USER MOD reduce.3.24.130724 H: found=0, std=0, add=416, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 417 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 50 THR OG1 : rot 180:sc= 0.0154 USER MOD Set 1.2: A 52 THR OG1 : rot 122:sc= -0.432 USER MOD Single : A 2 THR OG1 : rot 118:sc= 1.24 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 ASN : amide:sc= -0.0871 X(o=-0.087,f=-0.32) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -168:sc= -1.2 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.00273 USER MOD Single : A 19 THR OG1 : rot -150:sc= -0.188 USER MOD Single : A 26 THR OG1 : rot -150:sc= -0.236 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.489 X(o=-0.49,f=-0.049) USER MOD Single : A 34 TYR OH : rot 15:sc= -1.36 USER MOD Single : A 36 ASN : amide:sc= -0.395 K(o=-0.4,f=-1.8!) USER MOD Single : A 38 ASN : amide:sc= -4.71! C(o=-4.7!,f=-4.5!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -1.12 USER MOD Single : A 46 TYR OH : rot 0:sc= -2.18 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -14:sc= -0.325 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 13.689 -0.748 2.187 1.00 0.00 N ATOM 21 CA THR A 2 12.887 0.383 1.633 1.00 0.00 C ATOM 22 C THR A 2 11.524 0.453 2.328 1.00 0.00 C ATOM 23 O THR A 2 10.693 -0.423 2.172 1.00 0.00 O ATOM 24 CB THR A 2 12.717 0.059 0.149 1.00 0.00 C ATOM 25 OG1 THR A 2 13.996 -0.104 -0.449 1.00 0.00 O ATOM 26 CG2 THR A 2 11.969 1.201 -0.541 1.00 0.00 C ATOM 0 HA THR A 2 13.371 1.347 1.786 1.00 0.00 H new ATOM 0 HB THR A 2 12.146 -0.863 0.041 1.00 0.00 H new ATOM 0 HG1 THR A 2 14.084 -1.019 -0.790 1.00 0.00 H new ATOM 0 HG21 THR A 2 11.848 0.970 -1.599 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.988 1.323 -0.082 1.00 0.00 H new ATOM 0 HG23 THR A 2 12.537 2.125 -0.434 1.00 0.00 H new ATOM 34 N THR A 3 11.295 1.486 3.097 1.00 0.00 N ATOM 35 CA THR A 3 9.999 1.623 3.812 1.00 0.00 C ATOM 36 C THR A 3 8.945 2.262 2.904 1.00 0.00 C ATOM 37 O THR A 3 8.845 3.472 2.815 1.00 0.00 O ATOM 38 CB THR A 3 10.296 2.529 5.008 1.00 0.00 C ATOM 39 OG1 THR A 3 11.424 2.028 5.711 1.00 0.00 O ATOM 40 CG2 THR A 3 9.084 2.560 5.940 1.00 0.00 C ATOM 0 H THR A 3 11.958 2.244 3.259 1.00 0.00 H new ATOM 0 HA THR A 3 9.601 0.656 4.120 1.00 0.00 H new ATOM 0 HB THR A 3 10.506 3.539 4.656 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.617 2.609 6.477 1.00 0.00 H new ATOM 0 HG21 THR A 3 9.297 3.206 6.792 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.219 2.945 5.400 1.00 0.00 H new ATOM 0 HG23 THR A 3 8.871 1.551 6.294 1.00 0.00 H new ATOM 48 N PHE A 4 8.154 1.459 2.238 1.00 0.00 N ATOM 49 CA PHE A 4 7.095 2.017 1.341 1.00 0.00 C ATOM 50 C PHE A 4 5.909 2.504 2.181 1.00 0.00 C ATOM 51 O PHE A 4 5.906 2.376 3.391 1.00 0.00 O ATOM 52 CB PHE A 4 6.675 0.853 0.440 1.00 0.00 C ATOM 53 CG PHE A 4 7.816 0.473 -0.473 1.00 0.00 C ATOM 54 CD1 PHE A 4 7.972 1.116 -1.706 1.00 0.00 C ATOM 55 CD2 PHE A 4 8.715 -0.530 -0.088 1.00 0.00 C ATOM 56 CE1 PHE A 4 9.025 0.755 -2.556 1.00 0.00 C ATOM 57 CE2 PHE A 4 9.768 -0.890 -0.937 1.00 0.00 C ATOM 58 CZ PHE A 4 9.922 -0.247 -2.171 1.00 0.00 C ATOM 0 H PHE A 4 8.195 0.441 2.276 1.00 0.00 H new ATOM 0 HA PHE A 4 7.450 2.867 0.758 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.384 -0.003 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.803 1.135 -0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 4 7.280 1.891 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 4 8.596 -1.026 0.864 1.00 0.00 H new ATOM 0 HE1 PHE A 4 9.144 1.250 -3.508 1.00 0.00 H new ATOM 0 HE2 PHE A 4 10.461 -1.663 -0.640 1.00 0.00 H new ATOM 0 HZ PHE A 4 10.734 -0.525 -2.826 1.00 0.00 H new ATOM 68 N LYS A 5 4.906 3.064 1.551 1.00 0.00 N ATOM 69 CA LYS A 5 3.720 3.562 2.315 1.00 0.00 C ATOM 70 C LYS A 5 2.429 3.313 1.529 1.00 0.00 C ATOM 71 O LYS A 5 2.199 3.912 0.496 1.00 0.00 O ATOM 72 CB LYS A 5 3.962 5.063 2.484 1.00 0.00 C ATOM 73 CG LYS A 5 3.126 5.587 3.652 1.00 0.00 C ATOM 74 CD LYS A 5 3.149 7.116 3.652 1.00 0.00 C ATOM 75 CE LYS A 5 4.348 7.608 4.466 1.00 0.00 C ATOM 76 NZ LYS A 5 3.846 7.716 5.864 1.00 0.00 N ATOM 0 H LYS A 5 4.857 3.198 0.541 1.00 0.00 H new ATOM 0 HA LYS A 5 3.607 3.053 3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 5 5.020 5.253 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.696 5.590 1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.100 5.228 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.520 5.207 4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.212 7.489 2.630 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.223 7.504 4.077 1.00 0.00 H new ATOM 0 HE2 LYS A 5 5.183 6.911 4.399 1.00 0.00 H new ATOM 0 HE3 LYS A 5 4.706 8.570 4.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.612 8.048 6.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 3.056 8.391 5.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 3.519 6.784 6.188 1.00 0.00 H new ATOM 90 N LEU A 6 1.587 2.434 2.013 1.00 0.00 N ATOM 91 CA LEU A 6 0.307 2.141 1.300 1.00 0.00 C ATOM 92 C LEU A 6 -0.825 3.001 1.863 1.00 0.00 C ATOM 93 O LEU A 6 -1.189 2.875 3.018 1.00 0.00 O ATOM 94 CB LEU A 6 0.026 0.654 1.582 1.00 0.00 C ATOM 95 CG LEU A 6 -0.792 -0.048 0.456 1.00 0.00 C ATOM 96 CD1 LEU A 6 -1.844 -0.958 1.096 1.00 0.00 C ATOM 97 CD2 LEU A 6 -1.518 0.946 -0.474 1.00 0.00 C ATOM 0 H LEU A 6 1.732 1.906 2.873 1.00 0.00 H new ATOM 0 HA LEU A 6 0.376 2.356 0.234 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.974 0.131 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.517 0.567 2.523 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.080 -0.611 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.421 -1.453 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.349 -1.709 1.713 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.512 -0.361 1.717 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.069 0.395 -1.236 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.212 1.550 0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.786 1.596 -0.954 1.00 0.00 H new ATOM 109 N ILE A 7 -1.394 3.863 1.057 1.00 0.00 N ATOM 110 CA ILE A 7 -2.514 4.716 1.550 1.00 0.00 C ATOM 111 C ILE A 7 -3.759 3.838 1.757 1.00 0.00 C ATOM 112 O ILE A 7 -3.760 2.670 1.411 1.00 0.00 O ATOM 113 CB ILE A 7 -2.705 5.803 0.460 1.00 0.00 C ATOM 114 CG1 ILE A 7 -3.151 7.104 1.124 1.00 0.00 C ATOM 115 CG2 ILE A 7 -3.746 5.395 -0.597 1.00 0.00 C ATOM 116 CD1 ILE A 7 -2.744 8.290 0.248 1.00 0.00 C ATOM 0 H ILE A 7 -1.131 4.011 0.083 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.319 5.189 2.512 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.750 5.932 -0.049 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.231 7.099 1.269 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.698 7.195 2.111 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -3.843 6.189 -1.337 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -3.424 4.477 -1.089 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.709 5.229 -0.114 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -3.062 9.219 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -1.661 8.298 0.126 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -3.218 8.200 -0.729 1.00 0.00 H new ATOM 128 N ILE A 8 -4.809 4.384 2.313 1.00 0.00 N ATOM 129 CA ILE A 8 -6.040 3.569 2.531 1.00 0.00 C ATOM 130 C ILE A 8 -7.273 4.337 2.050 1.00 0.00 C ATOM 131 O ILE A 8 -8.047 4.843 2.841 1.00 0.00 O ATOM 132 CB ILE A 8 -6.100 3.330 4.043 1.00 0.00 C ATOM 133 CG1 ILE A 8 -4.831 2.605 4.502 1.00 0.00 C ATOM 134 CG2 ILE A 8 -7.321 2.472 4.384 1.00 0.00 C ATOM 135 CD1 ILE A 8 -4.801 2.548 6.031 1.00 0.00 C ATOM 0 H ILE A 8 -4.867 5.354 2.624 1.00 0.00 H new ATOM 0 HA ILE A 8 -6.019 2.631 1.977 1.00 0.00 H new ATOM 0 HB ILE A 8 -6.177 4.291 4.552 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.806 1.596 4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -3.948 3.124 4.129 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.359 2.305 5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -8.228 2.986 4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -7.247 1.513 3.870 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.898 2.032 6.358 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -4.806 3.561 6.433 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -5.677 2.010 6.392 1.00 0.00 H new ATOM 147 N ASN A 9 -7.465 4.418 0.756 1.00 0.00 N ATOM 148 CA ASN A 9 -8.656 5.141 0.220 1.00 0.00 C ATOM 149 C ASN A 9 -9.760 4.131 -0.089 1.00 0.00 C ATOM 150 O ASN A 9 -10.390 4.175 -1.129 1.00 0.00 O ATOM 151 CB ASN A 9 -8.170 5.838 -1.059 1.00 0.00 C ATOM 152 CG ASN A 9 -8.323 7.355 -0.912 1.00 0.00 C ATOM 153 OD1 ASN A 9 -9.336 7.833 -0.442 1.00 0.00 O ATOM 154 ND2 ASN A 9 -7.352 8.136 -1.299 1.00 0.00 N ATOM 0 H ASN A 9 -6.849 4.015 0.050 1.00 0.00 H new ATOM 0 HA ASN A 9 -9.065 5.863 0.926 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -7.127 5.585 -1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -8.744 5.487 -1.916 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -7.444 9.148 -1.207 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.501 7.735 -1.694 1.00 0.00 H new ATOM 161 N GLY A 10 -9.988 3.220 0.817 1.00 0.00 N ATOM 162 CA GLY A 10 -11.040 2.186 0.608 1.00 0.00 C ATOM 163 C GLY A 10 -12.258 2.511 1.468 1.00 0.00 C ATOM 164 O GLY A 10 -12.163 3.224 2.449 1.00 0.00 O ATOM 0 H GLY A 10 -9.485 3.148 1.702 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.324 2.150 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -10.652 1.201 0.867 1.00 0.00 H new ATOM 168 N LYS A 11 -13.399 1.982 1.111 1.00 0.00 N ATOM 169 CA LYS A 11 -14.632 2.243 1.912 1.00 0.00 C ATOM 170 C LYS A 11 -14.629 1.402 3.199 1.00 0.00 C ATOM 171 O LYS A 11 -15.520 1.522 4.020 1.00 0.00 O ATOM 172 CB LYS A 11 -15.792 1.830 1.005 1.00 0.00 C ATOM 173 CG LYS A 11 -17.112 2.313 1.611 1.00 0.00 C ATOM 174 CD LYS A 11 -18.090 2.668 0.487 1.00 0.00 C ATOM 175 CE LYS A 11 -19.287 3.437 1.064 1.00 0.00 C ATOM 176 NZ LYS A 11 -20.460 2.539 0.863 1.00 0.00 N ATOM 0 H LYS A 11 -13.531 1.380 0.298 1.00 0.00 H new ATOM 0 HA LYS A 11 -14.705 3.286 2.219 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -15.659 2.256 0.010 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -15.808 0.746 0.888 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -17.538 1.537 2.247 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.937 3.183 2.244 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -17.587 3.273 -0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -18.434 1.760 -0.009 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -19.139 3.662 2.120 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -19.427 4.389 0.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -21.316 2.998 1.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -20.581 2.348 -0.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -20.302 1.643 1.367 1.00 0.00 H new ATOM 190 N THR A 12 -13.640 0.553 3.386 1.00 0.00 N ATOM 191 CA THR A 12 -13.595 -0.285 4.619 1.00 0.00 C ATOM 192 C THR A 12 -12.591 0.297 5.618 1.00 0.00 C ATOM 193 O THR A 12 -12.780 0.205 6.817 1.00 0.00 O ATOM 194 CB THR A 12 -13.143 -1.666 4.142 1.00 0.00 C ATOM 195 OG1 THR A 12 -13.838 -2.003 2.949 1.00 0.00 O ATOM 196 CG2 THR A 12 -13.448 -2.704 5.223 1.00 0.00 C ATOM 0 H THR A 12 -12.867 0.409 2.736 1.00 0.00 H new ATOM 0 HA THR A 12 -14.558 -0.326 5.127 1.00 0.00 H new ATOM 0 HB THR A 12 -12.071 -1.652 3.947 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.549 -2.887 2.640 1.00 0.00 H new ATOM 0 HG21 THR A 12 -13.126 -3.688 4.883 1.00 0.00 H new ATOM 0 HG22 THR A 12 -12.916 -2.444 6.138 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.520 -2.721 5.419 1.00 0.00 H new ATOM 204 N LEU A 13 -11.528 0.894 5.136 1.00 0.00 N ATOM 205 CA LEU A 13 -10.515 1.482 6.065 1.00 0.00 C ATOM 206 C LEU A 13 -10.142 2.901 5.623 1.00 0.00 C ATOM 207 O LEU A 13 -10.583 3.377 4.594 1.00 0.00 O ATOM 208 CB LEU A 13 -9.302 0.554 5.974 1.00 0.00 C ATOM 209 CG LEU A 13 -9.655 -0.812 6.567 1.00 0.00 C ATOM 210 CD1 LEU A 13 -8.587 -1.832 6.171 1.00 0.00 C ATOM 211 CD2 LEU A 13 -9.715 -0.708 8.093 1.00 0.00 C ATOM 0 H LEU A 13 -11.319 0.999 4.143 1.00 0.00 H new ATOM 0 HA LEU A 13 -10.892 1.560 7.085 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.994 0.442 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.458 0.988 6.511 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.625 -1.132 6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.839 -2.805 6.593 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.542 -1.909 5.085 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.618 -1.511 6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -9.966 -1.681 8.514 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.746 -0.387 8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -10.476 0.019 8.379 1.00 0.00 H new ATOM 223 N LYS A 14 -9.332 3.576 6.401 1.00 0.00 N ATOM 224 CA LYS A 14 -8.922 4.967 6.043 1.00 0.00 C ATOM 225 C LYS A 14 -7.635 5.345 6.785 1.00 0.00 C ATOM 226 O LYS A 14 -7.508 5.119 7.974 1.00 0.00 O ATOM 227 CB LYS A 14 -10.083 5.852 6.502 1.00 0.00 C ATOM 228 CG LYS A 14 -10.952 6.229 5.301 1.00 0.00 C ATOM 229 CD LYS A 14 -11.570 7.610 5.532 1.00 0.00 C ATOM 230 CE LYS A 14 -12.796 7.780 4.631 1.00 0.00 C ATOM 231 NZ LYS A 14 -13.491 8.989 5.154 1.00 0.00 N ATOM 0 H LYS A 14 -8.936 3.221 7.272 1.00 0.00 H new ATOM 0 HA LYS A 14 -8.721 5.078 4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -10.682 5.326 7.245 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -9.699 6.752 6.982 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -10.351 6.235 4.392 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.737 5.486 5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -11.856 7.721 6.578 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -10.837 8.388 5.317 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -12.505 7.911 3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.442 6.903 4.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.344 9.172 4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.762 8.832 6.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -12.854 9.809 5.095 1.00 0.00 H new ATOM 245 N GLY A 15 -6.683 5.914 6.090 1.00 0.00 N ATOM 246 CA GLY A 15 -5.401 6.306 6.744 1.00 0.00 C ATOM 247 C GLY A 15 -4.223 5.825 5.894 1.00 0.00 C ATOM 248 O GLY A 15 -4.295 5.796 4.680 1.00 0.00 O ATOM 0 H GLY A 15 -6.740 6.124 5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.358 7.389 6.863 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.343 5.873 7.742 1.00 0.00 H new ATOM 252 N GLU A 16 -3.139 5.448 6.525 1.00 0.00 N ATOM 253 CA GLU A 16 -1.948 4.968 5.761 1.00 0.00 C ATOM 254 C GLU A 16 -1.365 3.712 6.418 1.00 0.00 C ATOM 255 O GLU A 16 -1.814 3.285 7.465 1.00 0.00 O ATOM 256 CB GLU A 16 -0.946 6.121 5.829 1.00 0.00 C ATOM 257 CG GLU A 16 -1.394 7.246 4.892 1.00 0.00 C ATOM 258 CD GLU A 16 -0.888 8.587 5.426 1.00 0.00 C ATOM 259 OE1 GLU A 16 0.310 8.811 5.370 1.00 0.00 O ATOM 260 OE2 GLU A 16 -1.707 9.368 5.882 1.00 0.00 O ATOM 0 H GLU A 16 -3.028 5.452 7.539 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.197 4.701 4.734 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -0.873 6.493 6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.046 5.771 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.007 7.073 3.888 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.481 7.259 4.817 1.00 0.00 H new ATOM 267 N THR A 17 -0.368 3.121 5.809 1.00 0.00 N ATOM 268 CA THR A 17 0.253 1.893 6.391 1.00 0.00 C ATOM 269 C THR A 17 1.729 1.805 5.992 1.00 0.00 C ATOM 270 O THR A 17 2.083 2.009 4.845 1.00 0.00 O ATOM 271 CB THR A 17 -0.537 0.728 5.790 1.00 0.00 C ATOM 272 OG1 THR A 17 -1.925 1.031 5.828 1.00 0.00 O ATOM 273 CG2 THR A 17 -0.268 -0.544 6.595 1.00 0.00 C ATOM 0 H THR A 17 0.044 3.437 4.931 1.00 0.00 H new ATOM 0 HA THR A 17 0.220 1.890 7.480 1.00 0.00 H new ATOM 0 HB THR A 17 -0.226 0.572 4.757 1.00 0.00 H new ATOM 0 HG1 THR A 17 -2.442 0.224 5.621 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.831 -1.372 6.166 1.00 0.00 H new ATOM 0 HG22 THR A 17 0.797 -0.775 6.565 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.577 -0.392 7.629 1.00 0.00 H new ATOM 281 N THR A 18 2.590 1.503 6.931 1.00 0.00 N ATOM 282 CA THR A 18 4.047 1.400 6.616 1.00 0.00 C ATOM 283 C THR A 18 4.570 0.004 6.967 1.00 0.00 C ATOM 284 O THR A 18 3.953 -0.727 7.719 1.00 0.00 O ATOM 285 CB THR A 18 4.718 2.459 7.494 1.00 0.00 C ATOM 286 OG1 THR A 18 4.275 2.308 8.836 1.00 0.00 O ATOM 287 CG2 THR A 18 4.350 3.854 6.988 1.00 0.00 C ATOM 0 H THR A 18 2.346 1.323 7.905 1.00 0.00 H new ATOM 0 HA THR A 18 4.251 1.557 5.557 1.00 0.00 H new ATOM 0 HB THR A 18 5.800 2.334 7.451 1.00 0.00 H new ATOM 0 HG1 THR A 18 4.705 2.984 9.400 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.829 4.606 7.615 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.690 3.969 5.959 1.00 0.00 H new ATOM 0 HG23 THR A 18 3.268 3.982 7.029 1.00 0.00 H new ATOM 295 N THR A 19 5.704 -0.367 6.428 1.00 0.00 N ATOM 296 CA THR A 19 6.277 -1.715 6.726 1.00 0.00 C ATOM 297 C THR A 19 7.743 -1.779 6.282 1.00 0.00 C ATOM 298 O THR A 19 8.289 -0.817 5.775 1.00 0.00 O ATOM 299 CB THR A 19 5.419 -2.703 5.925 1.00 0.00 C ATOM 300 OG1 THR A 19 5.892 -4.024 6.150 1.00 0.00 O ATOM 301 CG2 THR A 19 5.497 -2.381 4.429 1.00 0.00 C ATOM 0 H THR A 19 6.259 0.207 5.793 1.00 0.00 H new ATOM 0 HA THR A 19 6.263 -1.943 7.792 1.00 0.00 H new ATOM 0 HB THR A 19 4.382 -2.620 6.250 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.720 -4.573 5.357 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.884 -3.089 3.872 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.131 -1.369 4.255 1.00 0.00 H new ATOM 0 HG23 THR A 19 6.532 -2.455 4.094 1.00 0.00 H new ATOM 309 N GLU A 20 8.378 -2.907 6.471 1.00 0.00 N ATOM 310 CA GLU A 20 9.808 -3.046 6.064 1.00 0.00 C ATOM 311 C GLU A 20 9.921 -3.973 4.849 1.00 0.00 C ATOM 312 O GLU A 20 9.543 -5.128 4.903 1.00 0.00 O ATOM 313 CB GLU A 20 10.510 -3.663 7.279 1.00 0.00 C ATOM 314 CG GLU A 20 11.337 -2.594 7.998 1.00 0.00 C ATOM 315 CD GLU A 20 10.505 -1.976 9.124 1.00 0.00 C ATOM 316 OE1 GLU A 20 9.335 -1.716 8.895 1.00 0.00 O ATOM 317 OE2 GLU A 20 11.053 -1.772 10.195 1.00 0.00 O ATOM 0 H GLU A 20 7.966 -3.740 6.891 1.00 0.00 H new ATOM 0 HA GLU A 20 10.252 -2.092 5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 20 9.772 -4.085 7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.155 -4.482 6.961 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.247 -3.035 8.404 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.645 -1.822 7.293 1.00 0.00 H new ATOM 324 N ALA A 21 10.437 -3.471 3.756 1.00 0.00 N ATOM 325 CA ALA A 21 10.577 -4.313 2.531 1.00 0.00 C ATOM 326 C ALA A 21 11.823 -3.897 1.745 1.00 0.00 C ATOM 327 O ALA A 21 12.117 -2.725 1.611 1.00 0.00 O ATOM 328 CB ALA A 21 9.313 -4.039 1.715 1.00 0.00 C ATOM 0 H ALA A 21 10.768 -2.511 3.660 1.00 0.00 H new ATOM 0 HA ALA A 21 10.688 -5.371 2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.340 -4.623 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.436 -4.320 2.298 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.261 -2.978 1.470 1.00 0.00 H new ATOM 334 N VAL A 22 12.557 -4.850 1.226 1.00 0.00 N ATOM 335 CA VAL A 22 13.787 -4.523 0.448 1.00 0.00 C ATOM 336 C VAL A 22 13.448 -3.613 -0.741 1.00 0.00 C ATOM 337 O VAL A 22 14.231 -2.763 -1.123 1.00 0.00 O ATOM 338 CB VAL A 22 14.324 -5.875 -0.034 1.00 0.00 C ATOM 339 CG1 VAL A 22 14.660 -6.754 1.173 1.00 0.00 C ATOM 340 CG2 VAL A 22 13.276 -6.585 -0.902 1.00 0.00 C ATOM 0 H VAL A 22 12.354 -5.846 1.310 1.00 0.00 H new ATOM 0 HA VAL A 22 14.521 -3.985 1.048 1.00 0.00 H new ATOM 0 HB VAL A 22 15.222 -5.704 -0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 22 15.042 -7.715 0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 22 15.417 -6.261 1.783 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.761 -6.913 1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.671 -7.544 -1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.371 -6.750 -0.318 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.041 -5.966 -1.768 1.00 0.00 H new ATOM 350 N ASP A 23 12.287 -3.785 -1.322 1.00 0.00 N ATOM 351 CA ASP A 23 11.890 -2.930 -2.485 1.00 0.00 C ATOM 352 C ASP A 23 10.415 -3.155 -2.832 1.00 0.00 C ATOM 353 O ASP A 23 9.705 -3.854 -2.135 1.00 0.00 O ATOM 354 CB ASP A 23 12.796 -3.358 -3.650 1.00 0.00 C ATOM 355 CG ASP A 23 12.711 -4.875 -3.875 1.00 0.00 C ATOM 356 OD1 ASP A 23 11.640 -5.427 -3.685 1.00 0.00 O ATOM 357 OD2 ASP A 23 13.722 -5.456 -4.233 1.00 0.00 O ATOM 0 H ASP A 23 11.596 -4.481 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 23 12.005 -1.869 -2.264 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.501 -2.833 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.827 -3.074 -3.439 1.00 0.00 H new ATOM 362 N ALA A 24 9.951 -2.561 -3.905 1.00 0.00 N ATOM 363 CA ALA A 24 8.521 -2.727 -4.307 1.00 0.00 C ATOM 364 C ALA A 24 8.175 -4.210 -4.482 1.00 0.00 C ATOM 365 O ALA A 24 7.038 -4.612 -4.319 1.00 0.00 O ATOM 366 CB ALA A 24 8.385 -1.985 -5.640 1.00 0.00 C ATOM 0 H ALA A 24 10.505 -1.966 -4.521 1.00 0.00 H new ATOM 0 HA ALA A 24 7.842 -2.334 -3.550 1.00 0.00 H new ATOM 0 HB1 ALA A 24 7.358 -2.064 -5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.641 -0.935 -5.500 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.059 -2.427 -6.373 1.00 0.00 H new ATOM 372 N ALA A 25 9.148 -5.024 -4.809 1.00 0.00 N ATOM 373 CA ALA A 25 8.881 -6.486 -4.993 1.00 0.00 C ATOM 374 C ALA A 25 8.328 -7.093 -3.699 1.00 0.00 C ATOM 375 O ALA A 25 7.615 -8.078 -3.722 1.00 0.00 O ATOM 376 CB ALA A 25 10.236 -7.106 -5.338 1.00 0.00 C ATOM 0 H ALA A 25 10.116 -4.740 -4.957 1.00 0.00 H new ATOM 0 HA ALA A 25 8.142 -6.670 -5.773 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.118 -8.179 -5.487 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.621 -6.653 -6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.936 -6.928 -4.522 1.00 0.00 H new ATOM 382 N THR A 26 8.652 -6.508 -2.573 1.00 0.00 N ATOM 383 CA THR A 26 8.148 -7.043 -1.273 1.00 0.00 C ATOM 384 C THR A 26 7.116 -6.084 -0.669 1.00 0.00 C ATOM 385 O THR A 26 6.241 -6.489 0.072 1.00 0.00 O ATOM 386 CB THR A 26 9.383 -7.132 -0.376 1.00 0.00 C ATOM 387 OG1 THR A 26 10.379 -7.912 -1.021 1.00 0.00 O ATOM 388 CG2 THR A 26 9.002 -7.782 0.954 1.00 0.00 C ATOM 0 H THR A 26 9.245 -5.681 -2.499 1.00 0.00 H new ATOM 0 HA THR A 26 7.656 -8.009 -1.388 1.00 0.00 H new ATOM 0 HB THR A 26 9.772 -6.131 -0.189 1.00 0.00 H new ATOM 0 HG1 THR A 26 10.926 -8.366 -0.347 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.882 -7.845 1.593 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.238 -7.181 1.447 1.00 0.00 H new ATOM 0 HG23 THR A 26 8.613 -8.784 0.771 1.00 0.00 H new ATOM 396 N ALA A 27 7.218 -4.816 -0.983 1.00 0.00 N ATOM 397 CA ALA A 27 6.247 -3.819 -0.430 1.00 0.00 C ATOM 398 C ALA A 27 4.819 -4.178 -0.848 1.00 0.00 C ATOM 399 O ALA A 27 3.964 -4.423 -0.017 1.00 0.00 O ATOM 400 CB ALA A 27 6.658 -2.478 -1.040 1.00 0.00 C ATOM 0 H ALA A 27 7.932 -4.427 -1.599 1.00 0.00 H new ATOM 0 HA ALA A 27 6.264 -3.794 0.660 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.990 -1.695 -0.681 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.682 -2.244 -0.748 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.595 -2.538 -2.127 1.00 0.00 H new ATOM 406 N GLU A 28 4.557 -4.209 -2.130 1.00 0.00 N ATOM 407 CA GLU A 28 3.182 -4.552 -2.613 1.00 0.00 C ATOM 408 C GLU A 28 2.790 -5.952 -2.137 1.00 0.00 C ATOM 409 O GLU A 28 1.648 -6.203 -1.814 1.00 0.00 O ATOM 410 CB GLU A 28 3.268 -4.510 -4.141 1.00 0.00 C ATOM 411 CG GLU A 28 1.942 -4.005 -4.716 1.00 0.00 C ATOM 412 CD GLU A 28 1.830 -4.420 -6.184 1.00 0.00 C ATOM 413 OE1 GLU A 28 2.153 -5.557 -6.485 1.00 0.00 O ATOM 414 OE2 GLU A 28 1.421 -3.593 -6.983 1.00 0.00 O ATOM 0 H GLU A 28 5.236 -4.012 -2.865 1.00 0.00 H new ATOM 0 HA GLU A 28 2.429 -3.862 -2.231 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.083 -3.856 -4.452 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.490 -5.504 -4.530 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.107 -4.414 -4.147 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.886 -2.920 -4.629 1.00 0.00 H new ATOM 421 N LYS A 29 3.729 -6.862 -2.089 1.00 0.00 N ATOM 422 CA LYS A 29 3.411 -8.253 -1.630 1.00 0.00 C ATOM 423 C LYS A 29 2.815 -8.229 -0.218 1.00 0.00 C ATOM 424 O LYS A 29 1.831 -8.889 0.060 1.00 0.00 O ATOM 425 CB LYS A 29 4.752 -8.993 -1.631 1.00 0.00 C ATOM 426 CG LYS A 29 4.526 -10.465 -1.284 1.00 0.00 C ATOM 427 CD LYS A 29 5.845 -11.230 -1.423 1.00 0.00 C ATOM 428 CE LYS A 29 5.884 -12.371 -0.404 1.00 0.00 C ATOM 429 NZ LYS A 29 7.127 -13.128 -0.723 1.00 0.00 N ATOM 0 H LYS A 29 4.703 -6.704 -2.347 1.00 0.00 H new ATOM 0 HA LYS A 29 2.677 -8.737 -2.275 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.225 -8.908 -2.609 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.430 -8.539 -0.909 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.146 -10.556 -0.266 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.773 -10.894 -1.945 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.942 -11.627 -2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.687 -10.556 -1.263 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.905 -11.989 0.617 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.002 -13.006 -0.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.225 -13.928 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.075 -13.485 -1.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.950 -12.500 -0.628 1.00 0.00 H new ATOM 443 N VAL A 30 3.405 -7.471 0.671 1.00 0.00 N ATOM 444 CA VAL A 30 2.879 -7.398 2.069 1.00 0.00 C ATOM 445 C VAL A 30 1.663 -6.468 2.127 1.00 0.00 C ATOM 446 O VAL A 30 0.670 -6.775 2.760 1.00 0.00 O ATOM 447 CB VAL A 30 4.037 -6.831 2.900 1.00 0.00 C ATOM 448 CG1 VAL A 30 3.603 -6.664 4.360 1.00 0.00 C ATOM 449 CG2 VAL A 30 5.227 -7.792 2.836 1.00 0.00 C ATOM 0 H VAL A 30 4.229 -6.899 0.489 1.00 0.00 H new ATOM 0 HA VAL A 30 2.552 -8.369 2.441 1.00 0.00 H new ATOM 0 HB VAL A 30 4.322 -5.860 2.496 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.432 -6.261 4.942 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.756 -5.979 4.412 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.312 -7.633 4.766 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.051 -7.391 3.426 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.933 -8.762 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.545 -7.908 1.800 1.00 0.00 H new ATOM 459 N PHE A 31 1.739 -5.333 1.478 1.00 0.00 N ATOM 460 CA PHE A 31 0.589 -4.380 1.502 1.00 0.00 C ATOM 461 C PHE A 31 -0.612 -4.979 0.767 1.00 0.00 C ATOM 462 O PHE A 31 -1.748 -4.757 1.144 1.00 0.00 O ATOM 463 CB PHE A 31 1.089 -3.116 0.795 1.00 0.00 C ATOM 464 CG PHE A 31 1.843 -2.237 1.774 1.00 0.00 C ATOM 465 CD1 PHE A 31 1.288 -1.928 3.025 1.00 0.00 C ATOM 466 CD2 PHE A 31 3.100 -1.728 1.424 1.00 0.00 C ATOM 467 CE1 PHE A 31 1.989 -1.112 3.921 1.00 0.00 C ATOM 468 CE2 PHE A 31 3.800 -0.912 2.322 1.00 0.00 C ATOM 469 CZ PHE A 31 3.245 -0.604 3.569 1.00 0.00 C ATOM 0 H PHE A 31 2.546 -5.026 0.934 1.00 0.00 H new ATOM 0 HA PHE A 31 0.259 -4.163 2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.739 -3.388 -0.037 1.00 0.00 H new ATOM 0 HB3 PHE A 31 0.246 -2.567 0.375 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.319 -2.320 3.297 1.00 0.00 H new ATOM 0 HD2 PHE A 31 3.530 -1.965 0.462 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.561 -0.874 4.884 1.00 0.00 H new ATOM 0 HE2 PHE A 31 4.769 -0.520 2.051 1.00 0.00 H new ATOM 0 HZ PHE A 31 3.786 0.026 4.260 1.00 0.00 H new ATOM 479 N LYS A 32 -0.374 -5.746 -0.269 1.00 0.00 N ATOM 480 CA LYS A 32 -1.512 -6.370 -1.011 1.00 0.00 C ATOM 481 C LYS A 32 -2.242 -7.339 -0.076 1.00 0.00 C ATOM 482 O LYS A 32 -3.457 -7.401 -0.055 1.00 0.00 O ATOM 483 CB LYS A 32 -0.879 -7.120 -2.188 1.00 0.00 C ATOM 484 CG LYS A 32 -1.970 -7.814 -3.008 1.00 0.00 C ATOM 485 CD LYS A 32 -2.766 -6.769 -3.791 1.00 0.00 C ATOM 486 CE LYS A 32 -4.231 -7.203 -3.883 1.00 0.00 C ATOM 487 NZ LYS A 32 -4.780 -6.457 -5.048 1.00 0.00 N ATOM 0 H LYS A 32 0.554 -5.966 -0.631 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.238 -5.637 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.325 -6.425 -2.818 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.164 -7.856 -1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.522 -8.533 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.634 -8.373 -2.349 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.694 -5.799 -3.300 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.347 -6.652 -4.791 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -4.315 -8.280 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -4.773 -6.961 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.783 -6.702 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -4.692 -5.435 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.249 -6.712 -5.905 1.00 0.00 H new ATOM 501 N GLN A 33 -1.500 -8.080 0.712 1.00 0.00 N ATOM 502 CA GLN A 33 -2.138 -9.035 1.670 1.00 0.00 C ATOM 503 C GLN A 33 -2.969 -8.252 2.682 1.00 0.00 C ATOM 504 O GLN A 33 -4.014 -8.689 3.127 1.00 0.00 O ATOM 505 CB GLN A 33 -0.977 -9.756 2.360 1.00 0.00 C ATOM 506 CG GLN A 33 -1.516 -10.946 3.156 1.00 0.00 C ATOM 507 CD GLN A 33 -1.761 -12.124 2.210 1.00 0.00 C ATOM 508 OE1 GLN A 33 -0.900 -12.963 2.030 1.00 0.00 O ATOM 509 NE2 GLN A 33 -2.908 -12.223 1.595 1.00 0.00 N ATOM 0 H GLN A 33 -0.480 -8.064 0.732 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.804 -9.743 1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.255 -10.098 1.618 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.451 -9.069 3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.805 -11.230 3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.443 -10.671 3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.630 -11.519 1.746 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -3.082 -13.005 0.963 1.00 0.00 H new ATOM 518 N TYR A 34 -2.510 -7.084 3.021 1.00 0.00 N ATOM 519 CA TYR A 34 -3.255 -6.217 3.983 1.00 0.00 C ATOM 520 C TYR A 34 -4.573 -5.782 3.323 1.00 0.00 C ATOM 521 O TYR A 34 -5.650 -6.050 3.821 1.00 0.00 O ATOM 522 CB TYR A 34 -2.295 -5.028 4.249 1.00 0.00 C ATOM 523 CG TYR A 34 -3.047 -3.750 4.560 1.00 0.00 C ATOM 524 CD1 TYR A 34 -3.526 -3.523 5.851 1.00 0.00 C ATOM 525 CD2 TYR A 34 -3.265 -2.804 3.552 1.00 0.00 C ATOM 526 CE1 TYR A 34 -4.226 -2.344 6.140 1.00 0.00 C ATOM 527 CE2 TYR A 34 -3.964 -1.626 3.837 1.00 0.00 C ATOM 528 CZ TYR A 34 -4.445 -1.395 5.132 1.00 0.00 C ATOM 529 OH TYR A 34 -5.136 -0.235 5.415 1.00 0.00 O ATOM 0 H TYR A 34 -1.640 -6.684 2.671 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.525 -6.704 4.920 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -1.637 -5.273 5.082 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.660 -4.872 3.377 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.357 -4.255 6.627 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -2.894 -2.983 2.554 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.597 -2.167 7.139 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -4.132 -0.896 3.059 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.193 -0.117 6.386 1.00 0.00 H new ATOM 539 N ALA A 35 -4.480 -5.113 2.204 1.00 0.00 N ATOM 540 CA ALA A 35 -5.708 -4.651 1.490 1.00 0.00 C ATOM 541 C ALA A 35 -6.584 -5.849 1.111 1.00 0.00 C ATOM 542 O ALA A 35 -7.783 -5.842 1.316 1.00 0.00 O ATOM 543 CB ALA A 35 -5.194 -3.946 0.234 1.00 0.00 C ATOM 0 H ALA A 35 -3.601 -4.865 1.751 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.320 -3.993 2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.039 -3.576 -0.347 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.557 -3.109 0.521 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.619 -4.649 -0.369 1.00 0.00 H new ATOM 549 N ASN A 36 -5.990 -6.876 0.554 1.00 0.00 N ATOM 550 CA ASN A 36 -6.776 -8.083 0.152 1.00 0.00 C ATOM 551 C ASN A 36 -7.550 -8.649 1.348 1.00 0.00 C ATOM 552 O ASN A 36 -8.590 -9.261 1.191 1.00 0.00 O ATOM 553 CB ASN A 36 -5.739 -9.096 -0.339 1.00 0.00 C ATOM 554 CG ASN A 36 -6.453 -10.283 -0.989 1.00 0.00 C ATOM 555 OD1 ASN A 36 -7.211 -10.979 -0.343 1.00 0.00 O ATOM 556 ND2 ASN A 36 -6.241 -10.546 -2.250 1.00 0.00 N ATOM 0 H ASN A 36 -4.990 -6.930 0.360 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.512 -7.847 -0.616 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -5.066 -8.625 -1.056 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.126 -9.439 0.495 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -6.712 -11.335 -2.692 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -5.605 -9.962 -2.793 1.00 0.00 H new ATOM 563 N ASP A 37 -7.047 -8.446 2.540 1.00 0.00 N ATOM 564 CA ASP A 37 -7.749 -8.969 3.753 1.00 0.00 C ATOM 565 C ASP A 37 -9.090 -8.255 3.929 1.00 0.00 C ATOM 566 O ASP A 37 -10.125 -8.883 4.056 1.00 0.00 O ATOM 567 CB ASP A 37 -6.819 -8.657 4.927 1.00 0.00 C ATOM 568 CG ASP A 37 -7.322 -9.375 6.180 1.00 0.00 C ATOM 569 OD1 ASP A 37 -7.385 -10.593 6.156 1.00 0.00 O ATOM 570 OD2 ASP A 37 -7.638 -8.695 7.142 1.00 0.00 O ATOM 0 H ASP A 37 -6.181 -7.941 2.726 1.00 0.00 H new ATOM 0 HA ASP A 37 -7.959 -10.036 3.678 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -5.803 -8.976 4.695 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -6.783 -7.582 5.101 1.00 0.00 H new ATOM 575 N ASN A 38 -9.077 -6.946 3.934 1.00 0.00 N ATOM 576 CA ASN A 38 -10.348 -6.179 4.098 1.00 0.00 C ATOM 577 C ASN A 38 -11.120 -6.157 2.777 1.00 0.00 C ATOM 578 O ASN A 38 -12.317 -6.372 2.745 1.00 0.00 O ATOM 579 CB ASN A 38 -9.915 -4.766 4.492 1.00 0.00 C ATOM 580 CG ASN A 38 -9.531 -4.744 5.973 1.00 0.00 C ATOM 581 OD1 ASN A 38 -10.378 -4.590 6.830 1.00 0.00 O ATOM 582 ND2 ASN A 38 -8.280 -4.893 6.313 1.00 0.00 N ATOM 0 H ASN A 38 -8.238 -6.375 3.831 1.00 0.00 H new ATOM 0 HA ASN A 38 -11.006 -6.623 4.845 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.069 -4.450 3.881 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.725 -4.061 4.305 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.014 -4.880 7.298 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.568 -5.022 5.594 1.00 0.00 H new ATOM 589 N GLY A 39 -10.440 -5.902 1.688 1.00 0.00 N ATOM 590 CA GLY A 39 -11.124 -5.869 0.363 1.00 0.00 C ATOM 591 C GLY A 39 -10.866 -4.525 -0.322 1.00 0.00 C ATOM 592 O GLY A 39 -11.788 -3.847 -0.736 1.00 0.00 O ATOM 0 H GLY A 39 -9.438 -5.715 1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.760 -6.683 -0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.195 -6.021 0.493 1.00 0.00 H new ATOM 596 N ILE A 40 -9.621 -4.139 -0.450 1.00 0.00 N ATOM 597 CA ILE A 40 -9.304 -2.841 -1.117 1.00 0.00 C ATOM 598 C ILE A 40 -8.798 -3.092 -2.541 1.00 0.00 C ATOM 599 O ILE A 40 -7.676 -2.763 -2.878 1.00 0.00 O ATOM 600 CB ILE A 40 -8.217 -2.191 -0.249 1.00 0.00 C ATOM 601 CG1 ILE A 40 -8.796 -1.901 1.142 1.00 0.00 C ATOM 602 CG2 ILE A 40 -7.746 -0.875 -0.893 1.00 0.00 C ATOM 603 CD1 ILE A 40 -7.703 -1.347 2.061 1.00 0.00 C ATOM 0 H ILE A 40 -8.812 -4.666 -0.122 1.00 0.00 H new ATOM 0 HA ILE A 40 -10.178 -2.196 -1.204 1.00 0.00 H new ATOM 0 HB ILE A 40 -7.367 -2.868 -0.165 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -9.613 -1.184 1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -9.213 -2.813 1.569 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -6.975 -0.421 -0.271 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -7.339 -1.080 -1.883 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -8.590 -0.191 -0.982 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -8.124 -1.144 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -6.900 -2.078 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -7.306 -0.424 1.639 1.00 0.00 H new ATOM 615 N ASP A 41 -9.626 -3.655 -3.384 1.00 0.00 N ATOM 616 CA ASP A 41 -9.207 -3.906 -4.795 1.00 0.00 C ATOM 617 C ASP A 41 -9.474 -2.647 -5.623 1.00 0.00 C ATOM 618 O ASP A 41 -10.186 -2.676 -6.610 1.00 0.00 O ATOM 619 CB ASP A 41 -10.080 -5.068 -5.273 1.00 0.00 C ATOM 620 CG ASP A 41 -9.307 -6.380 -5.128 1.00 0.00 C ATOM 621 OD1 ASP A 41 -8.241 -6.484 -5.712 1.00 0.00 O ATOM 622 OD2 ASP A 41 -9.793 -7.258 -4.434 1.00 0.00 O ATOM 0 H ASP A 41 -10.575 -3.952 -3.155 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.148 -4.145 -4.890 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.000 -5.109 -4.690 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.368 -4.916 -6.313 1.00 0.00 H new ATOM 627 N GLY A 42 -8.916 -1.538 -5.210 1.00 0.00 N ATOM 628 CA GLY A 42 -9.132 -0.258 -5.937 1.00 0.00 C ATOM 629 C GLY A 42 -8.147 -0.144 -7.096 1.00 0.00 C ATOM 630 O GLY A 42 -7.894 -1.095 -7.810 1.00 0.00 O ATOM 0 H GLY A 42 -8.313 -1.468 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.154 -0.211 -6.312 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.004 0.583 -5.256 1.00 0.00 H new ATOM 634 N GLU A 43 -7.584 1.020 -7.272 1.00 0.00 N ATOM 635 CA GLU A 43 -6.604 1.229 -8.361 1.00 0.00 C ATOM 636 C GLU A 43 -5.249 1.558 -7.749 1.00 0.00 C ATOM 637 O GLU A 43 -5.010 2.664 -7.299 1.00 0.00 O ATOM 638 CB GLU A 43 -7.141 2.405 -9.178 1.00 0.00 C ATOM 639 CG GLU A 43 -8.495 2.031 -9.783 1.00 0.00 C ATOM 640 CD GLU A 43 -9.392 3.269 -9.833 1.00 0.00 C ATOM 641 OE1 GLU A 43 -9.473 3.959 -8.829 1.00 0.00 O ATOM 642 OE2 GLU A 43 -9.984 3.507 -10.873 1.00 0.00 O ATOM 0 H GLU A 43 -7.768 1.842 -6.697 1.00 0.00 H new ATOM 0 HA GLU A 43 -6.475 0.349 -8.991 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.245 3.285 -8.543 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.437 2.664 -9.969 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -8.358 1.628 -10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.968 1.250 -9.187 1.00 0.00 H new ATOM 649 N TRP A 44 -4.378 0.592 -7.698 1.00 0.00 N ATOM 650 CA TRP A 44 -3.048 0.814 -7.082 1.00 0.00 C ATOM 651 C TRP A 44 -2.161 1.696 -7.951 1.00 0.00 C ATOM 652 O TRP A 44 -2.151 1.604 -9.164 1.00 0.00 O ATOM 653 CB TRP A 44 -2.439 -0.573 -6.922 1.00 0.00 C ATOM 654 CG TRP A 44 -3.150 -1.272 -5.815 1.00 0.00 C ATOM 655 CD1 TRP A 44 -4.405 -1.771 -5.893 1.00 0.00 C ATOM 656 CD2 TRP A 44 -2.683 -1.539 -4.464 1.00 0.00 C ATOM 657 NE1 TRP A 44 -4.735 -2.334 -4.674 1.00 0.00 N ATOM 658 CE2 TRP A 44 -3.706 -2.214 -3.761 1.00 0.00 C ATOM 659 CE3 TRP A 44 -1.481 -1.265 -3.787 1.00 0.00 C ATOM 660 CZ2 TRP A 44 -3.544 -2.602 -2.433 1.00 0.00 C ATOM 661 CZ3 TRP A 44 -1.314 -1.656 -2.449 1.00 0.00 C ATOM 662 CH2 TRP A 44 -2.345 -2.323 -1.773 1.00 0.00 C ATOM 0 H TRP A 44 -4.534 -0.349 -8.060 1.00 0.00 H new ATOM 0 HA TRP A 44 -3.140 1.335 -6.129 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.532 -1.138 -7.850 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -1.374 -0.497 -6.701 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -5.043 -1.735 -6.763 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.629 -2.783 -4.474 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -0.682 -0.751 -4.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.341 -3.116 -1.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.387 -1.442 -1.938 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.212 -2.621 -0.743 1.00 0.00 H new ATOM 673 N THR A 45 -1.402 2.535 -7.313 1.00 0.00 N ATOM 674 CA THR A 45 -0.472 3.437 -8.037 1.00 0.00 C ATOM 675 C THR A 45 0.711 3.734 -7.124 1.00 0.00 C ATOM 676 O THR A 45 0.542 4.045 -5.959 1.00 0.00 O ATOM 677 CB THR A 45 -1.267 4.707 -8.329 1.00 0.00 C ATOM 678 OG1 THR A 45 -2.059 5.042 -7.199 1.00 0.00 O ATOM 679 CG2 THR A 45 -2.173 4.479 -9.540 1.00 0.00 C ATOM 0 H THR A 45 -1.387 2.636 -6.298 1.00 0.00 H new ATOM 0 HA THR A 45 -0.089 3.004 -8.961 1.00 0.00 H new ATOM 0 HB THR A 45 -0.577 5.524 -8.543 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.568 5.858 -7.387 1.00 0.00 H new ATOM 0 HG21 THR A 45 -2.740 5.387 -9.747 1.00 0.00 H new ATOM 0 HG22 THR A 45 -1.564 4.226 -10.408 1.00 0.00 H new ATOM 0 HG23 THR A 45 -2.862 3.661 -9.330 1.00 0.00 H new ATOM 687 N TYR A 46 1.902 3.617 -7.634 1.00 0.00 N ATOM 688 CA TYR A 46 3.104 3.864 -6.790 1.00 0.00 C ATOM 689 C TYR A 46 3.701 5.241 -7.112 1.00 0.00 C ATOM 690 O TYR A 46 3.782 5.644 -8.257 1.00 0.00 O ATOM 691 CB TYR A 46 4.060 2.714 -7.163 1.00 0.00 C ATOM 692 CG TYR A 46 5.473 2.988 -6.682 1.00 0.00 C ATOM 693 CD1 TYR A 46 6.337 3.760 -7.469 1.00 0.00 C ATOM 694 CD2 TYR A 46 5.919 2.463 -5.463 1.00 0.00 C ATOM 695 CE1 TYR A 46 7.645 4.006 -7.038 1.00 0.00 C ATOM 696 CE2 TYR A 46 7.226 2.711 -5.032 1.00 0.00 C ATOM 697 CZ TYR A 46 8.090 3.482 -5.820 1.00 0.00 C ATOM 698 OH TYR A 46 9.382 3.724 -5.399 1.00 0.00 O ATOM 0 H TYR A 46 2.097 3.360 -8.602 1.00 0.00 H new ATOM 0 HA TYR A 46 2.892 3.880 -5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 46 3.699 1.783 -6.725 1.00 0.00 H new ATOM 0 HB3 TYR A 46 4.063 2.578 -8.244 1.00 0.00 H new ATOM 0 HD1 TYR A 46 5.993 4.166 -8.409 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.254 1.867 -4.856 1.00 0.00 H new ATOM 0 HE1 TYR A 46 8.311 4.600 -7.646 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.569 2.308 -4.091 1.00 0.00 H new ATOM 0 HH TYR A 46 9.846 4.273 -6.066 1.00 0.00 H new ATOM 708 N ASP A 47 4.126 5.952 -6.100 1.00 0.00 N ATOM 709 CA ASP A 47 4.732 7.296 -6.321 1.00 0.00 C ATOM 710 C ASP A 47 6.230 7.237 -6.018 1.00 0.00 C ATOM 711 O ASP A 47 6.638 7.186 -4.871 1.00 0.00 O ATOM 712 CB ASP A 47 4.016 8.221 -5.336 1.00 0.00 C ATOM 713 CG ASP A 47 2.892 8.966 -6.058 1.00 0.00 C ATOM 714 OD1 ASP A 47 3.196 9.894 -6.789 1.00 0.00 O ATOM 715 OD2 ASP A 47 1.745 8.596 -5.868 1.00 0.00 O ATOM 0 H ASP A 47 4.078 5.656 -5.125 1.00 0.00 H new ATOM 0 HA ASP A 47 4.623 7.644 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.609 7.642 -4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.723 8.933 -4.910 1.00 0.00 H new ATOM 720 N ASP A 48 7.048 7.232 -7.039 1.00 0.00 N ATOM 721 CA ASP A 48 8.527 7.166 -6.826 1.00 0.00 C ATOM 722 C ASP A 48 9.025 8.407 -6.073 1.00 0.00 C ATOM 723 O ASP A 48 10.087 8.392 -5.479 1.00 0.00 O ATOM 724 CB ASP A 48 9.136 7.102 -8.232 1.00 0.00 C ATOM 725 CG ASP A 48 8.730 8.342 -9.037 1.00 0.00 C ATOM 726 OD1 ASP A 48 9.123 9.430 -8.649 1.00 0.00 O ATOM 727 OD2 ASP A 48 8.034 8.179 -10.025 1.00 0.00 O ATOM 0 H ASP A 48 6.755 7.271 -8.015 1.00 0.00 H new ATOM 0 HA ASP A 48 8.811 6.304 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.222 7.042 -8.164 1.00 0.00 H new ATOM 0 HB3 ASP A 48 8.798 6.200 -8.743 1.00 0.00 H new ATOM 732 N ALA A 49 8.271 9.482 -6.095 1.00 0.00 N ATOM 733 CA ALA A 49 8.702 10.727 -5.385 1.00 0.00 C ATOM 734 C ALA A 49 9.015 10.431 -3.913 1.00 0.00 C ATOM 735 O ALA A 49 9.965 10.948 -3.357 1.00 0.00 O ATOM 736 CB ALA A 49 7.515 11.686 -5.494 1.00 0.00 C ATOM 0 H ALA A 49 7.374 9.549 -6.576 1.00 0.00 H new ATOM 0 HA ALA A 49 9.608 11.147 -5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.758 12.624 -4.994 1.00 0.00 H new ATOM 0 HB2 ALA A 49 7.299 11.880 -6.545 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.641 11.239 -5.021 1.00 0.00 H new ATOM 742 N THR A 50 8.220 9.602 -3.285 1.00 0.00 N ATOM 743 CA THR A 50 8.463 9.266 -1.849 1.00 0.00 C ATOM 744 C THR A 50 8.016 7.830 -1.550 1.00 0.00 C ATOM 745 O THR A 50 7.753 7.480 -0.415 1.00 0.00 O ATOM 746 CB THR A 50 7.614 10.266 -1.058 1.00 0.00 C ATOM 747 OG1 THR A 50 6.248 10.113 -1.417 1.00 0.00 O ATOM 748 CG2 THR A 50 8.070 11.692 -1.372 1.00 0.00 C ATOM 0 H THR A 50 7.412 9.143 -3.705 1.00 0.00 H new ATOM 0 HA THR A 50 9.519 9.328 -1.588 1.00 0.00 H new ATOM 0 HB THR A 50 7.734 10.078 0.009 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.703 10.751 -0.910 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.464 12.400 -0.808 1.00 0.00 H new ATOM 0 HG22 THR A 50 9.117 11.809 -1.094 1.00 0.00 H new ATOM 0 HG23 THR A 50 7.954 11.884 -2.439 1.00 0.00 H new ATOM 756 N LYS A 51 7.927 6.991 -2.560 1.00 0.00 N ATOM 757 CA LYS A 51 7.496 5.568 -2.342 1.00 0.00 C ATOM 758 C LYS A 51 6.187 5.513 -1.545 1.00 0.00 C ATOM 759 O LYS A 51 6.198 5.490 -0.328 1.00 0.00 O ATOM 760 CB LYS A 51 8.636 4.917 -1.544 1.00 0.00 C ATOM 761 CG LYS A 51 9.397 3.931 -2.435 1.00 0.00 C ATOM 762 CD LYS A 51 10.660 4.601 -2.982 1.00 0.00 C ATOM 763 CE LYS A 51 11.765 4.544 -1.925 1.00 0.00 C ATOM 764 NZ LYS A 51 12.556 5.790 -2.127 1.00 0.00 N ATOM 0 H LYS A 51 8.135 7.232 -3.529 1.00 0.00 H new ATOM 0 HA LYS A 51 7.311 5.054 -3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 51 9.315 5.684 -1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 51 8.233 4.399 -0.674 1.00 0.00 H new ATOM 0 HG2 LYS A 51 9.663 3.041 -1.865 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.761 3.604 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 51 10.986 4.098 -3.892 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.449 5.637 -3.248 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.347 4.500 -0.919 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.386 3.657 -2.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 13.334 5.823 -1.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 12.947 5.801 -3.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 11.940 6.617 -1.994 1.00 0.00 H new ATOM 778 N THR A 52 5.064 5.495 -2.219 1.00 0.00 N ATOM 779 CA THR A 52 3.760 5.446 -1.491 1.00 0.00 C ATOM 780 C THR A 52 2.691 4.723 -2.316 1.00 0.00 C ATOM 781 O THR A 52 2.066 5.307 -3.180 1.00 0.00 O ATOM 782 CB THR A 52 3.369 6.911 -1.286 1.00 0.00 C ATOM 783 OG1 THR A 52 4.470 7.621 -0.737 1.00 0.00 O ATOM 784 CG2 THR A 52 2.177 6.995 -0.331 1.00 0.00 C ATOM 0 H THR A 52 4.994 5.512 -3.236 1.00 0.00 H new ATOM 0 HA THR A 52 3.845 4.900 -0.551 1.00 0.00 H new ATOM 0 HB THR A 52 3.094 7.351 -2.245 1.00 0.00 H new ATOM 0 HG1 THR A 52 4.711 8.361 -1.332 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.900 8.039 -0.186 1.00 0.00 H new ATOM 0 HG22 THR A 52 1.333 6.451 -0.754 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.448 6.555 0.629 1.00 0.00 H new ATOM 792 N PHE A 53 2.457 3.461 -2.037 1.00 0.00 N ATOM 793 CA PHE A 53 1.403 2.706 -2.787 1.00 0.00 C ATOM 794 C PHE A 53 0.046 3.367 -2.538 1.00 0.00 C ATOM 795 O PHE A 53 -0.327 3.608 -1.405 1.00 0.00 O ATOM 796 CB PHE A 53 1.417 1.293 -2.202 1.00 0.00 C ATOM 797 CG PHE A 53 2.618 0.541 -2.707 1.00 0.00 C ATOM 798 CD1 PHE A 53 2.546 -0.157 -3.915 1.00 0.00 C ATOM 799 CD2 PHE A 53 3.801 0.540 -1.964 1.00 0.00 C ATOM 800 CE1 PHE A 53 3.663 -0.860 -4.383 1.00 0.00 C ATOM 801 CE2 PHE A 53 4.918 -0.161 -2.429 1.00 0.00 C ATOM 802 CZ PHE A 53 4.850 -0.862 -3.639 1.00 0.00 C ATOM 0 H PHE A 53 2.950 2.923 -1.324 1.00 0.00 H new ATOM 0 HA PHE A 53 1.582 2.693 -3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.439 1.341 -1.113 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.504 0.766 -2.480 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.630 -0.154 -4.487 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.853 1.081 -1.030 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.609 -1.400 -5.317 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.833 -0.162 -1.855 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.712 -1.404 -3.999 1.00 0.00 H new ATOM 812 N THR A 54 -0.680 3.689 -3.576 1.00 0.00 N ATOM 813 CA THR A 54 -1.998 4.368 -3.369 1.00 0.00 C ATOM 814 C THR A 54 -3.162 3.602 -4.020 1.00 0.00 C ATOM 815 O THR A 54 -3.329 3.621 -5.225 1.00 0.00 O ATOM 816 CB THR A 54 -1.826 5.740 -4.030 1.00 0.00 C ATOM 817 OG1 THR A 54 -0.725 6.412 -3.434 1.00 0.00 O ATOM 818 CG2 THR A 54 -3.095 6.579 -3.844 1.00 0.00 C ATOM 0 H THR A 54 -0.424 3.515 -4.548 1.00 0.00 H new ATOM 0 HA THR A 54 -2.250 4.428 -2.310 1.00 0.00 H new ATOM 0 HB THR A 54 -1.645 5.603 -5.096 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.610 7.289 -3.855 1.00 0.00 H new ATOM 0 HG21 THR A 54 -2.961 7.551 -4.318 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.941 6.066 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.287 6.717 -2.780 1.00 0.00 H new ATOM 826 N VAL A 55 -3.998 2.970 -3.222 1.00 0.00 N ATOM 827 CA VAL A 55 -5.179 2.257 -3.779 1.00 0.00 C ATOM 828 C VAL A 55 -6.448 3.047 -3.429 1.00 0.00 C ATOM 829 O VAL A 55 -6.420 3.949 -2.609 1.00 0.00 O ATOM 830 CB VAL A 55 -5.210 0.850 -3.147 1.00 0.00 C ATOM 831 CG1 VAL A 55 -5.488 0.931 -1.649 1.00 0.00 C ATOM 832 CG2 VAL A 55 -6.320 0.026 -3.803 1.00 0.00 C ATOM 0 H VAL A 55 -3.905 2.922 -2.207 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.122 2.169 -4.864 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.238 0.383 -3.304 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.505 -0.074 -1.227 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.705 1.515 -1.165 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.453 1.410 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.345 -0.969 -3.359 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.280 0.518 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.127 -0.059 -4.872 1.00 0.00 H new ATOM 842 N THR A 56 -7.548 2.715 -4.042 1.00 0.00 N ATOM 843 CA THR A 56 -8.819 3.437 -3.763 1.00 0.00 C ATOM 844 C THR A 56 -10.013 2.588 -4.212 1.00 0.00 C ATOM 845 O THR A 56 -10.229 2.387 -5.394 1.00 0.00 O ATOM 846 CB THR A 56 -8.716 4.710 -4.604 1.00 0.00 C ATOM 847 OG1 THR A 56 -7.598 5.471 -4.171 1.00 0.00 O ATOM 848 CG2 THR A 56 -9.990 5.547 -4.456 1.00 0.00 C ATOM 0 H THR A 56 -7.622 1.967 -4.731 1.00 0.00 H new ATOM 0 HA THR A 56 -8.965 3.649 -2.704 1.00 0.00 H new ATOM 0 HB THR A 56 -8.593 4.435 -5.651 1.00 0.00 H new ATOM 0 HG1 THR A 56 -7.284 5.129 -3.308 1.00 0.00 H new ATOM 0 HG21 THR A 56 -9.904 6.451 -5.060 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.848 4.966 -4.793 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.126 5.821 -3.410 1.00 0.00 H new ATOM 856 N GLU A 57 -10.788 2.095 -3.280 1.00 0.00 N ATOM 857 CA GLU A 57 -11.972 1.262 -3.647 1.00 0.00 C ATOM 858 C GLU A 57 -13.193 2.157 -3.882 1.00 0.00 C ATOM 859 O GLU A 57 -13.027 3.366 -3.874 1.00 0.00 O ATOM 860 CB GLU A 57 -12.203 0.345 -2.446 1.00 0.00 C ATOM 861 CG GLU A 57 -12.852 -0.958 -2.915 1.00 0.00 C ATOM 862 CD GLU A 57 -14.374 -0.832 -2.832 1.00 0.00 C ATOM 863 OE1 GLU A 57 -14.882 -0.751 -1.726 1.00 0.00 O ATOM 864 OE2 GLU A 57 -15.005 -0.818 -3.876 1.00 0.00 O ATOM 865 OXT GLU A 57 -14.271 1.618 -4.068 1.00 0.00 O ATOM 0 H GLU A 57 -10.651 2.234 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 57 -11.810 0.696 -4.564 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -11.256 0.134 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -12.843 0.840 -1.715 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.551 -1.178 -3.939 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.512 -1.789 -2.297 1.00 0.00 H new