1.715 -5.535 -7.023 1.00 0.00 C ATOM 1037 O HIS A 66 2.894 -5.755 -6.841 1.00 0.00 O ATOM 1038 CB HIS A 66 0.987 -4.567 -9.210 1.00 0.00 C ATOM 1039 CG HIS A 66 -0.355 -5.188 -9.365 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -1.377 -4.562 -10.042 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -0.868 -6.368 -8.911 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.449 -5.358 -9.971 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -2.196 -6.479 -9.295 1.00 0.00 N ATOM 0 H HIS A 66 3.171 -3.495 -7.363 1.00 0.00 H new ATOM 0 HA HIS A 66 0.311 -3.951 -7.254 1.00 0.00 H new ATOM 0 HB2 HIS A 66 1.046 -3.648 -9.793 1.00 0.00 H new ATOM 0 HB3 HIS A 66 1.758 -5.237 -9.592 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.322 -7.104 -8.339 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -3.407 -5.121 -10.410 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.838 -7.248 -9.103 1.00 0.00 H new ATOM 1051 N LEU A 67 0.793 -6.354 -6.604 1.00 0.00 N ATOM 1052 CA LEU A 67 1.139 -7.607 -5.878 1.00 0.00 C ATOM 1053 C LEU A 67 -0.031 -8.566 -5.962 1.00 0.00 C ATOM 1054 O LEU A 67 -1.150 -8.189 -6.244 1.00 0.00 O ATOM 1055 CB LEU A 67 1.355 -7.275 -4.407 1.00 0.00 C ATOM 1056 CG LEU A 67 1.390 -8.560 -3.564 1.00 0.00 C ATOM 1057 CD1 LEU A 67 2.657 -9.352 -3.863 1.00 0.00 C ATOM 1058 CD2 LEU A 67 1.382 -8.164 -2.091 1.00 0.00 C ATOM 0 H LEU A 67 -0.207 -6.204 -6.737 1.00 0.00 H new ATOM 0 HA LEU A 67 2.034 -8.049 -6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.290 -6.728 -4.285 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.556 -6.623 -4.054 1.00 0.00 H new ATOM 0 HG LEU A 67 0.525 -9.180 -3.802 1.00 0.00 H new ATOM 0 HD11 LEU A 67 2.670 -10.260 -3.260 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.679 -9.618 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.530 -8.745 -3.624 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.406 -9.061 -1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.256 -7.550 -1.874 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.477 -7.597 -1.872 1.00 0.00 H new ATOM 1070 N LYS A 68 0.223 -9.793 -5.669 1.00 0.00 N ATOM 1071 CA LYS A 68 -0.823 -10.803 -5.651 1.00 0.00 C ATOM 1072 C LYS A 68 -0.582 -11.611 -4.418 1.00 0.00 C ATOM 1073 O LYS A 68 0.292 -12.458 -4.418 1.00 0.00 O ATOM 1074 CB LYS A 68 -0.621 -11.720 -6.804 1.00 0.00 C ATOM 1075 CG LYS A 68 -1.863 -12.565 -7.042 1.00 0.00 C ATOM 1076 CD LYS A 68 -1.777 -13.807 -6.151 1.00 0.00 C ATOM 1077 CE LYS A 68 -1.276 -15.021 -6.945 1.00 0.00 C ATOM 1078 NZ LYS A 68 -1.807 -14.978 -8.338 1.00 0.00 N ATOM 0 H LYS A 68 1.152 -10.143 -5.433 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.814 -10.351 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -0.391 -11.142 -7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.235 -12.368 -6.614 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.762 -11.993 -6.810 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -1.930 -12.854 -8.091 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.105 -13.613 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.758 -14.024 -5.728 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.186 -15.029 -6.963 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.593 -15.942 -6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.728 -15.921 -8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -2.806 -14.688 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -1.258 -14.295 -8.898 1.00 0.00 H new ATOM 1092 N VAL A 69 -1.296 -11.379 -3.371 1.00 0.00 N ATOM 1093 CA VAL A 69 -1.018 -12.186 -2.182 1.00 0.00 C ATOM 1094 C VAL A 69 -1.784 -13.499 -2.308 1.00 0.00 C ATOM 1095 O VAL A 69 -2.954 -13.514 -2.631 1.00 0.00 O ATOM 1096 CB VAL A 69 -1.433 -11.435 -0.915 1.00 0.00 C ATOM 1097 CG1 VAL A 69 -1.162 -12.310 0.311 1.00 0.00 C ATOM 1098 CG2 VAL A 69 -0.621 -10.139 -0.802 1.00 0.00 C ATOM 0 H VAL A 69 -2.039 -10.685 -3.288 1.00 0.00 H new ATOM 0 HA VAL A 69 0.051 -12.387 -2.108 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.496 -11.199 -0.966 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.458 -11.774 1.213 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -1.736 -13.234 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -0.099 -12.546 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.915 -9.603 0.100 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.441 -10.378 -0.752 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.811 -9.513 -1.674 1.00 0.00 H new ATOM 1108 N PHE A 70 -1.140 -14.608 -2.104 1.00 0.00 N ATOM 1109 CA PHE A 70 -1.862 -15.893 -2.268 1.00 0.00 C ATOM 1110 C PHE A 70 -1.531 -16.855 -1.129 1.00 0.00 C ATOM 1111 O PHE A 70 -0.385 -17.138 -0.856 1.00 0.00 O ATOM 1112 CB PHE A 70 -1.436 -16.511 -3.596 1.00 0.00 C ATOM 1113 CG PHE A 70 -2.120 -17.842 -3.774 1.00 0.00 C ATOM 1114 CD1 PHE A 70 -3.400 -18.046 -3.246 1.00 0.00 C ATOM 1115 CD2 PHE A 70 -1.477 -18.870 -4.473 1.00 0.00 C ATOM 1116 CE1 PHE A 70 -4.038 -19.281 -3.416 1.00 0.00 C ATOM 1117 CE2 PHE A 70 -2.115 -20.105 -4.643 1.00 0.00 C ATOM 1118 CZ PHE A 70 -3.396 -20.310 -4.115 1.00 0.00 C ATOM 0 H PHE A 70 -0.159 -14.681 -1.835 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.936 -15.709 -2.253 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -1.694 -15.845 -4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -0.354 -16.640 -3.618 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.895 -17.251 -2.708 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.490 -18.711 -4.881 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.025 -19.440 -3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.619 -20.899 -5.181 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.888 -21.262 -4.247 1.00 0.00 H new ATOM 1128 N LYS A 71 -2.533 -17.383 -0.481 1.00 0.00 N ATOM 1129 CA LYS A 71 -2.273 -18.355 0.617 1.00 0.00 C ATOM 1130 C LYS A 71 -2.431 -19.762 0.045 1.00 0.00 C ATOM 1131 O LYS A 71 -3.311 -20.509 0.422 1.00 0.00 O ATOM 1132 CB LYS A 71 -3.271 -18.139 1.758 1.00 0.00 C ATOM 1133 CG LYS A 71 -2.514 -17.701 3.014 1.00 0.00 C ATOM 1134 CD LYS A 71 -3.489 -17.079 4.015 1.00 0.00 C ATOM 1135 CE LYS A 71 -2.842 -17.045 5.402 1.00 0.00 C ATOM 1136 NZ LYS A 71 -3.850 -16.621 6.413 1.00 0.00 N ATOM 0 H LYS A 71 -3.517 -17.184 -0.664 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.267 -18.217 1.014 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.003 -17.382 1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.822 -19.059 1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.012 -18.557 3.465 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -1.740 -16.980 2.751 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.755 -16.070 3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.413 -17.657 4.047 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.450 -18.030 5.656 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.998 -16.355 5.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.409 -16.598 7.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -4.204 -15.673 6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -4.642 -17.295 6.418 1.00 0.00 H new ATOM 1150 N SER A 72 -1.586 -20.107 -0.890 1.00 0.00 N ATOM 1151 CA SER A 72 -1.663 -21.446 -1.540 1.00 0.00 C ATOM 1152 C SER A 72 -2.063 -22.521 -0.529 1.00 0.00 C ATOM 1153 O SER A 72 -1.495 -22.640 0.539 1.00 0.00 O ATOM 1154 CB SER A 72 -0.300 -21.795 -2.135 1.00 0.00 C ATOM 1155 OG SER A 72 -0.372 -21.722 -3.553 1.00 0.00 O ATOM 0 H SER A 72 -0.836 -19.508 -1.235 1.00 0.00 H new ATOM 0 HA SER A 72 -2.419 -21.409 -2.324 1.00 0.00 H new ATOM 0 HB2 SER A 72 0.459 -21.107 -1.762 1.00 0.00 H new ATOM 0 HB3 SER A 72 -0.001 -22.797 -1.826 1.00 0.00 H new ATOM 0 HG SER A 72 -0.768 -20.865 -3.817 1.00 0.00 H new ATOM 1161 N LEU A 73 -3.041 -23.308 -0.877 1.00 0.00 N ATOM 1162 CA LEU A 73 -3.506 -24.393 0.022 1.00 0.00 C ATOM 1163 C LEU A 73 -4.594 -25.190 -0.712 1.00 0.00 C ATOM 1164 O LEU A 73 -5.724 -25.251 -0.279 1.00 0.00 O ATOM 1165 CB LEU A 73 -4.053 -23.772 1.308 1.00 0.00 C ATOM 1166 CG LEU A 73 -4.877 -24.801 2.076 1.00 0.00 C ATOM 1167 CD1 LEU A 73 -4.420 -24.847 3.534 1.00 0.00 C ATOM 1168 CD2 LEU A 73 -6.346 -24.396 2.012 1.00 0.00 C ATOM 0 H LEU A 73 -3.544 -23.242 -1.762 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.689 -25.064 0.286 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.230 -23.417 1.928 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.669 -22.905 1.069 1.00 0.00 H new ATOM 0 HG LEU A 73 -4.742 -25.788 1.633 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.012 -25.583 4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -3.367 -25.125 3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -4.555 -23.866 3.989 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.948 -25.123 2.557 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.472 -23.411 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.670 -24.364 0.972 1.00 0.00 H new ATOM 1180 N PRO A 74 -4.217 -25.759 -1.834 1.00 0.00 N ATOM 1181 CA PRO A 74 -5.139 -26.545 -2.675 1.00 0.00 C ATOM 1182 C PRO A 74 -5.286 -27.969 -2.127 1.00 0.00 C ATOM 1183 O PRO A 74 -5.188 -28.937 -2.855 1.00 0.00 O ATOM 1184 CB PRO A 74 -4.442 -26.564 -4.039 1.00 0.00 C ATOM 1185 CG PRO A 74 -2.937 -26.327 -3.762 1.00 0.00 C ATOM 1186 CD PRO A 74 -2.843 -25.669 -2.373 1.00 0.00 C ATOM 0 HA PRO A 74 -6.145 -26.127 -2.713 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -4.599 -27.518 -4.543 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.844 -25.789 -4.692 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.386 -27.268 -3.783 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.499 -25.684 -4.526 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.130 -26.189 -1.734 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -2.511 -24.633 -2.445 1.00 0.00 H new ATOM 1194 N GLY A 75 -5.519 -28.107 -0.851 1.00 0.00 N ATOM 1195 CA GLY A 75 -5.669 -29.468 -0.263 1.00 0.00 C ATOM 1196 C GLY A 75 -4.303 -29.977 0.204 1.00 0.00 C ATOM 1197 O GLY A 75 -4.203 -30.725 1.156 1.00 0.00 O ATOM 0 H GLY A 75 -5.612 -27.336 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.364 -29.438 0.576 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -6.090 -30.150 -1.002 1.00 0.00 H new ATOM 1201 N GLN A 76 -3.250 -29.578 -0.456 1.00 0.00 N ATOM 1202 CA GLN A 76 -1.896 -30.044 -0.044 1.00 0.00 C ATOM 1203 C GLN A 76 -1.297 -29.056 0.958 1.00 0.00 C ATOM 1204 O GLN A 76 -0.709 -29.441 1.949 1.00 0.00 O ATOM 1205 CB GLN A 76 -0.990 -30.135 -1.273 1.00 0.00 C ATOM 1206 CG GLN A 76 0.006 -31.283 -1.088 1.00 0.00 C ATOM 1207 CD GLN A 76 -0.563 -32.558 -1.713 1.00 0.00 C ATOM 1208 OE1 GLN A 76 -1.740 -32.632 -2.005 1.00 0.00 O ATOM 1209 NE2 GLN A 76 0.228 -33.571 -1.929 1.00 0.00 N ATOM 0 H GLN A 76 -3.269 -28.951 -1.260 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.978 -31.027 0.420 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -1.589 -30.300 -2.169 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.456 -29.195 -1.415 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.959 -31.031 -1.554 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.202 -31.441 -0.027 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.216 -33.508 -1.684 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -0.141 -34.427 -2.344 1.00 0.00 H new ATOM 1218 N ASN A 77 -1.441 -27.786 0.705 1.00 0.00 N ATOM 1219 CA ASN A 77 -0.882 -26.768 1.639 1.00 0.00 C ATOM 1220 C ASN A 77 0.646 -26.868 1.654 1.00 0.00 C ATOM 1221 O ASN A 77 1.215 -27.696 2.337 1.00 0.00 O ATOM 1222 CB ASN A 77 -1.421 -27.015 3.049 1.00 0.00 C ATOM 1223 CG ASN A 77 -0.900 -25.926 3.990 1.00 0.00 C ATOM 1224 OD1 ASN A 77 -0.995 -24.674 3.635 1.00 0.00 O flip ATOM 1225 ND2 ASN A 77 -0.397 -26.218 5.056 1.00 0.00 N flip ATOM 0 H ASN A 77 -1.923 -27.407 -0.110 1.00 0.00 H new ATOM 0 HA ASN A 77 -1.178 -25.773 1.306 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.511 -27.012 3.039 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.108 -27.997 3.403 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -0.323 -27.197 5.334 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -0.049 -25.485 5.674 1.00 0.00 H new ATOM 1232 N GLU A 78 1.313 -26.031 0.909 1.00 0.00 N ATOM 1233 CA GLU A 78 2.803 -26.080 0.884 1.00 0.00 C ATOM 1234 C GLU A 78 3.366 -24.659 0.794 1.00 0.00 C ATOM 1235 O GLU A 78 3.854 -24.239 -0.236 1.00 0.00 O ATOM 1236 CB GLU A 78 3.265 -26.889 -0.327 1.00 0.00 C ATOM 1237 CG GLU A 78 3.940 -28.177 0.149 1.00 0.00 C ATOM 1238 CD GLU A 78 3.472 -29.347 -0.716 1.00 0.00 C ATOM 1239 OE1 GLU A 78 2.277 -29.594 -0.747 1.00 0.00 O ATOM 1240 OE2 GLU A 78 4.315 -29.977 -1.335 1.00 0.00 O ATOM 0 H GLU A 78 0.892 -25.315 0.317 1.00 0.00 H new ATOM 0 HA GLU A 78 3.163 -26.552 1.798 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.414 -27.126 -0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 78 3.960 -26.301 -0.927 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.024 -28.076 0.088 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.696 -28.363 1.195 1.00 0.00 H new ATOM 1247 N ASP A 79 3.307 -23.916 1.866 1.00 0.00 N ATOM 1248 CA ASP A 79 3.845 -22.526 1.841 1.00 0.00 C ATOM 1249 C ASP A 79 2.948 -21.640 0.973 1.00 0.00 C ATOM 1250 O ASP A 79 2.509 -22.039 -0.089 1.00 0.00 O ATOM 1251 CB ASP A 79 5.262 -22.539 1.262 1.00 0.00 C ATOM 1252 CG ASP A 79 6.144 -21.563 2.043 1.00 0.00 C ATOM 1253 OD1 ASP A 79 6.127 -21.627 3.262 1.00 0.00 O ATOM 1254 OD2 ASP A 79 6.820 -20.769 1.410 1.00 0.00 O ATOM 0 H ASP A 79 2.910 -24.212 2.758 1.00 0.00 H new ATOM 0 HA ASP A 79 3.868 -22.130 2.856 1.00 0.00 H new ATOM 0 HB2 ASP A 79 5.679 -23.545 1.316 1.00 0.00 H new ATOM 0 HB3 ASP A 79 5.238 -22.260 0.209 1.00 0.00 H new ATOM 1259 N LEU A 80 2.673 -20.440 1.413 1.00 0.00 N ATOM 1260 CA LEU A 80 1.805 -19.533 0.610 1.00 0.00 C ATOM 1261 C LEU A 80 2.444 -19.263 -0.741 1.00 0.00 C ATOM 1262 O LEU A 80 3.119 -20.103 -1.301 1.00 0.00 O ATOM 1263 CB LEU A 80 1.577 -18.222 1.359 1.00 0.00 C ATOM 1264 CG LEU A 80 2.856 -17.401 1.372 1.00 0.00 C ATOM 1265 CD1 LEU A 80 2.522 -15.941 1.060 1.00 0.00 C ATOM 1266 CD2 LEU A 80 3.481 -17.506 2.759 1.00 0.00 C ATOM 0 H LEU A 80 3.012 -20.050 2.293 1.00 0.00 H new ATOM 0 HA LEU A 80 0.841 -20.016 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.777 -17.656 0.882 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.257 -18.428 2.380 1.00 0.00 H new ATOM 0 HG LEU A 80 3.555 -17.772 0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 80 3.437 -15.349 1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.057 -15.876 0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.834 -15.556 1.813 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.401 -16.923 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.783 -17.121 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 80 3.706 -18.550 2.979 1.00 0.00 H new ATOM 1278 N VAL A 81 2.208 -18.110 -1.285 1.00 0.00 N ATOM 1279 CA VAL A 81 2.767 -17.797 -2.622 1.00 0.00 C ATOM 1280 C VAL A 81 2.349 -16.378 -3.024 1.00 0.00 C ATOM 1281 O VAL A 81 1.319 -15.886 -2.609 1.00 0.00 O ATOM 1282 CB VAL A 81 2.204 -18.840 -3.601 1.00 0.00 C ATOM 1283 CG1 VAL A 81 1.825 -18.203 -4.946 1.00 0.00 C ATOM 1284 CG2 VAL A 81 3.257 -19.923 -3.844 1.00 0.00 C ATOM 0 H VAL A 81 1.651 -17.368 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 81 3.856 -17.836 -2.625 1.00 0.00 H new ATOM 0 HB VAL A 81 1.305 -19.269 -3.158 1.00 0.00 H new ATOM 0 HG11 VAL A 81 1.431 -18.969 -5.613 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.067 -17.437 -4.785 1.00 0.00 H new ATOM 0 HG13 VAL A 81 2.708 -17.750 -5.396 1.00 0.00 H new ATOM 0 HG21 VAL A 81 2.862 -20.665 -4.538 1.00 0.00 H new ATOM 0 HG22 VAL A 81 4.153 -19.470 -4.268 1.00 0.00 H new ATOM 0 HG23 VAL A 81 3.507 -20.406 -2.899 1.00 0.00 H new ATOM 1294 N LEU A 82 3.128 -15.726 -3.842 1.00 0.00 N ATOM 1295 CA LEU A 82 2.760 -14.362 -4.279 1.00 0.00 C ATOM 1296 C LEU A 82 3.099 -14.201 -5.742 1.00 0.00 C ATOM 1297 O LEU A 82 4.058 -13.551 -6.105 1.00 0.00 O ATOM 1298 CB LEU A 82 3.511 -13.311 -3.479 1.00 0.00 C ATOM 1299 CG LEU A 82 2.570 -12.756 -2.429 1.00 0.00 C ATOM 1300 CD1 LEU A 82 2.459 -13.739 -1.263 1.00 0.00 C ATOM 1301 CD2 LEU A 82 3.097 -11.415 -1.921 1.00 0.00 C ATOM 0 H LEU A 82 4.003 -16.084 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 82 1.691 -14.225 -4.117 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.391 -13.749 -3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.863 -12.514 -4.134 1.00 0.00 H new ATOM 0 HG LEU A 82 1.585 -12.611 -2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.781 -13.336 -0.510 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.073 -14.692 -1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.443 -13.891 -0.821 1.00 0.00 H new ATOM 0 HD21 LEU A 82 2.417 -11.019 -1.166 1.00 0.00 H new ATOM 0 HD22 LEU A 82 4.085 -11.555 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.165 -10.713 -2.752 1.00 0.00 H new ATOM 1313 N THR A 83 2.300 -14.762 -6.591 1.00 0.00 N ATOM 1314 CA THR A 83 2.555 -14.615 -8.039 1.00 0.00 C ATOM 1315 C THR A 83 2.523 -13.129 -8.400 1.00 0.00 C ATOM 1316 O THR A 83 2.832 -12.753 -9.514 1.00 0.00 O ATOM 1317 CB THR A 83 1.478 -15.351 -8.822 1.00 0.00 C ATOM 1318 OG1 THR A 83 0.956 -16.410 -8.033 1.00 0.00 O ATOM 1319 CG2 THR A 83 2.075 -15.915 -10.111 1.00 0.00 C ATOM 0 H THR A 83 1.480 -15.317 -6.345 1.00 0.00 H new ATOM 0 HA THR A 83 3.530 -15.035 -8.287 1.00 0.00 H new ATOM 0 HB THR A 83 0.675 -14.658 -9.071 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.261 -16.882 -8.538 1.00 0.00 H new ATOM 0 HG21 THR A 83 1.302 -16.442 -10.670 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.469 -15.099 -10.717 1.00 0.00 H new ATOM 0 HG23 THR A 83 2.881 -16.607 -9.866 1.00 0.00 H new ATOM 1327 N GLY A 84 2.149 -12.267 -7.479 1.00 0.00 N ATOM 1328 CA GLY A 84 2.112 -10.821 -7.820 1.00 0.00 C ATOM 1329 C GLY A 84 3.233 -10.095 -7.096 1.00 0.00 C ATOM 1330 O GLY A 84 3.608 -10.445 -5.997 1.00 0.00 O ATOM 0 H GLY A 84 1.874 -12.504 -6.526 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.216 -10.689 -8.897 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.149 -10.396 -7.538 1.00 0.00 H new ATOM 1334 N TYR A 85 3.760 -9.079 -7.709 1.00 0.00 N ATOM 1335 CA TYR A 85 4.856 -8.304 -7.079 1.00 0.00 C ATOM 1336 C TYR A 85 5.322 -7.249 -8.078 1.00 0.00 C ATOM 1337 O TYR A 85 5.696 -7.568 -9.189 1.00 0.00 O ATOM 1338 CB TYR A 85 6.019 -9.241 -6.745 1.00 0.00 C ATOM 1339 CG TYR A 85 6.298 -10.130 -7.934 1.00 0.00 C ATOM 1340 CD1 TYR A 85 7.172 -9.703 -8.942 1.00 0.00 C ATOM 1341 CD2 TYR A 85 5.677 -11.381 -8.032 1.00 0.00 C ATOM 1342 CE1 TYR A 85 7.427 -10.526 -10.045 1.00 0.00 C ATOM 1343 CE2 TYR A 85 5.930 -12.205 -9.136 1.00 0.00 C ATOM 1344 CZ TYR A 85 6.804 -11.776 -10.143 1.00 0.00 C ATOM 1345 OH TYR A 85 7.051 -12.587 -11.234 1.00 0.00 O ATOM 0 H TYR A 85 3.475 -8.749 -8.631 1.00 0.00 H new ATOM 0 HA TYR A 85 4.508 -7.831 -6.161 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.907 -8.662 -6.492 1.00 0.00 H new ATOM 0 HB3 TYR A 85 5.775 -9.847 -5.872 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.650 -8.737 -8.868 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.002 -11.711 -7.256 1.00 0.00 H new ATOM 0 HE1 TYR A 85 8.104 -10.197 -10.820 1.00 0.00 H new ATOM 0 HE2 TYR A 85 5.452 -13.170 -9.211 1.00 0.00 H new ATOM 0 HH TYR A 85 6.540 -13.419 -11.146 1.00 0.00 H new ATOM 1355 N GLN A 86 5.291 -5.996 -7.723 1.00 0.00 N ATOM 1356 CA GLN A 86 5.728 -4.965 -8.713 1.00 0.00 C ATOM 1357 C GLN A 86 6.098 -3.650 -8.025 1.00 0.00 C ATOM 1358 O GLN A 86 5.640 -3.345 -6.941 1.00 0.00 O ATOM 1359 CB GLN A 86 4.591 -4.710 -9.703 1.00 0.00 C ATOM 1360 CG GLN A 86 4.988 -5.229 -11.086 1.00 0.00 C ATOM 1361 CD GLN A 86 6.342 -4.638 -11.485 1.00 0.00 C ATOM 1362 OE1 GLN A 86 7.346 -5.322 -11.463 1.00 0.00 O ATOM 1363 NE2 GLN A 86 6.412 -3.387 -11.850 1.00 0.00 N ATOM 0 H GLN A 86 4.991 -5.643 -6.814 1.00 0.00 H new ATOM 0 HA GLN A 86 6.611 -5.340 -9.230 1.00 0.00 H new ATOM 0 HB2 GLN A 86 3.682 -5.207 -9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 86 4.371 -3.644 -9.753 1.00 0.00 H new ATOM 0 HG2 GLN A 86 5.044 -6.318 -11.075 1.00 0.00 H new ATOM 0 HG3 GLN A 86 4.230 -4.956 -11.820 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.569 -2.813 -11.868 1.00 0.00 H new ATOM 0 HE22 GLN A 86 7.310 -2.983 -12.117 1.00 0.00 H new ATOM 1372 N VAL A 87 6.919 -2.865 -8.674 1.00 0.00 N ATOM 1373 CA VAL A 87 7.333 -1.553 -8.106 1.00 0.00 C ATOM 1374 C VAL A 87 6.531 -0.448 -8.795 1.00 0.00 C ATOM 1375 O VAL A 87 5.549 -0.711 -9.458 1.00 0.00 O ATOM 1376 CB VAL A 87 8.834 -1.344 -8.347 1.00 0.00 C ATOM 1377 CG1 VAL A 87 9.083 -0.908 -9.796 1.00 0.00 C ATOM 1378 CG2 VAL A 87 9.363 -0.271 -7.396 1.00 0.00 C ATOM 0 H VAL A 87 7.324 -3.083 -9.585 1.00 0.00 H new ATOM 0 HA VAL A 87 7.143 -1.528 -7.033 1.00 0.00 H new ATOM 0 HB VAL A 87 9.354 -2.285 -8.164 1.00 0.00 H new ATOM 0 HG11 VAL A 87 10.152 -0.763 -9.954 1.00 0.00 H new ATOM 0 HG12 VAL A 87 8.717 -1.678 -10.476 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.558 0.027 -9.990 1.00 0.00 H new ATOM 0 HG21 VAL A 87 10.429 -0.125 -7.569 1.00 0.00 H new ATOM 0 HG22 VAL A 87 8.835 0.666 -7.574 1.00 0.00 H new ATOM 0 HG23 VAL A 87 9.203 -0.587 -6.365 1.00 0.00 H new ATOM 1388 N ASP A 88 6.927 0.782 -8.649 1.00 0.00 N ATOM 1389 CA ASP A 88 6.164 1.873 -9.292 1.00 0.00 C ATOM 1390 C ASP A 88 6.993 2.538 -10.401 1.00 0.00 C ATOM 1391 O ASP A 88 7.666 1.866 -11.159 1.00 0.00 O ATOM 1392 CB ASP A 88 5.766 2.899 -8.231 1.00 0.00 C ATOM 1393 CG ASP A 88 6.994 3.709 -7.807 1.00 0.00 C ATOM 1394 OD1 ASP A 88 8.092 3.190 -7.926 1.00 0.00 O ATOM 1395 OD2 ASP A 88 6.815 4.835 -7.373 1.00 0.00 O ATOM 0 H ASP A 88 7.744 1.075 -8.113 1.00 0.00 H new ATOM 0 HA ASP A 88 5.266 1.460 -9.751 1.00 0.00 H new ATOM 0 HB2 ASP A 88 4.998 3.565 -8.625 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.336 2.394 -7.366 1.00 0.00 H new ATOM 1400 N LYS A 89 6.919 3.848 -10.516 1.00 0.00 N ATOM 1401 CA LYS A 89 7.667 4.581 -11.584 1.00 0.00 C ATOM 1402 C LYS A 89 6.768 4.699 -12.815 1.00 0.00 C ATOM 1403 O LYS A 89 6.567 5.772 -13.344 1.00 0.00 O ATOM 1404 CB LYS A 89 8.957 3.842 -11.951 1.00 0.00 C ATOM 1405 CG LYS A 89 9.909 4.803 -12.665 1.00 0.00 C ATOM 1406 CD LYS A 89 11.328 4.600 -12.133 1.00 0.00 C ATOM 1407 CE LYS A 89 11.415 5.133 -10.702 1.00 0.00 C ATOM 1408 NZ LYS A 89 12.790 5.648 -10.444 1.00 0.00 N ATOM 0 H LYS A 89 6.363 4.445 -9.904 1.00 0.00 H new ATOM 0 HA LYS A 89 7.939 5.571 -11.218 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.430 3.445 -11.053 1.00 0.00 H new ATOM 0 HB3 LYS A 89 8.731 2.992 -12.594 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.883 4.626 -13.740 1.00 0.00 H new ATOM 0 HG3 LYS A 89 9.592 5.833 -12.504 1.00 0.00 H new ATOM 0 HD2 LYS A 89 11.589 3.542 -12.155 1.00 0.00 H new ATOM 0 HD3 LYS A 89 12.045 5.118 -12.770 1.00 0.00 H new ATOM 0 HE2 LYS A 89 10.684 5.928 -10.554 1.00 0.00 H new ATOM 0 HE3 LYS A 89 11.173 4.341 -9.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 12.848 6.010 -9.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 13.478 4.878 -10.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 13.004 6.415 -11.112 1.00 0.00 H new ATOM 1422 N ASN A 90 6.209 3.603 -13.257 1.00 0.00 N ATOM 1423 CA ASN A 90 5.302 3.645 -14.442 1.00 0.00 C ATOM 1424 C ASN A 90 5.175 2.246 -15.038 1.00 0.00 C ATOM 1425 O ASN A 90 5.150 2.071 -16.240 1.00 0.00 O ATOM 1426 CB ASN A 90 5.862 4.600 -15.499 1.00 0.00 C ATOM 1427 CG ASN A 90 7.378 4.419 -15.600 1.00 0.00 C ATOM 1428 OD1 ASN A 90 8.129 5.341 -15.348 1.00 0.00 O ATOM 1429 ND2 ASN A 90 7.863 3.263 -15.962 1.00 0.00 N ATOM 0 H ASN A 90 6.342 2.678 -12.847 1.00 0.00 H new ATOM 0 HA ASN A 90 4.321 3.999 -14.125 1.00 0.00 H new ATOM 0 HB2 ASN A 90 5.397 4.403 -16.465 1.00 0.00 H new ATOM 0 HB3 ASN A 90 5.625 5.631 -15.235 1.00 0.00 H new ATOM 0 HD21 ASN A 90 8.872 3.133 -16.033 1.00 0.00 H new ATOM 0 HD22 ASN A 90 7.233 2.489 -16.173 1.00 0.00 H new ATOM 1436 N LYS A 91 5.085 1.247 -14.206 1.00 0.00 N ATOM 1437 CA LYS A 91 4.947 -0.140 -14.726 1.00 0.00 C ATOM 1438 C LYS A 91 3.531 -0.626 -14.457 1.00 0.00 C ATOM 1439 O LYS A 91 2.848 -1.101 -15.344 1.00 0.00 O ATOM 1440 CB LYS A 91 5.943 -1.061 -14.022 1.00 0.00 C ATOM 1441 CG LYS A 91 7.315 -0.930 -14.679 1.00 0.00 C ATOM 1442 CD LYS A 91 8.321 -0.425 -13.647 1.00 0.00 C ATOM 1443 CE LYS A 91 9.740 -0.559 -14.205 1.00 0.00 C ATOM 1444 NZ LYS A 91 10.171 0.743 -14.787 1.00 0.00 N ATOM 0 H LYS A 91 5.101 1.331 -13.190 1.00 0.00 H new ATOM 0 HA LYS A 91 5.149 -0.151 -15.797 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.009 -0.802 -12.965 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.600 -2.094 -14.077 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.635 -1.894 -15.075 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.263 -0.240 -15.522 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.113 0.616 -13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 91 8.227 -0.996 -12.723 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.426 -0.860 -13.414 1.00 0.00 H new ATOM 0 HE3 LYS A 91 9.770 -1.338 -14.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.135 0.652 -15.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.522 1.013 -15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 10.157 1.475 -14.048 1.00 0.00 H new ATOM 1458 N ASP A 92 3.073 -0.501 -13.245 1.00 0.00 N ATOM 1459 CA ASP A 92 1.689 -0.951 -12.946 1.00 0.00 C ATOM 1460 C ASP A 92 0.714 0.187 -13.253 1.00 0.00 C ATOM 1461 O ASP A 92 -0.398 0.209 -12.762 1.00 0.00 O ATOM 1462 CB ASP A 92 1.568 -1.345 -11.475 1.00 0.00 C ATOM 1463 CG ASP A 92 0.174 -1.928 -11.233 1.00 0.00 C ATOM 1464 OD1 ASP A 92 -0.232 -2.775 -12.012 1.00 0.00 O ATOM 1465 OD2 ASP A 92 -0.464 -1.516 -10.279 1.00 0.00 O ATOM 0 H ASP A 92 3.590 -0.111 -12.457 1.00 0.00 H new ATOM 0 HA ASP A 92 1.453 -1.818 -13.563 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.333 -2.077 -11.216 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.729 -0.476 -10.837 1.00 0.00 H new ATOM 1470 N ASP A 93 1.115 1.133 -14.064 1.00 0.00 N ATOM 1471 CA ASP A 93 0.197 2.259 -14.395 1.00 0.00 C ATOM 1472 C ASP A 93 -1.122 1.698 -14.927 1.00 0.00 C ATOM 1473 O ASP A 93 -1.257 1.408 -16.099 1.00 0.00 O ATOM 1474 CB ASP A 93 0.837 3.147 -15.465 1.00 0.00 C ATOM 1475 CG ASP A 93 -0.091 4.323 -15.768 1.00 0.00 C ATOM 1476 OD1 ASP A 93 -0.017 5.311 -15.057 1.00 0.00 O ATOM 1477 OD2 ASP A 93 -0.864 4.216 -16.705 1.00 0.00 O ATOM 0 H ASP A 93 2.033 1.173 -14.508 1.00 0.00 H new ATOM 0 HA ASP A 93 0.010 2.849 -13.498 1.00 0.00 H new ATOM 0 HB2 ASP A 93 1.804 3.512 -15.120 1.00 0.00 H new ATOM 0 HB3 ASP A 93 1.019 2.570 -16.372 1.00 0.00 H new