USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 443 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 54 THR OG1 : rot 160:sc= 0.479 USER MOD Set 1.2: A 66 ASN : amide:sc= 0.505 K(o=0.98,f=0.28) USER MOD Set 2.1: A 39 ASN : amide:sc= 1.3 K(o=2.7,f=-4.6!) USER MOD Set 2.2: A 49 GLN : amide:sc= 0.755 K(o=2.7,f=-2.1!) USER MOD Set 2.3: A 68 THR OG1 : rot 29:sc= 0.279 USER MOD Set 2.4: A 69 SER OG : rot 71:sc= 0.373 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl -168:sc= -0.579 (180deg=-0.754) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.0259 K(o=-0.026,f=-1.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -50:sc= 0.923 USER MOD Single : A 27 SER OG : rot 180:sc= -0.282 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.0076) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0669 X(o=-0.067,f=-0.11) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 36 N LYS A 4 3.254 -5.595 7.837 1.00 49.53 N ATOM 37 CA LYS A 4 3.489 -4.435 6.984 1.00 50.07 C ATOM 38 C LYS A 4 4.230 -4.826 5.713 1.00 50.51 C ATOM 39 O LYS A 4 5.079 -5.719 5.728 1.00 49.49 O ATOM 40 CB LYS A 4 4.273 -3.364 7.742 1.00 49.82 C ATOM 41 CG LYS A 4 3.520 -2.739 8.909 1.00 49.82 C ATOM 42 CD LYS A 4 4.379 -1.717 9.639 1.00 49.82 C ATOM 43 CE LYS A 4 3.626 -1.094 10.807 1.00 50.21 C ATOM 44 NZ LYS A 4 4.454 -0.090 11.529 1.00 49.70 N ATOM 0 HA LYS A 4 2.518 -4.028 6.700 1.00 50.07 H new ATOM 0 HB2 LYS A 4 5.197 -3.804 8.116 1.00 49.82 H new ATOM 0 HB3 LYS A 4 4.555 -2.576 7.044 1.00 49.82 H new ATOM 0 HG2 LYS A 4 2.612 -2.259 8.543 1.00 49.82 H new ATOM 0 HG3 LYS A 4 3.210 -3.519 9.604 1.00 49.82 H new ATOM 0 HD2 LYS A 4 5.287 -2.196 10.004 1.00 49.82 H new ATOM 0 HD3 LYS A 4 4.688 -0.936 8.944 1.00 49.82 H new ATOM 0 HE2 LYS A 4 2.716 -0.618 10.440 1.00 50.21 H new ATOM 0 HE3 LYS A 4 3.319 -1.877 11.500 1.00 50.21 H new ATOM 0 HZ1 LYS A 4 3.905 0.311 12.317 1.00 49.70 H new ATOM 0 HZ2 LYS A 4 5.310 -0.549 11.901 1.00 49.70 H new ATOM 0 HZ3 LYS A 4 4.726 0.671 10.874 1.00 49.70 H new ATOM 58 N MET A 5 3.907 -4.155 4.615 1.00 49.53 N ATOM 59 CA MET A 5 4.546 -4.426 3.333 1.00 50.07 C ATOM 60 C MET A 5 4.652 -3.162 2.490 1.00 50.51 C ATOM 61 O MET A 5 4.011 -2.152 2.785 1.00 49.49 O ATOM 62 CB MET A 5 3.774 -5.503 2.574 1.00 49.82 C ATOM 63 CG MET A 5 2.351 -5.111 2.197 1.00 49.86 C ATOM 64 SD MET A 5 1.478 -6.421 1.317 1.00 49.91 S ATOM 65 CE MET A 5 2.314 -6.381 -0.266 1.00 49.78 C ATOM 0 H MET A 5 3.204 -3.417 4.586 1.00 49.53 H new ATOM 0 HA MET A 5 5.556 -4.785 3.531 1.00 50.07 H new ATOM 0 HB2 MET A 5 4.322 -5.753 1.665 1.00 49.82 H new ATOM 0 HB3 MET A 5 3.740 -6.406 3.184 1.00 49.82 H new ATOM 0 HG2 MET A 5 1.798 -4.855 3.100 1.00 49.86 H new ATOM 0 HG3 MET A 5 2.378 -4.216 1.575 1.00 49.86 H new ATOM 0 HE1 MET A 5 1.756 -6.978 -0.987 1.00 49.78 H new ATOM 0 HE2 MET A 5 2.377 -5.351 -0.618 1.00 49.78 H new ATOM 0 HE3 MET A 5 3.319 -6.789 -0.157 1.00 49.78 H new ATOM 75 N THR A 6 5.465 -3.221 1.442 1.00 49.53 N ATOM 76 CA THR A 6 5.680 -2.071 0.572 1.00 50.07 C ATOM 77 C THR A 6 5.314 -2.395 -0.871 1.00 50.51 C ATOM 78 O THR A 6 5.163 -3.562 -1.236 1.00 49.49 O ATOM 79 CB THR A 6 7.141 -1.587 0.624 1.00 50.14 C ATOM 80 OG1 THR A 6 8.004 -2.614 0.118 1.00 49.34 O ATOM 81 CG2 THR A 6 7.541 -1.252 2.053 1.00 49.73 C ATOM 0 H THR A 6 5.987 -4.055 1.174 1.00 49.53 H new ATOM 0 HA THR A 6 5.031 -1.276 0.938 1.00 50.07 H new ATOM 0 HB THR A 6 7.234 -0.690 0.012 1.00 50.14 H new ATOM 0 HG1 THR A 6 8.934 -2.305 0.150 1.00 49.34 H new ATOM 0 HG21 THR A 6 8.576 -0.912 2.071 1.00 49.73 H new ATOM 0 HG22 THR A 6 6.893 -0.464 2.437 1.00 49.73 H new ATOM 0 HG23 THR A 6 7.440 -2.140 2.677 1.00 49.73 H new ATOM 89 N GLY A 7 5.174 -1.356 -1.688 1.00 49.53 N ATOM 90 CA GLY A 7 4.892 -1.532 -3.108 1.00 49.98 C ATOM 91 C GLY A 7 4.929 -0.199 -3.846 1.00 50.51 C ATOM 92 O GLY A 7 5.205 0.843 -3.250 1.00 49.49 O ATOM 0 H GLY A 7 5.251 -0.383 -1.391 1.00 49.53 H new ATOM 0 HA2 GLY A 7 5.622 -2.213 -3.545 1.00 49.98 H new ATOM 0 HA3 GLY A 7 3.912 -1.993 -3.233 1.00 49.98 H new ATOM 96 N ILE A 8 4.650 -0.238 -5.144 1.00 49.53 N ATOM 97 CA ILE A 8 4.660 0.965 -5.966 1.00 50.07 C ATOM 98 C ILE A 8 3.275 1.262 -6.526 1.00 50.51 C ATOM 99 O ILE A 8 2.652 0.407 -7.156 1.00 49.49 O ATOM 100 CB ILE A 8 5.659 0.844 -7.132 1.00 49.91 C ATOM 101 CG1 ILE A 8 7.082 0.658 -6.599 1.00 49.82 C ATOM 102 CG2 ILE A 8 5.579 2.069 -8.030 1.00 49.73 C ATOM 103 CD1 ILE A 8 8.095 0.312 -7.666 1.00 49.73 C ATOM 0 H ILE A 8 4.414 -1.092 -5.650 1.00 49.53 H new ATOM 0 HA ILE A 8 4.969 1.785 -5.318 1.00 50.07 H new ATOM 0 HB ILE A 8 5.396 -0.033 -7.724 1.00 49.91 H new ATOM 0 HG12 ILE A 8 7.395 1.574 -6.098 1.00 49.82 H new ATOM 0 HG13 ILE A 8 7.078 -0.131 -5.847 1.00 49.82 H new ATOM 0 HG21 ILE A 8 6.291 1.967 -8.849 1.00 49.73 H new ATOM 0 HG22 ILE A 8 4.571 2.158 -8.435 1.00 49.73 H new ATOM 0 HG23 ILE A 8 5.817 2.961 -7.451 1.00 49.73 H new ATOM 0 HD11 ILE A 8 9.078 0.196 -7.210 1.00 49.73 H new ATOM 0 HD12 ILE A 8 7.808 -0.621 -8.151 1.00 49.73 H new ATOM 0 HD13 ILE A 8 8.130 1.111 -8.407 1.00 49.73 H new ATOM 115 N VAL A 9 2.796 2.479 -6.292 1.00 49.53 N ATOM 116 CA VAL A 9 1.478 2.888 -6.761 1.00 50.07 C ATOM 117 C VAL A 9 1.392 2.826 -8.281 1.00 50.51 C ATOM 118 O VAL A 9 2.205 3.427 -8.983 1.00 49.49 O ATOM 119 CB VAL A 9 1.128 4.313 -6.294 1.00 49.91 C ATOM 120 CG1 VAL A 9 -0.215 4.745 -6.865 1.00 49.73 C ATOM 121 CG2 VAL A 9 1.109 4.386 -4.775 1.00 49.73 C ATOM 0 H VAL A 9 3.303 3.201 -5.779 1.00 49.53 H new ATOM 0 HA VAL A 9 0.761 2.190 -6.330 1.00 50.07 H new ATOM 0 HB VAL A 9 1.895 4.995 -6.662 1.00 49.91 H new ATOM 0 HG11 VAL A 9 -0.447 5.754 -6.525 1.00 49.73 H new ATOM 0 HG12 VAL A 9 -0.169 4.730 -7.954 1.00 49.73 H new ATOM 0 HG13 VAL A 9 -0.992 4.060 -6.525 1.00 49.73 H new ATOM 0 HG21 VAL A 9 0.860 5.400 -4.463 1.00 49.73 H new ATOM 0 HG22 VAL A 9 0.363 3.693 -4.387 1.00 49.73 H new ATOM 0 HG23 VAL A 9 2.091 4.117 -4.386 1.00 49.73 H new ATOM 131 N LYS A 10 0.400 2.098 -8.783 1.00 49.53 N ATOM 132 CA LYS A 10 0.219 1.940 -10.221 1.00 50.07 C ATOM 133 C LYS A 10 -0.655 3.049 -10.792 1.00 50.51 C ATOM 134 O LYS A 10 -0.298 3.688 -11.781 1.00 49.49 O ATOM 135 CB LYS A 10 -0.392 0.574 -10.537 1.00 49.82 C ATOM 136 CG LYS A 10 -0.514 0.267 -12.024 1.00 49.82 C ATOM 137 CD LYS A 10 -1.077 -1.127 -12.258 1.00 49.82 C ATOM 138 CE LYS A 10 -1.135 -1.461 -13.741 1.00 50.21 C ATOM 139 NZ LYS A 10 -1.594 -2.856 -13.981 1.00 49.70 N ATOM 0 H LYS A 10 -0.291 1.608 -8.215 1.00 49.53 H new ATOM 0 HA LYS A 10 1.201 2.006 -10.689 1.00 50.07 H new ATOM 0 HB2 LYS A 10 0.216 -0.199 -10.068 1.00 49.82 H new ATOM 0 HB3 LYS A 10 -1.382 0.519 -10.085 1.00 49.82 H new ATOM 0 HG2 LYS A 10 -1.160 1.006 -12.498 1.00 49.82 H new ATOM 0 HG3 LYS A 10 0.465 0.350 -12.496 1.00 49.82 H new ATOM 0 HD2 LYS A 10 -0.459 -1.862 -11.742 1.00 49.82 H new ATOM 0 HD3 LYS A 10 -2.077 -1.194 -11.829 1.00 49.82 H new ATOM 0 HE2 LYS A 10 -1.809 -0.766 -14.243 1.00 50.21 H new ATOM 0 HE3 LYS A 10 -0.148 -1.323 -14.182 1.00 50.21 H new ATOM 0 HZ1 LYS A 10 -1.619 -3.042 -15.004 1.00 49.70 H new ATOM 0 HZ2 LYS A 10 -0.938 -3.521 -13.524 1.00 49.70 H new ATOM 0 HZ3 LYS A 10 -2.547 -2.981 -13.583 1.00 49.70 H new ATOM 153 N TRP A 11 -1.804 3.274 -10.161 1.00 49.53 N ATOM 154 CA TRP A 11 -2.680 4.378 -10.533 1.00 50.07 C ATOM 155 C TRP A 11 -3.672 4.694 -9.422 1.00 50.51 C ATOM 156 O TRP A 11 -4.056 3.813 -8.652 1.00 49.49 O ATOM 157 CB TRP A 11 -3.428 4.052 -11.828 1.00 49.82 C ATOM 158 CG TRP A 11 -4.381 2.904 -11.695 1.00 49.97 C ATOM 159 CD1 TRP A 11 -4.126 1.596 -11.979 1.00 50.03 C ATOM 160 CD2 TRP A 11 -5.741 2.960 -11.248 1.00 49.98 C ATOM 161 NE1 TRP A 11 -5.241 0.833 -11.736 1.00 49.39 N ATOM 162 CE2 TRP A 11 -6.246 1.649 -11.284 1.00 50.13 C ATOM 163 CE3 TRP A 11 -6.579 3.996 -10.816 1.00 49.88 C ATOM 164 CZ2 TRP A 11 -7.547 1.343 -10.911 1.00 49.88 C ATOM 165 CZ3 TRP A 11 -7.882 3.689 -10.441 1.00 49.88 C ATOM 166 CH2 TRP A 11 -8.352 2.400 -10.486 1.00 49.88 C ATOM 0 H TRP A 11 -2.150 2.705 -9.388 1.00 49.53 H new ATOM 0 HA TRP A 11 -2.058 5.258 -10.693 1.00 50.07 H new ATOM 0 HB2 TRP A 11 -3.978 4.935 -12.152 1.00 49.82 H new ATOM 0 HB3 TRP A 11 -2.703 3.823 -12.609 1.00 49.82 H new ATOM 0 HD1 TRP A 11 -3.183 1.215 -12.343 1.00 50.03 H new ATOM 0 HE1 TRP A 11 -5.311 -0.176 -11.870 1.00 49.39 H new ATOM 0 HE3 TRP A 11 -6.220 5.014 -10.775 1.00 49.88 H new ATOM 0 HZ2 TRP A 11 -7.920 0.330 -10.948 1.00 49.88 H new ATOM 0 HZ3 TRP A 11 -8.537 4.480 -10.108 1.00 49.88 H new ATOM 0 HH2 TRP A 11 -9.370 2.199 -10.185 1.00 49.88 H new ATOM 177 N PHE A 12 -4.084 5.954 -9.344 1.00 49.53 N ATOM 178 CA PHE A 12 -5.109 6.367 -8.394 1.00 50.07 C ATOM 179 C PHE A 12 -5.994 7.461 -8.976 1.00 50.51 C ATOM 180 O PHE A 12 -5.541 8.582 -9.206 1.00 49.49 O ATOM 181 CB PHE A 12 -4.466 6.849 -7.091 1.00 49.82 C ATOM 182 CG PHE A 12 -5.430 6.960 -5.944 1.00 50.00 C ATOM 183 CD1 PHE A 12 -6.343 8.002 -5.883 1.00 49.88 C ATOM 184 CD2 PHE A 12 -5.426 6.021 -4.923 1.00 49.88 C ATOM 185 CE1 PHE A 12 -7.228 8.106 -4.829 1.00 49.88 C ATOM 186 CE2 PHE A 12 -6.312 6.121 -3.867 1.00 49.88 C ATOM 187 CZ PHE A 12 -7.214 7.163 -3.820 1.00 49.88 C ATOM 0 H PHE A 12 -3.723 6.708 -9.928 1.00 49.53 H new ATOM 0 HA PHE A 12 -5.736 5.500 -8.183 1.00 50.07 H new ATOM 0 HB2 PHE A 12 -3.666 6.162 -6.816 1.00 49.82 H new ATOM 0 HB3 PHE A 12 -4.006 7.822 -7.262 1.00 49.82 H new ATOM 0 HD1 PHE A 12 -6.362 8.741 -6.670 1.00 49.88 H new ATOM 0 HD2 PHE A 12 -4.722 5.202 -4.954 1.00 49.88 H new ATOM 0 HE1 PHE A 12 -7.931 8.925 -4.793 1.00 49.88 H new ATOM 0 HE2 PHE A 12 -6.298 5.383 -3.079 1.00 49.88 H new ATOM 0 HZ PHE A 12 -7.908 7.242 -2.996 1.00 49.88 H new ATOM 197 N ASN A 13 -7.259 7.128 -9.215 1.00 49.53 N ATOM 198 CA ASN A 13 -8.224 8.098 -9.719 1.00 50.07 C ATOM 199 C ASN A 13 -8.917 8.828 -8.576 1.00 50.51 C ATOM 200 O ASN A 13 -9.911 8.348 -8.031 1.00 49.49 O ATOM 201 CB ASN A 13 -9.251 7.440 -10.622 1.00 49.82 C ATOM 202 CG ASN A 13 -8.700 7.010 -11.952 1.00 50.55 C ATOM 203 OD1 ASN A 13 -7.692 7.542 -12.431 1.00 49.45 O ATOM 204 ND2 ASN A 13 -9.402 6.108 -12.589 1.00 49.38 N ATOM 0 H ASN A 13 -7.639 6.193 -9.067 1.00 49.53 H new ATOM 0 HA ASN A 13 -7.670 8.828 -10.309 1.00 50.07 H new ATOM 0 HB2 ASN A 13 -9.665 6.570 -10.112 1.00 49.82 H new ATOM 0 HB3 ASN A 13 -10.074 8.135 -10.787 1.00 49.82 H new ATOM 0 HD21 ASN A 13 -9.125 5.814 -13.525 1.00 49.38 H new ATOM 0 HD22 ASN A 13 -10.226 5.699 -12.149 1.00 49.38 H new ATOM 211 N ALA A 14 -8.388 9.994 -8.217 1.00 49.53 N ATOM 212 CA ALA A 14 -8.939 10.779 -7.120 1.00 50.07 C ATOM 213 C ALA A 14 -10.378 11.188 -7.402 1.00 50.51 C ATOM 214 O ALA A 14 -11.143 11.482 -6.484 1.00 49.49 O ATOM 215 CB ALA A 14 -8.077 12.006 -6.863 1.00 49.73 C ATOM 0 H ALA A 14 -7.578 10.415 -8.671 1.00 49.53 H new ATOM 0 HA ALA A 14 -8.938 10.155 -6.226 1.00 50.07 H new ATOM 0 HB1 ALA A 14 -8.501 12.583 -6.041 1.00 49.73 H new ATOM 0 HB2 ALA A 14 -7.066 11.692 -6.603 1.00 49.73 H new ATOM 0 HB3 ALA A 14 -8.046 12.623 -7.761 1.00 49.73 H new ATOM 221 N ASP A 15 -10.743 11.206 -8.680 1.00 49.53 N ATOM 222 CA ASP A 15 -12.106 11.529 -9.085 1.00 50.07 C ATOM 223 C ASP A 15 -13.100 10.517 -8.527 1.00 50.51 C ATOM 224 O ASP A 15 -14.263 10.840 -8.289 1.00 49.49 O ATOM 225 CB ASP A 15 -12.214 11.585 -10.611 1.00 49.72 C ATOM 226 CG ASP A 15 -11.566 12.809 -11.241 1.00 50.62 C ATOM 227 OD1 ASP A 15 -11.244 13.725 -10.521 1.00 49.24 O ATOM 228 OD2 ASP A 15 -11.257 12.758 -12.408 1.00 49.24 O ATOM 0 H ASP A 15 -10.112 11.000 -9.454 1.00 49.53 H new ATOM 0 HA ASP A 15 -12.351 12.510 -8.677 1.00 50.07 H new ATOM 0 HB2 ASP A 15 -11.754 10.689 -11.029 1.00 49.72 H new ATOM 0 HB3 ASP A 15 -13.267 11.562 -10.890 1.00 49.72 H new ATOM 233 N LYS A 16 -12.634 9.290 -8.320 1.00 49.53 N ATOM 234 CA LYS A 16 -13.476 8.232 -7.775 1.00 50.07 C ATOM 235 C LYS A 16 -13.092 7.908 -6.336 1.00 50.51 C ATOM 236 O LYS A 16 -13.925 7.463 -5.547 1.00 49.49 O ATOM 237 CB LYS A 16 -13.384 6.974 -8.640 1.00 49.82 C ATOM 238 CG LYS A 16 -13.756 7.186 -10.102 1.00 49.82 C ATOM 239 CD LYS A 16 -15.216 7.584 -10.248 1.00 49.82 C ATOM 240 CE LYS A 16 -15.615 7.705 -11.712 1.00 50.21 C ATOM 241 NZ LYS A 16 -17.031 8.133 -11.871 1.00 49.70 N ATOM 0 H LYS A 16 -11.676 9.004 -8.522 1.00 49.53 H new ATOM 0 HA LYS A 16 -14.506 8.590 -7.780 1.00 50.07 H new ATOM 0 HB2 LYS A 16 -12.366 6.587 -8.589 1.00 49.82 H new ATOM 0 HB3 LYS A 16 -14.037 6.210 -8.219 1.00 49.82 H new ATOM 0 HG2 LYS A 16 -13.121 7.960 -10.533 1.00 49.82 H new ATOM 0 HG3 LYS A 16 -13.568 6.271 -10.664 1.00 49.82 H new ATOM 0 HD2 LYS A 16 -15.847 6.843 -9.757 1.00 49.82 H new ATOM 0 HD3 LYS A 16 -15.388 8.534 -9.743 1.00 49.82 H new ATOM 0 HE2 LYS A 16 -14.962 8.423 -12.208 1.00 50.21 H new ATOM 0 HE3 LYS A 16 -15.469 6.746 -12.208 1.00 50.21 H new ATOM 0 HZ1 LYS A 16 -17.261 8.203 -12.883 1.00 49.70 H new ATOM 0 HZ2 LYS A 16 -17.657 7.435 -11.421 1.00 49.70 H new ATOM 0 HZ3 LYS A 16 -17.166 9.061 -11.421 1.00 49.70 H new ATOM 255 N GLY A 17 -11.826 8.133 -6.003 1.00 49.53 N ATOM 256 CA GLY A 17 -11.327 7.858 -4.661 1.00 49.98 C ATOM 257 C GLY A 17 -10.790 6.435 -4.554 1.00 50.51 C ATOM 258 O GLY A 17 -10.785 5.844 -3.475 1.00 49.49 O ATOM 0 H GLY A 17 -11.126 8.505 -6.645 1.00 49.53 H new ATOM 0 HA2 GLY A 17 -10.538 8.567 -4.411 1.00 49.98 H new ATOM 0 HA3 GLY A 17 -12.127 8.003 -3.936 1.00 49.98 H new ATOM 262 N PHE A 18 -10.339 5.892 -5.680 1.00 49.53 N ATOM 263 CA PHE A 18 -9.814 4.533 -5.718 1.00 50.07 C ATOM 264 C PHE A 18 -8.533 4.461 -6.538 1.00 50.51 C ATOM 265 O PHE A 18 -8.303 5.286 -7.423 1.00 49.49 O ATOM 266 CB PHE A 18 -10.859 3.572 -6.288 1.00 49.82 C ATOM 267 CG PHE A 18 -12.147 3.547 -5.514 1.00 50.00 C ATOM 268 CD1 PHE A 18 -12.246 2.838 -4.328 1.00 49.88 C ATOM 269 CD2 PHE A 18 -13.261 4.235 -5.971 1.00 49.88 C ATOM 270 CE1 PHE A 18 -13.430 2.813 -3.614 1.00 49.88 C ATOM 271 CE2 PHE A 18 -14.445 4.215 -5.260 1.00 49.88 C ATOM 272 CZ PHE A 18 -14.530 3.504 -4.082 1.00 49.88 C ATOM 0 H PHE A 18 -10.327 6.373 -6.579 1.00 49.53 H new ATOM 0 HA PHE A 18 -9.581 4.236 -4.696 1.00 50.07 H new ATOM 0 HB2 PHE A 18 -11.072 3.852 -7.320 1.00 49.82 H new ATOM 0 HB3 PHE A 18 -10.440 2.566 -6.310 1.00 49.82 H new ATOM 0 HD1 PHE A 18 -11.388 2.298 -3.956 1.00 49.88 H new ATOM 0 HD2 PHE A 18 -13.202 4.793 -6.894 1.00 49.88 H new ATOM 0 HE1 PHE A 18 -13.494 2.254 -2.692 1.00 49.88 H new ATOM 0 HE2 PHE A 18 -15.304 4.756 -5.627 1.00 49.88 H new ATOM 0 HZ PHE A 18 -15.456 3.487 -3.526 1.00 49.88 H new ATOM 282 N GLY A 19 -7.701 3.468 -6.241 1.00 49.53 N ATOM 283 CA GLY A 19 -6.485 3.232 -7.009 1.00 49.98 C ATOM 284 C GLY A 19 -5.869 1.882 -6.663 1.00 50.51 C ATOM 285 O GLY A 19 -6.242 1.254 -5.672 1.00 49.49 O ATOM 0 H GLY A 19 -7.848 2.813 -5.473 1.00 49.53 H new ATOM 0 HA2 GLY A 19 -6.712 3.269 -8.075 1.00 49.98 H new ATOM 0 HA3 GLY A 19 -5.765 4.025 -6.808 1.00 49.98 H new ATOM 289 N PHE A 20 -4.922 1.442 -7.485 1.00 49.53 N ATOM 290 CA PHE A 20 -4.280 0.147 -7.290 1.00 50.07 C ATOM 291 C PHE A 20 -2.789 0.309 -7.021 1.00 50.51 C ATOM 292 O PHE A 20 -2.133 1.175 -7.601 1.00 49.49 O ATOM 293 CB PHE A 20 -4.501 -0.749 -8.509 1.00 49.82 C ATOM 294 CG PHE A 20 -5.905 -1.269 -8.631 1.00 50.00 C ATOM 295 CD1 PHE A 20 -6.778 -1.208 -7.556 1.00 49.88 C ATOM 296 CD2 PHE A 20 -6.356 -1.821 -9.821 1.00 49.88 C ATOM 297 CE1 PHE A 20 -8.071 -1.684 -7.667 1.00 49.88 C ATOM 298 CE2 PHE A 20 -7.646 -2.298 -9.936 1.00 49.88 C ATOM 299 CZ PHE A 20 -8.505 -2.230 -8.856 1.00 49.88 C ATOM 0 H PHE A 20 -4.582 1.963 -8.293 1.00 49.53 H new ATOM 0 HA PHE A 20 -4.735 -0.324 -6.419 1.00 50.07 H new ATOM 0 HB2 PHE A 20 -4.251 -0.189 -9.410 1.00 49.82 H new ATOM 0 HB3 PHE A 20 -3.814 -1.593 -8.457 1.00 49.82 H new ATOM 0 HD1 PHE A 20 -6.444 -0.784 -6.621 1.00 49.88 H new ATOM 0 HD2 PHE A 20 -5.689 -1.878 -10.669 1.00 49.88 H new ATOM 0 HE1 PHE A 20 -8.741 -1.628 -6.822 1.00 49.88 H new ATOM 0 HE2 PHE A 20 -7.984 -2.724 -10.869 1.00 49.88 H new ATOM 0 HZ PHE A 20 -9.514 -2.604 -8.943 1.00 49.88 H new ATOM 309 N ILE A 21 -2.257 -0.532 -6.141 1.00 49.53 N ATOM 310 CA ILE A 21 -0.823 -0.563 -5.880 1.00 50.07 C ATOM 311 C ILE A 21 -0.224 -1.913 -6.254 1.00 50.51 C ATOM 312 O ILE A 21 -0.791 -2.962 -5.944 1.00 49.49 O ATOM 313 CB ILE A 21 -0.509 -0.265 -4.403 1.00 49.91 C ATOM 314 CG1 ILE A 21 -0.922 1.166 -4.048 1.00 49.82 C ATOM 315 CG2 ILE A 21 0.969 -0.483 -4.118 1.00 49.73 C ATOM 316 CD1 ILE A 21 -0.755 1.503 -2.584 1.00 49.73 C ATOM 0 H ILE A 21 -2.799 -1.202 -5.596 1.00 49.53 H new ATOM 0 HA ILE A 21 -0.376 0.214 -6.500 1.00 50.07 H new ATOM 0 HB ILE A 21 -1.082 -0.953 -3.781 1.00 49.91 H new ATOM 0 HG12 ILE A 21 -0.330 1.863 -4.642 1.00 49.82 H new ATOM 0 HG13 ILE A 21 -1.965 1.314 -4.329 1.00 49.82 H new ATOM 0 HG21 ILE A 21 1.173 -0.268 -3.069 1.00 49.73 H new ATOM 0 HG22 ILE A 21 1.232 -1.519 -4.334 1.00 49.73 H new ATOM 0 HG23 ILE A 21 1.563 0.181 -4.747 1.00 49.73 H new ATOM 0 HD11 ILE A 21 -1.068 2.533 -2.410 1.00 49.73 H new ATOM 0 HD12 ILE A 21 -1.368 0.831 -1.984 1.00 49.73 H new ATOM 0 HD13 ILE A 21 0.292 1.389 -2.301 1.00 49.73 H new ATOM 328 N THR A 22 0.924 -1.882 -6.923 1.00 49.53 N ATOM 329 CA THR A 22 1.643 -3.102 -7.268 1.00 50.07 C ATOM 330 C THR A 22 2.649 -3.473 -6.187 1.00 50.51 C ATOM 331 O THR A 22 3.640 -2.772 -5.983 1.00 49.49 O ATOM 332 CB THR A 22 2.377 -2.963 -8.614 1.00 50.14 C ATOM 333 OG1 THR A 22 1.428 -2.700 -9.656 1.00 49.34 O ATOM 334 CG2 THR A 22 3.141 -4.237 -8.941 1.00 49.73 C ATOM 0 H THR A 22 1.376 -1.024 -7.237 1.00 49.53 H new ATOM 0 HA THR A 22 0.898 -3.893 -7.352 1.00 50.07 H new ATOM 0 HB THR A 22 3.084 -2.136 -8.539 1.00 50.14 H new ATOM 0 HG1 THR A 22 0.698 -3.352 -9.605 1.00 49.34 H new ATOM 0 HG21 THR A 22 3.653 -4.119 -9.896 1.00 49.73 H new ATOM 0 HG22 THR A 22 3.874 -4.433 -8.158 1.00 49.73 H new ATOM 0 HG23 THR A 22 2.444 -5.073 -9.004 1.00 49.73 H new ATOM 342 N PRO A 23 2.391 -4.579 -5.499 1.00 49.71 N ATOM 343 CA PRO A 23 3.234 -5.007 -4.390 1.00 50.02 C ATOM 344 C PRO A 23 4.690 -5.135 -4.822 1.00 50.51 C ATOM 345 O PRO A 23 4.978 -5.448 -5.977 1.00 49.49 O ATOM 346 CB PRO A 23 2.638 -6.358 -3.962 1.00 49.82 C ATOM 347 CG PRO A 23 1.202 -6.305 -4.405 1.00 49.82 C ATOM 348 CD PRO A 23 1.377 -5.585 -5.844 1.00 50.00 C ATOM 0 HA PRO A 23 3.246 -4.290 -3.569 1.00 50.02 H new ATOM 0 HB2 PRO A 23 3.166 -7.189 -4.431 1.00 49.82 H new ATOM 0 HB3 PRO A 23 2.714 -6.500 -2.884 1.00 49.82 H new ATOM 0 HG2 PRO A 23 0.754 -7.296 -4.487 1.00 49.82 H new ATOM 0 HG3 PRO A 23 0.577 -5.728 -3.724 1.00 49.82 H new ATOM 0 HD2 PRO A 23 1.718 -6.274 -6.617 1.00 50.00 H new ATOM 0 HD3 PRO A 23 0.450 -5.138 -6.203 1.00 50.00 H new ATOM 356 N ASP A 24 5.603 -4.890 -3.888 1.00 49.53 N ATOM 357 CA ASP A 24 7.030 -4.978 -4.172 1.00 50.07 C ATOM 358 C ASP A 24 7.415 -6.379 -4.630 1.00 50.51 C ATOM 359 O ASP A 24 8.386 -6.556 -5.367 1.00 49.49 O ATOM 360 CB ASP A 24 7.848 -4.586 -2.939 1.00 49.72 C ATOM 361 CG ASP A 24 9.332 -4.378 -3.207 1.00 50.62 C ATOM 362 OD1 ASP A 24 9.658 -3.533 -4.007 1.00 49.24 O ATOM 363 OD2 ASP A 24 10.127 -4.952 -2.503 1.00 49.24 O ATOM 0 H ASP A 24 5.380 -4.629 -2.928 1.00 49.53 H new ATOM 0 HA ASP A 24 7.252 -4.281 -4.980 1.00 50.07 H new ATOM 0 HB2 ASP A 24 7.435 -3.668 -2.521 1.00 49.72 H new ATOM 0 HB3 ASP A 24 7.734 -5.361 -2.181 1.00 49.72 H new ATOM 368 N ASP A 25 6.650 -7.372 -4.190 1.00 49.53 N ATOM 369 CA ASP A 25 6.909 -8.759 -4.559 1.00 50.07 C ATOM 370 C ASP A 25 6.489 -9.035 -5.995 1.00 50.51 C ATOM 371 O ASP A 25 6.877 -10.046 -6.582 1.00 49.49 O ATOM 372 CB ASP A 25 6.179 -9.709 -3.605 1.00 49.72 C ATOM 373 CG ASP A 25 6.774 -9.777 -2.204 1.00 50.62 C ATOM 374 OD1 ASP A 25 7.870 -9.299 -2.023 1.00 49.24 O ATOM 375 OD2 ASP A 25 6.072 -10.159 -1.300 1.00 49.24 O ATOM 0 H ASP A 25 5.845 -7.242 -3.577 1.00 49.53 H new ATOM 0 HA ASP A 25 7.982 -8.931 -4.481 1.00 50.07 H new ATOM 0 HB2 ASP A 25 5.137 -9.398 -3.529 1.00 49.72 H new ATOM 0 HB3 ASP A 25 6.182 -10.710 -4.036 1.00 49.72 H new ATOM 380 N GLY A 26 5.694 -8.132 -6.558 1.00 49.53 N ATOM 381 CA GLY A 26 5.216 -8.278 -7.928 1.00 49.98 C ATOM 382 C GLY A 26 3.955 -9.132 -7.981 1.00 50.51 C ATOM 383 O GLY A 26 3.554 -9.599 -9.049 1.00 49.49 O ATOM 0 H GLY A 26 5.366 -7.289 -6.086 1.00 49.53 H new ATOM 0 HA2 GLY A 26 5.011 -7.295 -8.352 1.00 49.98 H new ATOM 0 HA3 GLY A 26 5.994 -8.734 -8.541 1.00 49.98 H new ATOM 387 N SER A 27 3.333 -9.333 -6.826 1.00 49.53 N ATOM 388 CA SER A 27 2.119 -10.137 -6.738 1.00 50.07 C ATOM 389 C SER A 27 0.906 -9.358 -7.229 1.00 50.51 C ATOM 390 O SER A 27 1.021 -8.200 -7.630 1.00 49.49 O ATOM 391 CB SER A 27 1.904 -10.604 -5.311 1.00 50.05 C ATOM 392 OG SER A 27 1.577 -9.544 -4.453 1.00 49.34 O ATOM 0 H SER A 27 3.649 -8.950 -5.935 1.00 49.53 H new ATOM 0 HA SER A 27 2.241 -11.008 -7.382 1.00 50.07 H new ATOM 0 HB2 SER A 27 1.106 -11.347 -5.289 1.00 50.05 H new ATOM 0 HB3 SER A 27 2.808 -11.096 -4.951 1.00 50.05 H new ATOM 0 HG SER A 27 1.445 -9.887 -3.545 1.00 49.34 H new ATOM 398 N LYS A 28 -0.256 -10.001 -7.197 1.00 49.53 N ATOM 399 CA LYS A 28 -1.495 -9.365 -7.631 1.00 50.07 C ATOM 400 C LYS A 28 -1.674 -8.001 -6.977 1.00 50.51 C ATOM 401 O LYS A 28 -1.507 -7.856 -5.766 1.00 49.49 O ATOM 402 CB LYS A 28 -2.695 -10.261 -7.316 1.00 49.82 C ATOM 403 CG LYS A 28 -4.033 -9.710 -7.791 1.00 49.82 C ATOM 404 CD LYS A 28 -5.168 -10.678 -7.493 1.00 49.82 C ATOM 405 CE LYS A 28 -6.512 -10.106 -7.918 1.00 50.21 C ATOM 406 NZ LYS A 28 -7.630 -11.049 -7.647 1.00 49.70 N ATOM 0 H LYS A 28 -0.366 -10.963 -6.875 1.00 49.53 H new ATOM 0 HA LYS A 28 -1.435 -9.219 -8.710 1.00 50.07 H new ATOM 0 HB2 LYS A 28 -2.534 -11.237 -7.774 1.00 49.82 H new ATOM 0 HB3 LYS A 28 -2.743 -10.419 -6.238 1.00 49.82 H new ATOM 0 HG2 LYS A 28 -4.229 -8.755 -7.303 1.00 49.82 H new ATOM 0 HG3 LYS A 28 -3.989 -9.517 -8.863 1.00 49.82 H new ATOM 0 HD2 LYS A 28 -4.991 -11.620 -8.013 1.00 49.82 H new ATOM 0 HD3 LYS A 28 -5.187 -10.901 -6.426 1.00 49.82 H new ATOM 0 HE2 LYS A 28 -6.691 -9.170 -7.389 1.00 50.21 H new ATOM 0 HE3 LYS A 28 -6.486 -9.871 -8.982 1.00 50.21 H new ATOM 0 HZ1 LYS A 28 -8.527 -10.620 -7.951 1.00 49.70 H new ATOM 0 HZ2 LYS A 28 -7.473 -11.933 -8.172 1.00 49.70 H new ATOM 0 HZ3 LYS A 28 -7.672 -11.254 -6.628 1.00 49.70 H new ATOM 420 N ASP A 29 -2.013 -7.004 -7.786 1.00 49.53 N ATOM 421 CA ASP A 29 -2.206 -5.647 -7.288 1.00 50.07 C ATOM 422 C ASP A 29 -3.199 -5.619 -6.134 1.00 50.51 C ATOM 423 O ASP A 29 -4.086 -6.469 -6.045 1.00 49.49 O ATOM 424 CB ASP A 29 -2.684 -4.726 -8.414 1.00 49.72 C ATOM 425 CG ASP A 29 -1.630 -4.421 -9.468 1.00 50.62 C ATOM 426 OD1 ASP A 29 -0.488 -4.753 -9.252 1.00 49.24 O ATOM 427 OD2 ASP A 29 -1.993 -4.002 -10.542 1.00 49.24 O ATOM 0 H ASP A 29 -2.160 -7.110 -8.790 1.00 49.53 H new ATOM 0 HA ASP A 29 -1.245 -5.288 -6.920 1.00 50.07 H new ATOM 0 HB2 ASP A 29 -3.545 -5.184 -8.901 1.00 49.72 H new ATOM 0 HB3 ASP A 29 -3.027 -3.787 -7.978 1.00 49.72 H new ATOM 432 N VAL A 30 -3.043 -4.639 -5.249 1.00 49.53 N ATOM 433 CA VAL A 30 -3.926 -4.500 -4.098 1.00 50.07 C ATOM 434 C VAL A 30 -4.834 -3.286 -4.243 1.00 50.51 C ATOM 435 O VAL A 30 -4.422 -2.250 -4.767 1.00 49.49 O ATOM 436 CB VAL A 30 -3.128 -4.378 -2.786 1.00 49.91 C ATOM 437 CG1 VAL A 30 -2.335 -5.650 -2.524 1.00 49.73 C ATOM 438 CG2 VAL A 30 -2.200 -3.175 -2.837 1.00 49.73 C ATOM 0 H VAL A 30 -2.313 -3.929 -5.308 1.00 49.53 H new ATOM 0 HA VAL A 30 -4.536 -5.403 -4.059 1.00 50.07 H new ATOM 0 HB VAL A 30 -3.833 -4.236 -1.967 1.00 49.91 H new ATOM 0 HG11 VAL A 30 -1.777 -5.546 -1.593 1.00 49.73 H new ATOM 0 HG12 VAL A 30 -3.019 -6.495 -2.445 1.00 49.73 H new ATOM 0 HG13 VAL A 30 -1.640 -5.821 -3.346 1.00 49.73 H new ATOM 0 HG21 VAL A 30 -1.644 -3.104 -1.902 1.00 49.73 H new ATOM 0 HG22 VAL A 30 -1.502 -3.289 -3.666 1.00 49.73 H new ATOM 0 HG23 VAL A 30 -2.788 -2.268 -2.979 1.00 49.73 H new ATOM 448 N PHE A 31 -6.071 -3.419 -3.775 1.00 49.53 N ATOM 449 CA PHE A 31 -7.053 -2.346 -3.893 1.00 50.07 C ATOM 450 C PHE A 31 -6.845 -1.290 -2.817 1.00 50.51 C ATOM 451 O PHE A 31 -6.674 -1.613 -1.640 1.00 49.49 O ATOM 452 CB PHE A 31 -8.472 -2.912 -3.808 1.00 49.82 C ATOM 453 CG PHE A 31 -8.833 -3.816 -4.952 1.00 50.00 C ATOM 454 CD1 PHE A 31 -7.845 -4.418 -5.717 1.00 49.88 C ATOM 455 CD2 PHE A 31 -10.161 -4.065 -5.267 1.00 49.88 C ATOM 456 CE1 PHE A 31 -8.177 -5.250 -6.770 1.00 49.88 C ATOM 457 CE2 PHE A 31 -10.494 -4.898 -6.317 1.00 49.88 C ATOM 458 CZ PHE A 31 -9.501 -5.490 -7.071 1.00 49.88 C ATOM 0 H PHE A 31 -6.417 -4.259 -3.311 1.00 49.53 H new ATOM 0 HA PHE A 31 -6.917 -1.872 -4.865 1.00 50.07 H new ATOM 0 HB2 PHE A 31 -8.578 -3.463 -2.874 1.00 49.82 H new ATOM 0 HB3 PHE A 31 -9.182 -2.085 -3.772 1.00 49.82 H new ATOM 0 HD1 PHE A 31 -6.806 -4.235 -5.488 1.00 49.88 H new ATOM 0 HD2 PHE A 31 -10.944 -3.602 -4.684 1.00 49.88 H new ATOM 0 HE1 PHE A 31 -7.398 -5.713 -7.358 1.00 49.88 H new ATOM 0 HE2 PHE A 31 -11.532 -5.086 -6.548 1.00 49.88 H new ATOM 0 HZ PHE A 31 -9.760 -6.139 -7.894 1.00 49.88 H new ATOM 468 N VAL A 32 -6.861 -0.025 -3.224 1.00 49.53 N ATOM 469 CA VAL A 32 -6.685 1.083 -2.294 1.00 50.07 C ATOM 470 C VAL A 32 -7.854 2.056 -2.369 1.00 50.51 C ATOM 471 O VAL A 32 -8.241 2.494 -3.453 1.00 49.49 O ATOM 472 CB VAL A 32 -5.376 1.846 -2.565 1.00 49.91 C ATOM 473 CG1 VAL A 32 -5.232 3.015 -1.602 1.00 49.73 C ATOM 474 CG2 VAL A 32 -4.180 0.913 -2.450 1.00 49.73 C ATOM 0 H VAL A 32 -6.995 0.258 -4.195 1.00 49.53 H new ATOM 0 HA VAL A 32 -6.641 0.650 -1.295 1.00 50.07 H new ATOM 0 HB VAL A 32 -5.411 2.238 -3.582 1.00 49.91 H new ATOM 0 HG11 VAL A 32 -4.301 3.543 -1.808 1.00 49.73 H new ATOM 0 HG12 VAL A 32 -6.072 3.697 -1.730 1.00 49.73 H new ATOM 0 HG13 VAL A 32 -5.219 2.643 -0.578 1.00 49.73 H new ATOM 0 HG21 VAL A 32 -3.264 1.470 -2.645 1.00 49.73 H new ATOM 0 HG22 VAL A 32 -4.142 0.492 -1.445 1.00 49.73 H new ATOM 0 HG23 VAL A 32 -4.276 0.107 -3.177 1.00 49.73 H new ATOM 484 N HIS A 33 -8.413 2.392 -1.213 1.00 49.53 N ATOM 485 CA HIS A 33 -9.474 3.391 -1.135 1.00 50.07 C ATOM 486 C HIS A 33 -8.927 4.741 -0.689 1.00 50.51 C ATOM 487 O HIS A 33 -7.857 4.820 -0.087 1.00 49.49 O ATOM 488 CB HIS A 33 -10.581 2.933 -0.178 1.00 49.92 C ATOM 489 CG HIS A 33 -11.321 1.721 -0.654 1.00 50.22 C ATOM 490 ND1 HIS A 33 -12.547 1.353 -0.141 1.00 49.30 N ATOM 491 CD2 HIS A 33 -11.011 0.797 -1.591 1.00 49.95 C ATOM 492 CE1 HIS A 33 -12.960 0.251 -0.744 1.00 50.25 C ATOM 493 NE2 HIS A 33 -12.045 -0.106 -1.629 1.00 49.64 N ATOM 0 H HIS A 33 -8.149 1.987 -0.315 1.00 49.53 H new ATOM 0 HA HIS A 33 -9.895 3.503 -2.134 1.00 50.07 H new ATOM 0 HB2 HIS A 33 -10.142 2.721 0.797 1.00 49.92 H new ATOM 0 HB3 HIS A 33 -11.290 3.749 -0.038 1.00 49.92 H new ATOM 0 HD2 HIS A 33 -10.117 0.773 -2.197 1.00 49.95 H new ATOM 0 HE1 HIS A 33 -13.886 -0.268 -0.547 1.00 50.25 H new ATOM 0 HE2 HIS A 33 -12.098 -0.920 -2.241 1.00 49.64 H new ATOM 501 N PHE A 34 -9.669 5.802 -0.988 1.00 49.53 N ATOM 502 CA PHE A 34 -9.305 7.141 -0.542 1.00 50.07 C ATOM 503 C PHE A 34 -9.249 7.220 0.978 1.00 50.51 C ATOM 504 O PHE A 34 -8.563 8.073 1.540 1.00 49.49 O ATOM 505 CB PHE A 34 -10.296 8.172 -1.087 1.00 49.82 C ATOM 506 CG PHE A 34 -11.658 8.095 -0.458 1.00 50.00 C ATOM 507 CD1 PHE A 34 -11.953 8.827 0.682 1.00 49.88 C ATOM 508 CD2 PHE A 34 -12.645 7.292 -1.005 1.00 49.88 C ATOM 509 CE1 PHE A 34 -13.207 8.756 1.262 1.00 49.88 C ATOM 510 CE2 PHE A 34 -13.900 7.219 -0.431 1.00 49.88 C ATOM 511 CZ PHE A 34 -14.180 7.954 0.706 1.00 49.88 C ATOM 0 H PHE A 34 -10.527 5.760 -1.538 1.00 49.53 H new ATOM 0 HA PHE A 34 -8.311 7.364 -0.930 1.00 50.07 H new ATOM 0 HB2 PHE A 34 -9.890 9.171 -0.930 1.00 49.82 H new ATOM 0 HB3 PHE A 34 -10.395 8.033 -2.164 1.00 49.82 H new ATOM 0 HD1 PHE A 34 -11.196 9.459 1.122 1.00 49.88 H new ATOM 0 HD2 PHE A 34 -12.431 6.715 -1.892 1.00 49.88 H new ATOM 0 HE1 PHE A 34 -13.424 9.330 2.151 1.00 49.88 H new ATOM 0 HE2 PHE A 34 -14.660 6.589 -0.869 1.00 49.88 H new ATOM 0 HZ PHE A 34 -15.160 7.900 1.158 1.00 49.88 H new ATOM 521 N SER A 35 -9.976 6.324 1.638 1.00 49.53 N ATOM 522 CA SER A 35 -10.001 6.282 3.096 1.00 50.07 C ATOM 523 C SER A 35 -8.758 5.596 3.648 1.00 50.51 C ATOM 524 O SER A 35 -8.471 5.678 4.842 1.00 49.49 O ATOM 525 CB SER A 35 -11.253 5.576 3.576 1.00 50.05 C ATOM 526 OG SER A 35 -11.254 4.216 3.238 1.00 49.34 O ATOM 0 H SER A 35 -10.556 5.617 1.186 1.00 49.53 H new ATOM 0 HA SER A 35 -10.009 7.307 3.466 1.00 50.07 H new ATOM 0 HB2 SER A 35 -11.335 5.680 4.658 1.00 50.05 H new ATOM 0 HB3 SER A 35 -12.129 6.058 3.142 1.00 50.05 H new ATOM 0 HG SER A 35 -12.077 3.798 3.567 1.00 49.34 H new ATOM 532 N ALA A 36 -8.024 4.917 2.772 1.00 49.53 N ATOM 533 CA ALA A 36 -6.807 4.220 3.169 1.00 50.07 C ATOM 534 C ALA A 36 -5.598 5.145 3.102 1.00 50.51 C ATOM 535 O ALA A 36 -4.495 4.768 3.498 1.00 49.49 O ATOM 536 CB ALA A 36 -6.589 2.994 2.296 1.00 49.73 C ATOM 0 H ALA A 36 -8.252 4.835 1.781 1.00 49.53 H new ATOM 0 HA ALA A 36 -6.925 3.896 4.203 1.00 50.07 H new ATOM 0 HB1 ALA A 36 -5.676 2.485 2.605 1.00 49.73 H new ATOM 0 HB2 ALA A 36 -7.436 2.317 2.402 1.00 49.73 H new ATOM 0 HB3 ALA A 36 -6.498 3.301 1.254 1.00 49.73 H new ATOM 542 N ILE A 37 -5.812 6.357 2.602 1.00 49.53 N ATOM 543 CA ILE A 37 -4.723 7.307 2.404 1.00 50.07 C ATOM 544 C ILE A 37 -4.385 8.035 3.698 1.00 50.51 C ATOM 545 O ILE A 37 -5.163 8.857 4.181 1.00 49.49 O ATOM 546 CB ILE A 37 -5.070 8.341 1.319 1.00 49.91 C ATOM 547 CG1 ILE A 37 -5.526 7.641 0.036 1.00 49.82 C ATOM 548 CG2 ILE A 37 -3.875 9.241 1.040 1.00 49.73 C ATOM 549 CD1 ILE A 37 -4.529 6.639 -0.500 1.00 49.73 C ATOM 0 H ILE A 37 -6.730 6.705 2.326 1.00 49.53 H new ATOM 0 HA ILE A 37 -3.856 6.731 2.080 1.00 50.07 H new ATOM 0 HB ILE A 37 -5.890 8.960 1.683 1.00 49.91 H new ATOM 0 HG12 ILE A 37 -6.471 7.133 0.227 1.00 49.82 H new ATOM 0 HG13 ILE A 37 -5.718 8.394 -0.729 1.00 49.82 H new ATOM 0 HG21 ILE A 37 -4.138 9.966 0.270 1.00 49.73 H new ATOM 0 HG22 ILE A 37 -3.594 9.766 1.953 1.00 49.73 H new ATOM 0 HG23 ILE A 37 -3.036 8.636 0.697 1.00 49.73 H new ATOM 0 HD11 ILE A 37 -4.923 6.185 -1.409 1.00 49.73 H new ATOM 0 HD12 ILE A 37 -3.590 7.145 -0.724 1.00 49.73 H new ATOM 0 HD13 ILE A 37 -4.355 5.864 0.246 1.00 49.73 H new ATOM 561 N GLN A 38 -3.219 7.728 4.256 1.00 49.53 N ATOM 562 CA GLN A 38 -2.788 8.329 5.512 1.00 50.07 C ATOM 563 C GLN A 38 -1.877 9.525 5.268 1.00 50.51 C ATOM 564 O GLN A 38 -1.417 10.168 6.210 1.00 49.49 O ATOM 565 CB GLN A 38 -2.064 7.296 6.380 1.00 49.82 C ATOM 566 CG GLN A 38 -2.895 6.068 6.711 1.00 49.82 C ATOM 567 CD GLN A 38 -4.168 6.415 7.459 1.00 50.55 C ATOM 568 OE1 GLN A 38 -4.144 7.166 8.437 1.00 49.45 O ATOM 569 NE2 GLN A 38 -5.289 5.863 7.006 1.00 49.38 N ATOM 0 H GLN A 38 -2.554 7.065 3.857 1.00 49.53 H new ATOM 0 HA GLN A 38 -3.679 8.676 6.035 1.00 50.07 H new ATOM 0 HB2 GLN A 38 -1.156 6.979 5.867 1.00 49.82 H new ATOM 0 HB3 GLN A 38 -1.754 7.773 7.310 1.00 49.82 H new ATOM 0 HG2 GLN A 38 -3.150 5.546 5.789 1.00 49.82 H new ATOM 0 HG3 GLN A 38 -2.299 5.381 7.312 1.00 49.82 H new ATOM 0 HE21 GLN A 38 -5.262 5.247 6.193 1.00 49.38 H new ATOM 0 HE22 GLN A 38 -6.176 6.055 7.471 1.00 49.38 H new ATOM 578 N ASN A 39 -1.621 9.817 3.997 1.00 49.53 N ATOM 579 CA ASN A 39 -0.772 10.942 3.626 1.00 50.07 C ATOM 580 C ASN A 39 -1.523 12.262 3.742 1.00 50.51 C ATOM 581 O ASN A 39 -2.754 12.287 3.747 1.00 49.49 O ATOM 582 CB ASN A 39 -0.213 10.777 2.225 1.00 49.82 C ATOM 583 CG ASN A 39 0.745 9.628 2.086 1.00 50.55 C ATOM 584 OD1 ASN A 39 1.789 9.580 2.747 1.00 49.45 O ATOM 585 ND2 ASN A 39 0.438 8.742 1.173 1.00 49.38 N ATOM 0 H ASN A 39 -1.990 9.289 3.206 1.00 49.53 H new ATOM 0 HA ASN A 39 0.063 10.959 4.326 1.00 50.07 H new ATOM 0 HB2 ASN A 39 -1.039 10.635 1.529 1.00 49.82 H new ATOM 0 HB3 ASN A 39 0.294 11.698 1.935 1.00 49.82 H new ATOM 0 HD21 ASN A 39 1.073 7.967 0.980 1.00 49.38 H new ATOM 0 HD22 ASN A 39 -0.436 8.826 0.654 1.00 49.38 H new ATOM 592 N ASP A 40 -0.776 13.356 3.835 1.00 49.53 N ATOM 593 CA ASP A 40 -1.372 14.682 3.959 1.00 50.07 C ATOM 594 C ASP A 40 -1.762 15.240 2.597 1.00 50.51 C ATOM 595 O ASP A 40 -1.648 14.556 1.578 1.00 49.49 O ATOM 596 CB ASP A 40 -0.406 15.639 4.663 1.00 49.72 C ATOM 597 CG ASP A 40 0.857 15.952 3.873 1.00 50.62 C ATOM 598 OD1 ASP A 40 0.887 15.665 2.699 1.00 49.24 O ATOM 599 OD2 ASP A 40 1.717 16.611 4.405 1.00 49.24 O ATOM 0 H ASP A 40 0.244 13.352 3.827 1.00 49.53 H new ATOM 0 HA ASP A 40 -2.277 14.587 4.559 1.00 50.07 H new ATOM 0 HB2 ASP A 40 -0.928 16.572 4.875 1.00 49.72 H new ATOM 0 HB3 ASP A 40 -0.122 15.208 5.623 1.00 49.72 H new ATOM 604 N GLY A 41 -2.223 16.486 2.583 1.00 49.53 N ATOM 605 CA GLY A 41 -2.665 17.125 1.349 1.00 49.98 C ATOM 606 C GLY A 41 -4.014 16.578 0.898 1.00 50.51 C ATOM 607 O GLY A 41 -5.035 16.807 1.546 1.00 49.49 O ATOM 0 H GLY A 41 -2.300 17.074 3.413 1.00 49.53 H new ATOM 0 HA2 GLY A 41 -2.738 18.202 1.500 1.00 49.98 H new ATOM 0 HA3 GLY A 41 -1.924 16.963 0.567 1.00 49.98 H new ATOM 611 N TYR A 42 -4.010 15.854 -0.216 1.00 49.53 N ATOM 612 CA TYR A 42 -5.227 15.245 -0.737 1.00 50.07 C ATOM 613 C TYR A 42 -5.202 13.732 -0.567 1.00 50.51 C ATOM 614 O TYR A 42 -4.135 13.123 -0.496 1.00 49.49 O ATOM 615 CB TYR A 42 -5.415 15.605 -2.213 1.00 49.82 C ATOM 616 CG TYR A 42 -5.626 17.081 -2.463 1.00 50.00 C ATOM 617 CD1 TYR A 42 -6.894 17.641 -2.389 1.00 49.88 C ATOM 618 CD2 TYR A 42 -4.559 17.911 -2.773 1.00 49.88 C ATOM 619 CE1 TYR A 42 -7.093 18.989 -2.617 1.00 49.88 C ATOM 620 CE2 TYR A 42 -4.747 19.261 -3.002 1.00 49.88 C ATOM 621 CZ TYR A 42 -6.016 19.796 -2.922 1.00 50.11 C ATOM 622 OH TYR A 42 -6.210 21.139 -3.150 1.00 49.46 O ATOM 0 H TYR A 42 -3.176 15.675 -0.776 1.00 49.53 H new ATOM 0 HA TYR A 42 -6.068 15.638 -0.166 1.00 50.07 H new ATOM 0 HB2 TYR A 42 -4.540 15.274 -2.772 1.00 49.82 H new ATOM 0 HB3 TYR A 42 -6.270 15.055 -2.605 1.00 49.82 H new ATOM 0 HD1 TYR A 42 -7.739 17.013 -2.149 1.00 49.88 H new ATOM 0 HD2 TYR A 42 -3.564 17.495 -2.837 1.00 49.88 H new ATOM 0 HE1 TYR A 42 -8.086 19.409 -2.557 1.00 49.88 H new ATOM 0 HE2 TYR A 42 -3.905 19.893 -3.242 1.00 49.88 H new ATOM 0 HH TYR A 42 -5.350 21.564 -3.351 1.00 49.46 H new ATOM 632 N LYS A 43 -6.385 13.129 -0.502 1.00 49.53 N ATOM 633 CA LYS A 43 -6.502 11.685 -0.346 1.00 50.07 C ATOM 634 C LYS A 43 -6.295 10.968 -1.675 1.00 50.51 C ATOM 635 O LYS A 43 -7.224 10.374 -2.221 1.00 49.49 O ATOM 636 CB LYS A 43 -7.863 11.317 0.244 1.00 49.82 C ATOM 637 CG LYS A 43 -8.085 11.807 1.669 1.00 49.82 C ATOM 638 CD LYS A 43 -9.431 11.347 2.209 1.00 49.82 C ATOM 639 CE LYS A 43 -9.657 11.845 3.629 1.00 50.21 C ATOM 640 NZ LYS A 43 -10.988 11.438 4.156 1.00 49.70 N ATOM 0 H LYS A 43 -7.277 13.620 -0.555 1.00 49.53 H new ATOM 0 HA LYS A 43 -5.720 11.361 0.341 1.00 50.07 H new ATOM 0 HB2 LYS A 43 -8.645 11.728 -0.394 1.00 49.82 H new ATOM 0 HB3 LYS A 43 -7.973 10.233 0.225 1.00 49.82 H new ATOM 0 HG2 LYS A 43 -7.287 11.436 2.312 1.00 49.82 H new ATOM 0 HG3 LYS A 43 -8.034 12.896 1.694 1.00 49.82 H new ATOM 0 HD2 LYS A 43 -10.229 11.712 1.562 1.00 49.82 H new ATOM 0 HD3 LYS A 43 -9.479 10.258 2.191 1.00 49.82 H new ATOM 0 HE2 LYS A 43 -8.874 11.454 4.279 1.00 50.21 H new ATOM 0 HE3 LYS A 43 -9.575 12.932 3.650 1.00 50.21 H new ATOM 0 HZ1 LYS A 43 -11.102 11.797 5.125 1.00 49.70 H new ATOM 0 HZ2 LYS A 43 -11.736 11.832 3.551 1.00 49.70 H new ATOM 0 HZ3 LYS A 43 -11.057 10.400 4.161 1.00 49.70 H new ATOM 654 N SER A 44 -5.071 11.029 -2.190 1.00 49.53 N ATOM 655 CA SER A 44 -4.748 10.406 -3.468 1.00 50.07 C ATOM 656 C SER A 44 -3.291 9.962 -3.511 1.00 50.51 C ATOM 657 O SER A 44 -2.478 10.386 -2.690 1.00 49.49 O ATOM 658 CB SER A 44 -5.040 11.366 -4.605 1.00 50.05 C ATOM 659 OG SER A 44 -4.194 12.484 -4.581 1.00 49.34 O ATOM 0 H SER A 44 -4.287 11.503 -1.742 1.00 49.53 H new ATOM 0 HA SER A 44 -5.373 9.520 -3.582 1.00 50.07 H new ATOM 0 HB2 SER A 44 -4.926 10.846 -5.556 1.00 50.05 H new ATOM 0 HB3 SER A 44 -6.077 11.695 -4.544 1.00 50.05 H new ATOM 0 HG SER A 44 -4.413 13.076 -5.330 1.00 49.34 H new ATOM 665 N LEU A 45 -2.967 9.104 -4.472 1.00 49.53 N ATOM 666 CA LEU A 45 -1.610 8.590 -4.616 1.00 50.07 C ATOM 667 C LEU A 45 -1.020 8.964 -5.969 1.00 50.51 C ATOM 668 O LEU A 45 -1.745 9.114 -6.953 1.00 49.49 O ATOM 669 CB LEU A 45 -1.598 7.068 -4.431 1.00 49.82 C ATOM 670 CG LEU A 45 -2.071 6.573 -3.058 1.00 49.91 C ATOM 671 CD1 LEU A 45 -2.210 5.057 -3.068 1.00 49.73 C ATOM 672 CD2 LEU A 45 -1.080 7.014 -1.989 1.00 49.73 C ATOM 0 H LEU A 45 -3.627 8.749 -5.164 1.00 49.53 H new ATOM 0 HA LEU A 45 -0.992 9.046 -3.843 1.00 50.07 H new ATOM 0 HB2 LEU A 45 -2.229 6.620 -5.198 1.00 49.82 H new ATOM 0 HB3 LEU A 45 -0.584 6.705 -4.601 1.00 49.82 H new ATOM 0 HG LEU A 45 -3.047 7.004 -2.834 1.00 49.91 H new ATOM 0 HD11 LEU A 45 -2.546 4.716 -2.089 1.00 49.73 H new ATOM 0 HD12 LEU A 45 -2.938 4.763 -3.824 1.00 49.73 H new ATOM 0 HD13 LEU A 45 -1.245 4.605 -3.298 1.00 49.73 H new ATOM 0 HD21 LEU A 45 -1.416 6.662 -1.014 1.00 49.73 H new ATOM 0 HD22 LEU A 45 -0.098 6.594 -2.207 1.00 49.73 H new ATOM 0 HD23 LEU A 45 -1.015 8.102 -1.980 1.00 49.73 H new ATOM 684 N ASP A 46 0.299 9.114 -6.012 1.00 49.53 N ATOM 685 CA ASP A 46 0.991 9.459 -7.248 1.00 50.07 C ATOM 686 C ASP A 46 1.536 8.216 -7.939 1.00 50.51 C ATOM 687 O ASP A 46 2.007 7.286 -7.285 1.00 49.49 O ATOM 688 CB ASP A 46 2.128 10.445 -6.971 1.00 49.72 C ATOM 689 CG ASP A 46 1.666 11.846 -6.590 1.00 50.62 C ATOM 690 OD1 ASP A 46 0.510 12.142 -6.784 1.00 49.24 O ATOM 691 OD2 ASP A 46 2.424 12.551 -5.968 1.00 49.24 O ATOM 0 H ASP A 46 0.911 9.002 -5.204 1.00 49.53 H new ATOM 0 HA ASP A 46 0.267 9.931 -7.913 1.00 50.07 H new ATOM 0 HB2 ASP A 46 2.749 10.049 -6.167 1.00 49.72 H new ATOM 0 HB3 ASP A 46 2.759 10.512 -7.857 1.00 49.72 H new ATOM 696 N GLU A 47 1.467 8.203 -9.266 1.00 49.53 N ATOM 697 CA GLU A 47 1.974 7.085 -10.050 1.00 50.07 C ATOM 698 C GLU A 47 3.483 6.944 -9.898 1.00 50.51 C ATOM 699 O GLU A 47 4.231 7.895 -10.125 1.00 49.49 O ATOM 700 CB GLU A 47 1.608 7.254 -11.527 1.00 49.82 C ATOM 701 CG GLU A 47 2.029 6.092 -12.417 1.00 49.72 C ATOM 702 CD GLU A 47 1.577 6.300 -13.834 1.00 50.62 C ATOM 703 OE1 GLU A 47 0.929 7.286 -14.094 1.00 49.24 O ATOM 704 OE2 GLU A 47 1.973 5.533 -14.681 1.00 49.24 O ATOM 0 H GLU A 47 1.063 8.957 -9.822 1.00 49.53 H new ATOM 0 HA GLU A 47 1.507 6.176 -9.672 1.00 50.07 H new ATOM 0 HB2 GLU A 47 0.529 7.386 -11.609 1.00 49.82 H new ATOM 0 HB3 GLU A 47 2.070 8.168 -11.901 1.00 49.82 H new ATOM 0 HG2 GLU A 47 3.113 5.985 -12.391 1.00 49.72 H new ATOM 0 HG3 GLU A 47 1.608 5.164 -12.031 1.00 49.72 H new ATOM 711 N GLY A 48 3.927 5.751 -9.513 1.00 49.53 N ATOM 712 CA GLY A 48 5.349 5.483 -9.336 1.00 49.98 C ATOM 713 C GLY A 48 5.789 5.768 -7.906 1.00 50.51 C ATOM 714 O GLY A 48 6.962 5.619 -7.567 1.00 49.49 O ATOM 0 H GLY A 48 3.321 4.954 -9.318 1.00 49.53 H new ATOM 0 HA2 GLY A 48 5.559 4.443 -9.584 1.00 49.98 H new ATOM 0 HA3 GLY A 48 5.926 6.098 -10.026 1.00 49.98 H new ATOM 718 N GLN A 49 4.840 6.179 -7.072 1.00 49.53 N ATOM 719 CA GLN A 49 5.130 6.490 -5.676 1.00 50.07 C ATOM 720 C GLN A 49 5.332 5.219 -4.860 1.00 50.51 C ATOM 721 O GLN A 49 4.470 4.342 -4.838 1.00 49.49 O ATOM 722 CB GLN A 49 3.998 7.322 -5.067 1.00 49.82 C ATOM 723 CG GLN A 49 4.244 7.751 -3.630 1.00 49.82 C ATOM 724 CD GLN A 49 3.153 8.662 -3.104 1.00 50.55 C ATOM 725 OE1 GLN A 49 2.194 8.982 -3.813 1.00 49.45 O ATOM 726 NE2 GLN A 49 3.293 9.088 -1.853 1.00 49.38 N ATOM 0 H GLN A 49 3.863 6.305 -7.338 1.00 49.53 H new ATOM 0 HA GLN A 49 6.054 7.068 -5.649 1.00 50.07 H new ATOM 0 HB2 GLN A 49 3.846 8.211 -5.679 1.00 49.82 H new ATOM 0 HB3 GLN A 49 3.075 6.744 -5.109 1.00 49.82 H new ATOM 0 HG2 GLN A 49 4.312 6.867 -2.996 1.00 49.82 H new ATOM 0 HG3 GLN A 49 5.204 8.264 -3.566 1.00 49.82 H new ATOM 0 HE21 GLN A 49 4.102 8.798 -1.303 1.00 49.38 H new ATOM 0 HE22 GLN A 49 2.592 9.705 -1.443 1.00 49.38 H new ATOM 735 N LYS A 50 6.475 5.129 -4.190 1.00 49.53 N ATOM 736 CA LYS A 50 6.750 4.014 -3.292 1.00 50.07 C ATOM 737 C LYS A 50 6.116 4.240 -1.925 1.00 50.51 C ATOM 738 O LYS A 50 6.417 5.220 -1.244 1.00 49.49 O ATOM 739 CB LYS A 50 8.257 3.804 -3.145 1.00 49.82 C ATOM 740 CG LYS A 50 8.957 3.349 -4.418 1.00 49.82 C ATOM 741 CD LYS A 50 10.452 3.172 -4.196 1.00 49.82 C ATOM 742 CE LYS A 50 11.146 2.685 -5.459 1.00 50.21 C ATOM 743 NZ LYS A 50 12.607 2.492 -5.253 1.00 49.70 N ATOM 0 H LYS A 50 7.227 5.816 -4.252 1.00 49.53 H new ATOM 0 HA LYS A 50 6.310 3.117 -3.728 1.00 50.07 H new ATOM 0 HB2 LYS A 50 8.710 4.737 -2.810 1.00 49.82 H new ATOM 0 HB3 LYS A 50 8.434 3.065 -2.364 1.00 49.82 H new ATOM 0 HG2 LYS A 50 8.524 2.408 -4.757 1.00 49.82 H new ATOM 0 HG3 LYS A 50 8.789 4.080 -5.209 1.00 49.82 H new ATOM 0 HD2 LYS A 50 10.889 4.119 -3.881 1.00 49.82 H new ATOM 0 HD3 LYS A 50 10.620 2.459 -3.389 1.00 49.82 H new ATOM 0 HE2 LYS A 50 10.698 1.745 -5.779 1.00 50.21 H new ATOM 0 HE3 LYS A 50 10.985 3.405 -6.262 1.00 50.21 H new ATOM 0 HZ1 LYS A 50 13.041 2.160 -6.138 1.00 49.70 H new ATOM 0 HZ2 LYS A 50 13.040 3.395 -4.972 1.00 49.70 H new ATOM 0 HZ3 LYS A 50 12.762 1.786 -4.505 1.00 49.70 H new ATOM 757 N VAL A 51 5.238 3.325 -1.528 1.00 49.53 N ATOM 758 CA VAL A 51 4.474 3.480 -0.296 1.00 50.07 C ATOM 759 C VAL A 51 4.485 2.197 0.525 1.00 50.51 C ATOM 760 O VAL A 51 4.763 1.118 0.004 1.00 49.49 O ATOM 761 CB VAL A 51 3.015 3.882 -0.583 1.00 49.91 C ATOM 762 CG1 VAL A 51 2.961 5.245 -1.258 1.00 49.73 C ATOM 763 CG2 VAL A 51 2.333 2.833 -1.448 1.00 49.73 C ATOM 0 H VAL A 51 5.038 2.467 -2.042 1.00 49.53 H new ATOM 0 HA VAL A 51 4.955 4.275 0.273 1.00 50.07 H new ATOM 0 HB VAL A 51 2.483 3.945 0.366 1.00 49.91 H new ATOM 0 HG11 VAL A 51 1.923 5.513 -1.454 1.00 49.73 H new ATOM 0 HG12 VAL A 51 3.412 5.992 -0.605 1.00 49.73 H new ATOM 0 HG13 VAL A 51 3.509 5.207 -2.199 1.00 49.73 H new ATOM 0 HG21 VAL A 51 1.303 3.134 -1.641 1.00 49.73 H new ATOM 0 HG22 VAL A 51 2.866 2.739 -2.394 1.00 49.73 H new ATOM 0 HG23 VAL A 51 2.340 1.874 -0.930 1.00 49.73 H new ATOM 773 N SER A 52 4.178 2.321 1.812 1.00 49.53 N ATOM 774 CA SER A 52 3.973 1.158 2.666 1.00 50.07 C ATOM 775 C SER A 52 2.521 1.047 3.110 1.00 50.51 C ATOM 776 O SER A 52 1.807 2.047 3.180 1.00 49.49 O ATOM 777 CB SER A 52 4.890 1.230 3.873 1.00 50.05 C ATOM 778 OG SER A 52 4.611 2.341 4.681 1.00 49.34 O ATOM 0 H SER A 52 4.066 3.217 2.287 1.00 49.53 H new ATOM 0 HA SER A 52 4.214 0.266 2.088 1.00 50.07 H new ATOM 0 HB2 SER A 52 4.786 0.319 4.462 1.00 50.05 H new ATOM 0 HB3 SER A 52 5.926 1.277 3.538 1.00 50.05 H new ATOM 0 HG SER A 52 5.222 2.350 5.447 1.00 49.34 H new ATOM 784 N PHE A 53 2.089 -0.174 3.406 1.00 49.53 N ATOM 785 CA PHE A 53 0.691 -0.434 3.730 1.00 50.07 C ATOM 786 C PHE A 53 0.513 -1.824 4.328 1.00 50.51 C ATOM 787 O PHE A 53 1.432 -2.645 4.297 1.00 49.49 O ATOM 788 CB PHE A 53 -0.183 -0.282 2.483 1.00 49.82 C ATOM 789 CG PHE A 53 0.245 -1.150 1.333 1.00 50.00 C ATOM 790 CD1 PHE A 53 1.161 -0.690 0.400 1.00 49.88 C ATOM 791 CD2 PHE A 53 -0.268 -2.430 1.183 1.00 49.88 C ATOM 792 CE1 PHE A 53 1.555 -1.485 -0.657 1.00 49.88 C ATOM 793 CE2 PHE A 53 0.125 -3.229 0.127 1.00 49.88 C ATOM 794 CZ PHE A 53 1.035 -2.757 -0.793 1.00 49.88 C ATOM 0 H PHE A 53 2.687 -1.000 3.428 1.00 49.53 H new ATOM 0 HA PHE A 53 0.379 0.299 4.474 1.00 50.07 H new ATOM 0 HB2 PHE A 53 -1.214 -0.521 2.742 1.00 49.82 H new ATOM 0 HB3 PHE A 53 -0.168 0.760 2.165 1.00 49.82 H new ATOM 0 HD1 PHE A 53 1.572 0.304 0.502 1.00 49.88 H new ATOM 0 HD2 PHE A 53 -0.983 -2.806 1.900 1.00 49.88 H new ATOM 0 HE1 PHE A 53 2.269 -1.113 -1.377 1.00 49.88 H new ATOM 0 HE2 PHE A 53 -0.281 -4.224 0.023 1.00 49.88 H new ATOM 0 HZ PHE A 53 1.341 -3.381 -1.620 1.00 49.88 H new ATOM 804 N THR A 54 -0.671 -2.082 4.868 1.00 49.53 N ATOM 805 CA THR A 54 -1.010 -3.408 5.372 1.00 50.07 C ATOM 806 C THR A 54 -2.216 -3.984 4.639 1.00 50.51 C ATOM 807 O THR A 54 -2.946 -3.259 3.962 1.00 49.49 O ATOM 808 CB THR A 54 -1.307 -3.382 6.882 1.00 50.14 C ATOM 809 OG1 THR A 54 -2.444 -2.548 7.134 1.00 49.34 O ATOM 810 CG2 THR A 54 -0.109 -2.846 7.651 1.00 49.73 C ATOM 0 H THR A 54 -1.414 -1.390 4.969 1.00 49.53 H new ATOM 0 HA THR A 54 -0.141 -4.042 5.193 1.00 50.07 H new ATOM 0 HB THR A 54 -1.514 -4.399 7.214 1.00 50.14 H new ATOM 0 HG1 THR A 54 -2.828 -2.773 8.007 1.00 49.34 H new ATOM 0 HG21 THR A 54 -0.336 -2.834 8.717 1.00 49.73 H new ATOM 0 HG22 THR A 54 0.755 -3.486 7.471 1.00 49.73 H new ATOM 0 HG23 THR A 54 0.114 -1.833 7.317 1.00 49.73 H new ATOM 818 N ILE A 55 -2.419 -5.290 4.777 1.00 49.53 N ATOM 819 CA ILE A 55 -3.545 -5.962 4.139 1.00 50.07 C ATOM 820 C ILE A 55 -4.575 -6.407 5.168 1.00 50.51 C ATOM 821 O ILE A 55 -4.273 -7.200 6.060 1.00 49.49 O ATOM 822 CB ILE A 55 -3.084 -7.185 3.324 1.00 49.91 C ATOM 823 CG1 ILE A 55 -2.057 -6.767 2.268 1.00 49.82 C ATOM 824 CG2 ILE A 55 -4.276 -7.868 2.672 1.00 49.73 C ATOM 825 CD1 ILE A 55 -2.582 -5.756 1.274 1.00 49.73 C ATOM 0 H ILE A 55 -1.818 -5.905 5.326 1.00 49.53 H new ATOM 0 HA ILE A 55 -4.002 -5.239 3.463 1.00 50.07 H new ATOM 0 HB ILE A 55 -2.610 -7.895 4.001 1.00 49.91 H new ATOM 0 HG12 ILE A 55 -1.183 -6.350 2.769 1.00 49.82 H new ATOM 0 HG13 ILE A 55 -1.723 -7.653 1.729 1.00 49.82 H new ATOM 0 HG21 ILE A 55 -3.933 -8.730 2.100 1.00 49.73 H new ATOM 0 HG22 ILE A 55 -4.973 -8.198 3.443 1.00 49.73 H new ATOM 0 HG23 ILE A 55 -4.778 -7.166 2.005 1.00 49.73 H new ATOM 0 HD11 ILE A 55 -1.798 -5.509 0.558 1.00 49.73 H new ATOM 0 HD12 ILE A 55 -3.437 -6.176 0.745 1.00 49.73 H new ATOM 0 HD13 ILE A 55 -2.890 -4.853 1.801 1.00 49.73 H new ATOM 923 N ALA A 63 -8.062 -5.966 1.319 1.00 49.53 N ATOM 924 CA ALA A 63 -7.648 -4.757 0.616 1.00 50.07 C ATOM 925 C ALA A 63 -6.538 -4.036 1.369 1.00 50.51 C ATOM 926 O ALA A 63 -6.287 -4.313 2.541 1.00 49.49 O ATOM 927 CB ALA A 63 -8.838 -3.833 0.406 1.00 49.73 C ATOM 0 HA ALA A 63 -7.256 -5.050 -0.358 1.00 50.07 H new ATOM 0 HB1 ALA A 63 -8.513 -2.935 -0.120 1.00 49.73 H new ATOM 0 HB2 ALA A 63 -9.597 -4.345 -0.186 1.00 49.73 H new ATOM 0 HB3 ALA A 63 -9.258 -3.555 1.373 1.00 49.73 H new ATOM 933 N ALA A 64 -5.874 -3.108 0.687 1.00 49.53 N ATOM 934 CA ALA A 64 -4.744 -2.392 1.268 1.00 50.07 C ATOM 935 C ALA A 64 -5.213 -1.208 2.103 1.00 50.51 C ATOM 936 O ALA A 64 -6.048 -0.417 1.662 1.00 49.49 O ATOM 937 CB ALA A 64 -3.791 -1.930 0.175 1.00 49.73 C ATOM 0 H ALA A 64 -6.099 -2.834 -0.269 1.00 49.53 H new ATOM 0 HA ALA A 64 -4.213 -3.078 1.928 1.00 50.07 H new ATOM 0 HB1 ALA A 64 -2.953 -1.397 0.624 1.00 49.73 H new ATOM 0 HB2 ALA A 64 -3.419 -2.796 -0.373 1.00 49.73 H new ATOM 0 HB3 ALA A 64 -4.318 -1.266 -0.510 1.00 49.73 H new ATOM 943 N GLY A 65 -4.671 -1.089 3.310 1.00 49.53 N ATOM 944 CA GLY A 65 -4.974 0.043 4.178 1.00 49.98 C ATOM 945 C GLY A 65 -3.708 0.601 4.815 1.00 50.51 C ATOM 946 O GLY A 65 -2.615 0.071 4.615 1.00 49.49 O ATOM 0 H GLY A 65 -4.019 -1.764 3.710 1.00 49.53 H new ATOM 0 HA2 GLY A 65 -5.470 0.824 3.602 1.00 49.98 H new ATOM 0 HA3 GLY A 65 -5.670 -0.268 4.957 1.00 49.98 H new ATOM 950 N ASN A 66 -3.862 1.674 5.583 1.00 49.53 N ATOM 951 CA ASN A 66 -2.726 2.335 6.213 1.00 50.07 C ATOM 952 C ASN A 66 -1.668 2.715 5.185 1.00 50.51 C ATOM 953 O ASN A 66 -0.475 2.502 5.400 1.00 49.49 O ATOM 954 CB ASN A 66 -2.113 1.469 7.299 1.00 49.82 C ATOM 955 CG ASN A 66 -3.060 1.146 8.422 1.00 50.55 C ATOM 956 OD1 ASN A 66 -3.601 2.041 9.082 1.00 49.45 O ATOM 957 ND2 ASN A 66 -3.200 -0.126 8.695 1.00 49.38 N ATOM 0 H ASN A 66 -4.764 2.105 5.784 1.00 49.53 H new ATOM 0 HA ASN A 66 -3.102 3.248 6.675 1.00 50.07 H new ATOM 0 HB2 ASN A 66 -1.761 0.539 6.854 1.00 49.82 H new ATOM 0 HB3 ASN A 66 -1.240 1.978 7.707 1.00 49.82 H new ATOM 0 HD21 ASN A 66 -3.777 -0.418 9.484 1.00 49.38 H new ATOM 0 HD22 ASN A 66 -2.732 -0.826 8.119 1.00 49.38 H new ATOM 964 N VAL A 67 -2.114 3.279 4.067 1.00 49.53 N ATOM 965 CA VAL A 67 -1.221 3.584 2.956 1.00 50.07 C ATOM 966 C VAL A 67 -0.542 4.934 3.148 1.00 50.51 C ATOM 967 O VAL A 67 -1.204 5.972 3.195 1.00 49.49 O ATOM 968 CB VAL A 67 -1.974 3.588 1.612 1.00 49.91 C ATOM 969 CG1 VAL A 67 -1.023 3.913 0.469 1.00 49.73 C ATOM 970 CG2 VAL A 67 -2.649 2.245 1.375 1.00 49.73 C ATOM 0 H VAL A 67 -3.089 3.534 3.907 1.00 49.53 H new ATOM 0 HA VAL A 67 -0.464 2.800 2.938 1.00 50.07 H new ATOM 0 HB VAL A 67 -2.743 4.359 1.651 1.00 49.91 H new ATOM 0 HG11 VAL A 67 -1.572 3.911 -0.473 1.00 49.73 H new ATOM 0 HG12 VAL A 67 -0.583 4.897 0.631 1.00 49.73 H new ATOM 0 HG13 VAL A 67 -0.232 3.164 0.429 1.00 49.73 H new ATOM 0 HG21 VAL A 67 -3.176 2.266 0.421 1.00 49.73 H new ATOM 0 HG22 VAL A 67 -1.896 1.457 1.356 1.00 49.73 H new ATOM 0 HG23 VAL A 67 -3.359 2.048 2.178 1.00 49.73 H new ATOM 980 N THR A 68 0.781 4.915 3.262 1.00 49.53 N ATOM 981 CA THR A 68 1.551 6.137 3.461 1.00 50.07 C ATOM 982 C THR A 68 2.897 6.062 2.750 1.00 50.51 C ATOM 983 O THR A 68 3.434 4.976 2.531 1.00 49.49 O ATOM 984 CB THR A 68 1.789 6.419 4.957 1.00 50.14 C ATOM 985 OG1 THR A 68 2.420 7.696 5.110 1.00 49.34 O ATOM 986 CG2 THR A 68 2.672 5.342 5.568 1.00 49.73 C ATOM 0 H THR A 68 1.344 4.065 3.220 1.00 49.53 H new ATOM 0 HA THR A 68 0.963 6.950 3.036 1.00 50.07 H new ATOM 0 HB THR A 68 0.827 6.419 5.470 1.00 50.14 H new ATOM 0 HG1 THR A 68 2.160 8.280 4.367 1.00 49.34 H new ATOM 0 HG21 THR A 68 2.830 5.557 6.625 1.00 49.73 H new ATOM 0 HG22 THR A 68 2.187 4.371 5.464 1.00 49.73 H new ATOM 0 HG23 THR A 68 3.633 5.325 5.054 1.00 49.73 H new ATOM 994 N SER A 69 3.434 7.222 2.389 1.00 49.53 N ATOM 995 CA SER A 69 4.700 7.288 1.670 1.00 50.07 C ATOM 996 C SER A 69 5.782 6.489 2.384 1.00 50.51 C ATOM 997 O SER A 69 5.879 6.516 3.611 1.00 49.49 O ATOM 998 CB SER A 69 5.132 8.732 1.504 1.00 50.05 C ATOM 999 OG SER A 69 4.149 9.507 0.874 1.00 49.34 O ATOM 0 H SER A 69 3.012 8.130 2.583 1.00 49.53 H new ATOM 0 HA SER A 69 4.553 6.846 0.684 1.00 50.07 H new ATOM 0 HB2 SER A 69 5.357 9.157 2.482 1.00 50.05 H new ATOM 0 HB3 SER A 69 6.052 8.770 0.921 1.00 50.05 H new ATOM 0 HG SER A 69 3.395 9.639 1.486 1.00 49.34 H new ATOM 1005 N LEU A 70 6.596 5.779 1.610 1.00 49.53 N ATOM 1006 CA LEU A 70 7.677 4.975 2.167 1.00 50.07 C ATOM 1007 C LEU A 70 8.884 5.839 2.513 1.00 50.51 C ATOM 1008 O LEU A 70 9.898 5.340 2.998 1.00 49.49 O ATOM 1009 CB LEU A 70 8.077 3.870 1.183 1.00 49.82 C ATOM 1010 CG LEU A 70 9.177 2.921 1.678 1.00 49.91 C ATOM 1011 CD1 LEU A 70 8.681 2.133 2.883 1.00 49.73 C ATOM 1012 CD2 LEU A 70 9.586 1.984 0.551 1.00 49.73 C ATOM 0 H LEU A 70 6.527 5.744 0.593 1.00 49.53 H new ATOM 0 HA LEU A 70 7.317 4.516 3.088 1.00 50.07 H new ATOM 0 HB2 LEU A 70 7.192 3.281 0.944 1.00 49.82 H new ATOM 0 HB3 LEU A 70 8.411 4.335 0.255 1.00 49.82 H new ATOM 0 HG LEU A 70 10.048 3.501 1.984 1.00 49.91 H new ATOM 0 HD11 LEU A 70 9.468 1.462 3.228 1.00 49.73 H new ATOM 0 HD12 LEU A 70 8.415 2.822 3.684 1.00 49.73 H new ATOM 0 HD13 LEU A 70 7.805 1.550 2.601 1.00 49.73 H new ATOM 0 HD21 LEU A 70 10.367 1.310 0.903 1.00 49.73 H new ATOM 0 HD22 LEU A 70 8.722 1.402 0.230 1.00 49.73 H new ATOM 0 HD23 LEU A 70 9.962 2.568 -0.289 1.00 49.73 H new