USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 508 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 8 THR OG1 : rot 180:sc=0.000458 USER MOD Set 1.2: A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -118:sc= 0.0619 (180deg=-0.13) USER MOD Single : A 14 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0864) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0582 X(o=-0.058,f=0) USER MOD Single : A 26 ASN : amide:sc= 0.213! K(o=0.21!,f=-0.53) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -2.44 K(o=-2.4,f=-3.4!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -2.6! K(o=-2.6!,f=-0.32) USER MOD Single : A 41 LYS NZ :NH3+ 145:sc= -0.208 (180deg=-0.787) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 1.23 (180deg=1.05) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.031 USER MOD Single : A 53 ASN : amide:sc= -0.437 K(o=-0.44,f=-4.2!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 55 LYS NZ :NH3+ 170:sc= -0.0199 (180deg=-0.21) USER MOD Single : A 58 SER OG : rot 35:sc= -0.56! USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.015) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -13.191 -2.452 -2.023 1.00 0.00 N ATOM 21 CA ALA A 2 -12.065 -2.010 -1.220 1.00 0.00 C ATOM 22 C ALA A 2 -11.764 -2.998 -0.100 1.00 0.00 C ATOM 23 O ALA A 2 -12.656 -3.396 0.654 1.00 0.00 O ATOM 24 CB ALA A 2 -12.333 -0.629 -0.641 1.00 0.00 C ATOM 0 HA ALA A 2 -11.192 -1.958 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -11.479 -0.314 -0.042 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -12.489 0.082 -1.453 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -13.223 -0.664 -0.013 1.00 0.00 H new ATOM 30 N MET A 3 -10.506 -3.392 -0.004 1.00 0.00 N ATOM 31 CA MET A 3 -10.043 -4.260 1.071 1.00 0.00 C ATOM 32 C MET A 3 -9.105 -3.484 1.981 1.00 0.00 C ATOM 33 O MET A 3 -8.527 -2.476 1.568 1.00 0.00 O ATOM 34 CB MET A 3 -9.309 -5.486 0.516 1.00 0.00 C ATOM 35 CG MET A 3 -10.199 -6.474 -0.223 1.00 0.00 C ATOM 36 SD MET A 3 -9.276 -7.890 -0.859 1.00 0.00 S ATOM 37 CE MET A 3 -10.611 -8.936 -1.431 1.00 0.00 C ATOM 0 H MET A 3 -9.777 -3.122 -0.665 1.00 0.00 H new ATOM 0 HA MET A 3 -10.913 -4.603 1.631 1.00 0.00 H new ATOM 0 HB2 MET A 3 -8.524 -5.148 -0.160 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.819 -6.004 1.340 1.00 0.00 H new ATOM 0 HG2 MET A 3 -10.982 -6.826 0.449 1.00 0.00 H new ATOM 0 HG3 MET A 3 -10.694 -5.965 -1.050 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.200 -9.853 -1.852 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.264 -9.182 -0.594 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.183 -8.410 -2.195 1.00 0.00 H new ATOM 47 N ASN A 4 -8.955 -3.945 3.212 1.00 0.00 N ATOM 48 CA ASN A 4 -8.043 -3.309 4.143 1.00 0.00 C ATOM 49 C ASN A 4 -6.715 -4.043 4.154 1.00 0.00 C ATOM 50 O ASN A 4 -6.661 -5.258 3.952 1.00 0.00 O ATOM 51 CB ASN A 4 -8.625 -3.270 5.560 1.00 0.00 C ATOM 52 CG ASN A 4 -8.577 -4.614 6.272 1.00 0.00 C ATOM 53 OD1 ASN A 4 -7.593 -4.935 6.947 1.00 0.00 O ATOM 54 ND2 ASN A 4 -9.634 -5.403 6.140 1.00 0.00 N ATOM 0 H ASN A 4 -9.451 -4.754 3.587 1.00 0.00 H new ATOM 0 HA ASN A 4 -7.890 -2.282 3.811 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -8.077 -2.535 6.150 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.660 -2.931 5.510 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.654 -6.311 6.605 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.427 -5.102 5.574 1.00 0.00 H new ATOM 61 N GLY A 5 -5.652 -3.298 4.373 1.00 0.00 N ATOM 62 CA GLY A 5 -4.333 -3.888 4.439 1.00 0.00 C ATOM 63 C GLY A 5 -3.450 -3.174 5.432 1.00 0.00 C ATOM 64 O GLY A 5 -3.780 -2.072 5.879 1.00 0.00 O ATOM 0 H GLY A 5 -5.675 -2.287 4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.418 -4.938 4.717 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.871 -3.856 3.452 1.00 0.00 H new ATOM 68 N THR A 6 -2.341 -3.794 5.791 1.00 0.00 N ATOM 69 CA THR A 6 -1.390 -3.179 6.696 1.00 0.00 C ATOM 70 C THR A 6 -0.037 -3.045 6.011 1.00 0.00 C ATOM 71 O THR A 6 0.441 -3.975 5.359 1.00 0.00 O ATOM 72 CB THR A 6 -1.230 -3.997 7.988 1.00 0.00 C ATOM 73 OG1 THR A 6 -2.520 -4.362 8.503 1.00 0.00 O ATOM 74 CG2 THR A 6 -0.470 -3.204 9.045 1.00 0.00 C ATOM 0 H THR A 6 -2.077 -4.725 5.468 1.00 0.00 H new ATOM 0 HA THR A 6 -1.772 -2.193 6.962 1.00 0.00 H new ATOM 0 HB THR A 6 -0.662 -4.896 7.749 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.408 -4.884 9.325 1.00 0.00 H new ATOM 0 HG21 THR A 6 -0.370 -3.805 9.949 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.520 -2.950 8.667 1.00 0.00 H new ATOM 0 HG23 THR A 6 -1.016 -2.289 9.276 1.00 0.00 H new ATOM 82 N ILE A 7 0.569 -1.886 6.161 1.00 0.00 N ATOM 83 CA ILE A 7 1.817 -1.577 5.479 1.00 0.00 C ATOM 84 C ILE A 7 2.989 -2.276 6.162 1.00 0.00 C ATOM 85 O ILE A 7 3.282 -2.010 7.327 1.00 0.00 O ATOM 86 CB ILE A 7 2.065 -0.059 5.453 1.00 0.00 C ATOM 87 CG1 ILE A 7 0.832 0.660 4.894 1.00 0.00 C ATOM 88 CG2 ILE A 7 3.304 0.263 4.626 1.00 0.00 C ATOM 89 CD1 ILE A 7 0.912 2.168 4.960 1.00 0.00 C ATOM 0 H ILE A 7 0.217 -1.134 6.753 1.00 0.00 H new ATOM 0 HA ILE A 7 1.735 -1.938 4.454 1.00 0.00 H new ATOM 0 HB ILE A 7 2.239 0.291 6.470 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.690 0.360 3.856 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -0.049 0.329 5.445 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.466 1.341 4.617 1.00 0.00 H new ATOM 0 HG22 ILE A 7 4.172 -0.231 5.063 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.162 -0.091 3.605 1.00 0.00 H new ATOM 0 HD11 ILE A 7 0.001 2.599 4.545 1.00 0.00 H new ATOM 0 HD12 ILE A 7 1.022 2.481 5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 7 1.771 2.512 4.384 1.00 0.00 H new ATOM 101 N THR A 8 3.652 -3.168 5.443 1.00 0.00 N ATOM 102 CA THR A 8 4.737 -3.939 6.016 1.00 0.00 C ATOM 103 C THR A 8 6.085 -3.375 5.596 1.00 0.00 C ATOM 104 O THR A 8 6.981 -3.183 6.420 1.00 0.00 O ATOM 105 CB THR A 8 4.642 -5.414 5.590 1.00 0.00 C ATOM 106 OG1 THR A 8 4.396 -5.500 4.181 1.00 0.00 O ATOM 107 CG2 THR A 8 3.535 -6.130 6.348 1.00 0.00 C ATOM 0 H THR A 8 3.456 -3.374 4.463 1.00 0.00 H new ATOM 0 HA THR A 8 4.650 -3.875 7.101 1.00 0.00 H new ATOM 0 HB THR A 8 5.590 -5.898 5.825 1.00 0.00 H new ATOM 0 HG1 THR A 8 4.338 -6.442 3.916 1.00 0.00 H new ATOM 0 HG21 THR A 8 3.489 -7.171 6.028 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.740 -6.088 7.418 1.00 0.00 H new ATOM 0 HG23 THR A 8 2.581 -5.645 6.142 1.00 0.00 H new ATOM 115 N THR A 9 6.214 -3.096 4.310 1.00 0.00 N ATOM 116 CA THR A 9 7.464 -2.621 3.755 1.00 0.00 C ATOM 117 C THR A 9 7.266 -1.295 3.031 1.00 0.00 C ATOM 118 O THR A 9 6.443 -1.197 2.122 1.00 0.00 O ATOM 119 CB THR A 9 8.041 -3.652 2.769 1.00 0.00 C ATOM 120 OG1 THR A 9 8.031 -4.954 3.368 1.00 0.00 O ATOM 121 CG2 THR A 9 9.463 -3.287 2.374 1.00 0.00 C ATOM 0 H THR A 9 5.461 -3.192 3.629 1.00 0.00 H new ATOM 0 HA THR A 9 8.161 -2.477 4.581 1.00 0.00 H new ATOM 0 HB THR A 9 7.420 -3.654 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 9 8.398 -5.608 2.736 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.849 -4.030 1.677 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.468 -2.306 1.898 1.00 0.00 H new ATOM 0 HG23 THR A 9 10.093 -3.262 3.263 1.00 0.00 H new ATOM 129 N TRP A 10 8.005 -0.276 3.440 1.00 0.00 N ATOM 130 CA TRP A 10 7.947 1.010 2.768 1.00 0.00 C ATOM 131 C TRP A 10 9.349 1.531 2.481 1.00 0.00 C ATOM 132 O TRP A 10 10.131 1.792 3.399 1.00 0.00 O ATOM 133 CB TRP A 10 7.157 2.026 3.602 1.00 0.00 C ATOM 134 CG TRP A 10 7.140 3.409 3.015 1.00 0.00 C ATOM 135 CD1 TRP A 10 7.484 4.566 3.651 1.00 0.00 C ATOM 136 CD2 TRP A 10 6.773 3.781 1.675 1.00 0.00 C ATOM 137 NE1 TRP A 10 7.342 5.635 2.801 1.00 0.00 N ATOM 138 CE2 TRP A 10 6.909 5.180 1.582 1.00 0.00 C ATOM 139 CE3 TRP A 10 6.337 3.070 0.550 1.00 0.00 C ATOM 140 CZ2 TRP A 10 6.630 5.879 0.408 1.00 0.00 C ATOM 141 CZ3 TRP A 10 6.062 3.767 -0.614 1.00 0.00 C ATOM 142 CH2 TRP A 10 6.208 5.159 -0.677 1.00 0.00 C ATOM 0 H TRP A 10 8.649 -0.315 4.230 1.00 0.00 H new ATOM 0 HA TRP A 10 7.430 0.872 1.818 1.00 0.00 H new ATOM 0 HB2 TRP A 10 6.131 1.674 3.710 1.00 0.00 H new ATOM 0 HB3 TRP A 10 7.585 2.072 4.603 1.00 0.00 H new ATOM 0 HD1 TRP A 10 7.820 4.632 4.675 1.00 0.00 H new ATOM 0 HE1 TRP A 10 7.528 6.609 3.038 1.00 0.00 H new ATOM 0 HE3 TRP A 10 6.217 1.997 0.590 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 6.743 6.952 0.357 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 5.729 3.228 -1.489 1.00 0.00 H new ATOM 0 HH2 TRP A 10 5.983 5.674 -1.599 1.00 0.00 H new ATOM 153 N PHE A 11 9.668 1.661 1.203 1.00 0.00 N ATOM 154 CA PHE A 11 10.921 2.257 0.788 1.00 0.00 C ATOM 155 C PHE A 11 10.663 3.662 0.259 1.00 0.00 C ATOM 156 O PHE A 11 10.391 3.849 -0.927 1.00 0.00 O ATOM 157 CB PHE A 11 11.605 1.415 -0.292 1.00 0.00 C ATOM 158 CG PHE A 11 12.001 0.035 0.145 1.00 0.00 C ATOM 159 CD1 PHE A 11 13.057 -0.152 1.020 1.00 0.00 C ATOM 160 CD2 PHE A 11 11.324 -1.075 -0.332 1.00 0.00 C ATOM 161 CE1 PHE A 11 13.428 -1.422 1.417 1.00 0.00 C ATOM 162 CE2 PHE A 11 11.693 -2.347 0.060 1.00 0.00 C ATOM 163 CZ PHE A 11 12.747 -2.522 0.935 1.00 0.00 C ATOM 0 H PHE A 11 9.070 1.359 0.434 1.00 0.00 H new ATOM 0 HA PHE A 11 11.584 2.301 1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 11 10.935 1.332 -1.147 1.00 0.00 H new ATOM 0 HB3 PHE A 11 12.495 1.942 -0.635 1.00 0.00 H new ATOM 0 HD1 PHE A 11 13.597 0.704 1.396 1.00 0.00 H new ATOM 0 HD2 PHE A 11 10.499 -0.945 -1.017 1.00 0.00 H new ATOM 0 HE1 PHE A 11 14.251 -1.554 2.104 1.00 0.00 H new ATOM 0 HE2 PHE A 11 11.157 -3.205 -0.318 1.00 0.00 H new ATOM 0 HZ PHE A 11 13.038 -3.516 1.241 1.00 0.00 H new ATOM 173 N LYS A 12 10.726 4.636 1.155 1.00 0.00 N ATOM 174 CA LYS A 12 10.502 6.034 0.803 1.00 0.00 C ATOM 175 C LYS A 12 11.508 6.494 -0.247 1.00 0.00 C ATOM 176 O LYS A 12 11.168 7.227 -1.174 1.00 0.00 O ATOM 177 CB LYS A 12 10.621 6.904 2.058 1.00 0.00 C ATOM 178 CG LYS A 12 10.443 8.394 1.802 1.00 0.00 C ATOM 179 CD LYS A 12 9.061 8.710 1.262 1.00 0.00 C ATOM 180 CE LYS A 12 8.858 10.210 1.108 1.00 0.00 C ATOM 181 NZ LYS A 12 7.497 10.542 0.605 1.00 0.00 N ATOM 0 H LYS A 12 10.933 4.483 2.142 1.00 0.00 H new ATOM 0 HA LYS A 12 9.500 6.134 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 12 9.875 6.580 2.784 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.599 6.738 2.510 1.00 0.00 H new ATOM 0 HG2 LYS A 12 10.606 8.944 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 12 11.197 8.734 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.925 8.221 0.297 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.304 8.305 1.934 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.018 10.698 2.070 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.605 10.608 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.574 11.023 -0.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.946 9.667 0.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.019 11.168 1.284 1.00 0.00 H new ATOM 195 N ASP A 13 12.738 6.033 -0.096 1.00 0.00 N ATOM 196 CA ASP A 13 13.827 6.418 -0.989 1.00 0.00 C ATOM 197 C ASP A 13 13.724 5.694 -2.335 1.00 0.00 C ATOM 198 O ASP A 13 14.205 6.188 -3.353 1.00 0.00 O ATOM 199 CB ASP A 13 15.175 6.123 -0.316 1.00 0.00 C ATOM 200 CG ASP A 13 16.366 6.558 -1.148 1.00 0.00 C ATOM 201 OD1 ASP A 13 16.721 7.755 -1.113 1.00 0.00 O ATOM 202 OD2 ASP A 13 16.969 5.697 -1.823 1.00 0.00 O ATOM 0 H ASP A 13 13.013 5.385 0.643 1.00 0.00 H new ATOM 0 HA ASP A 13 13.752 7.487 -1.186 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.210 6.628 0.649 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.249 5.054 -0.119 1.00 0.00 H new ATOM 207 N LYS A 14 13.088 4.526 -2.344 1.00 0.00 N ATOM 208 CA LYS A 14 12.905 3.770 -3.584 1.00 0.00 C ATOM 209 C LYS A 14 11.686 4.267 -4.354 1.00 0.00 C ATOM 210 O LYS A 14 11.697 4.328 -5.587 1.00 0.00 O ATOM 211 CB LYS A 14 12.752 2.273 -3.300 1.00 0.00 C ATOM 212 CG LYS A 14 14.027 1.575 -2.849 1.00 0.00 C ATOM 213 CD LYS A 14 15.128 1.702 -3.887 1.00 0.00 C ATOM 214 CE LYS A 14 16.266 0.722 -3.636 1.00 0.00 C ATOM 215 NZ LYS A 14 16.812 0.822 -2.258 1.00 0.00 N ATOM 0 H LYS A 14 12.693 4.083 -1.515 1.00 0.00 H new ATOM 0 HA LYS A 14 13.796 3.926 -4.192 1.00 0.00 H new ATOM 0 HB2 LYS A 14 11.990 2.139 -2.532 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.385 1.782 -4.201 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.364 2.004 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.820 0.521 -2.664 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.712 1.528 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.518 2.720 -3.879 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.911 -0.294 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.065 0.907 -4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.657 0.222 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.068 1.810 -2.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.094 0.505 -1.576 1.00 0.00 H new ATOM 229 N GLY A 15 10.631 4.609 -3.625 1.00 0.00 N ATOM 230 CA GLY A 15 9.425 5.115 -4.253 1.00 0.00 C ATOM 231 C GLY A 15 8.312 4.087 -4.308 1.00 0.00 C ATOM 232 O GLY A 15 7.242 4.346 -4.868 1.00 0.00 O ATOM 0 H GLY A 15 10.589 4.545 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 15 9.077 5.991 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.659 5.444 -5.265 1.00 0.00 H new ATOM 236 N PHE A 16 8.554 2.919 -3.729 1.00 0.00 N ATOM 237 CA PHE A 16 7.554 1.858 -3.709 1.00 0.00 C ATOM 238 C PHE A 16 7.614 1.081 -2.400 1.00 0.00 C ATOM 239 O PHE A 16 8.478 1.331 -1.556 1.00 0.00 O ATOM 240 CB PHE A 16 7.734 0.910 -4.904 1.00 0.00 C ATOM 241 CG PHE A 16 9.038 0.155 -4.922 1.00 0.00 C ATOM 242 CD1 PHE A 16 10.158 0.691 -5.535 1.00 0.00 C ATOM 243 CD2 PHE A 16 9.138 -1.098 -4.332 1.00 0.00 C ATOM 244 CE1 PHE A 16 11.353 -0.003 -5.557 1.00 0.00 C ATOM 245 CE2 PHE A 16 10.332 -1.796 -4.351 1.00 0.00 C ATOM 246 CZ PHE A 16 11.440 -1.246 -4.963 1.00 0.00 C ATOM 0 H PHE A 16 9.432 2.681 -3.267 1.00 0.00 H new ATOM 0 HA PHE A 16 6.572 2.324 -3.788 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.914 0.191 -4.906 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.653 1.489 -5.824 1.00 0.00 H new ATOM 0 HD1 PHE A 16 10.097 1.663 -6.002 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.273 -1.533 -3.853 1.00 0.00 H new ATOM 0 HE1 PHE A 16 12.219 0.427 -6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 16 10.397 -2.769 -3.888 1.00 0.00 H new ATOM 0 HZ PHE A 16 12.374 -1.788 -4.977 1.00 0.00 H new ATOM 256 N GLY A 17 6.702 0.135 -2.242 1.00 0.00 N ATOM 257 CA GLY A 17 6.649 -0.647 -1.028 1.00 0.00 C ATOM 258 C GLY A 17 5.745 -1.853 -1.161 1.00 0.00 C ATOM 259 O GLY A 17 5.311 -2.197 -2.264 1.00 0.00 O ATOM 0 H GLY A 17 5.995 -0.105 -2.937 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.655 -0.977 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.296 -0.020 -0.209 1.00 0.00 H new ATOM 263 N PHE A 18 5.450 -2.489 -0.036 1.00 0.00 N ATOM 264 CA PHE A 18 4.620 -3.679 -0.020 1.00 0.00 C ATOM 265 C PHE A 18 3.656 -3.610 1.150 1.00 0.00 C ATOM 266 O PHE A 18 4.051 -3.323 2.284 1.00 0.00 O ATOM 267 CB PHE A 18 5.474 -4.946 0.093 1.00 0.00 C ATOM 268 CG PHE A 18 6.458 -5.122 -1.032 1.00 0.00 C ATOM 269 CD1 PHE A 18 6.048 -5.632 -2.254 1.00 0.00 C ATOM 270 CD2 PHE A 18 7.791 -4.780 -0.865 1.00 0.00 C ATOM 271 CE1 PHE A 18 6.950 -5.796 -3.291 1.00 0.00 C ATOM 272 CE2 PHE A 18 8.697 -4.942 -1.896 1.00 0.00 C ATOM 273 CZ PHE A 18 8.276 -5.450 -3.111 1.00 0.00 C ATOM 0 H PHE A 18 5.778 -2.195 0.884 1.00 0.00 H new ATOM 0 HA PHE A 18 4.065 -3.722 -0.957 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.018 -4.923 1.037 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.816 -5.814 0.126 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.013 -5.904 -2.399 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.125 -4.382 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.618 -6.194 -4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 18 9.733 -4.672 -1.753 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.982 -5.576 -3.918 1.00 0.00 H new ATOM 283 N ILE A 19 2.395 -3.854 0.867 1.00 0.00 N ATOM 284 CA ILE A 19 1.368 -3.837 1.889 1.00 0.00 C ATOM 285 C ILE A 19 0.663 -5.182 1.915 1.00 0.00 C ATOM 286 O ILE A 19 0.266 -5.705 0.873 1.00 0.00 O ATOM 287 CB ILE A 19 0.348 -2.702 1.643 1.00 0.00 C ATOM 288 CG1 ILE A 19 1.041 -1.339 1.732 1.00 0.00 C ATOM 289 CG2 ILE A 19 -0.805 -2.784 2.630 1.00 0.00 C ATOM 290 CD1 ILE A 19 0.137 -0.170 1.408 1.00 0.00 C ATOM 0 H ILE A 19 2.053 -4.068 -0.070 1.00 0.00 H new ATOM 0 HA ILE A 19 1.841 -3.651 2.853 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.062 -2.820 0.640 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.439 -1.210 2.738 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.891 -1.329 1.049 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.509 -1.974 2.436 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.313 -3.742 2.517 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.421 -2.695 3.646 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.700 0.760 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.241 -0.274 0.391 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.700 -0.153 2.106 1.00 0.00 H new ATOM 302 N LYS A 20 0.534 -5.749 3.102 1.00 0.00 N ATOM 303 CA LYS A 20 -0.054 -7.064 3.255 1.00 0.00 C ATOM 304 C LYS A 20 -1.462 -6.921 3.804 1.00 0.00 C ATOM 305 O LYS A 20 -1.665 -6.388 4.898 1.00 0.00 O ATOM 306 CB LYS A 20 0.825 -7.917 4.176 1.00 0.00 C ATOM 307 CG LYS A 20 0.583 -9.417 4.078 1.00 0.00 C ATOM 308 CD LYS A 20 -0.512 -9.890 5.016 1.00 0.00 C ATOM 309 CE LYS A 20 -0.754 -11.382 4.861 1.00 0.00 C ATOM 310 NZ LYS A 20 -1.715 -11.909 5.867 1.00 0.00 N ATOM 0 H LYS A 20 0.831 -5.315 3.976 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.113 -7.566 2.289 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.871 -7.716 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.660 -7.603 5.207 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.315 -9.673 3.053 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.508 -9.947 4.307 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.234 -9.668 6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.433 -9.345 4.810 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.134 -11.583 3.859 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.193 -11.913 4.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -1.847 -12.930 5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.342 -11.742 6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.629 -11.423 5.762 1.00 0.00 H new ATOM 324 N ASP A 21 -2.428 -7.368 3.028 1.00 0.00 N ATOM 325 CA ASP A 21 -3.826 -7.217 3.402 1.00 0.00 C ATOM 326 C ASP A 21 -4.280 -8.368 4.277 1.00 0.00 C ATOM 327 O ASP A 21 -3.507 -9.273 4.593 1.00 0.00 O ATOM 328 CB ASP A 21 -4.725 -7.110 2.170 1.00 0.00 C ATOM 329 CG ASP A 21 -4.755 -8.370 1.331 1.00 0.00 C ATOM 330 OD1 ASP A 21 -3.817 -8.595 0.545 1.00 0.00 O ATOM 331 OD2 ASP A 21 -5.739 -9.125 1.430 1.00 0.00 O ATOM 0 H ASP A 21 -2.275 -7.838 2.136 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.912 -6.290 3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.739 -6.872 2.490 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.383 -6.280 1.552 1.00 0.00 H new ATOM 336 N GLU A 22 -5.544 -8.335 4.649 1.00 0.00 N ATOM 337 CA GLU A 22 -6.073 -9.288 5.611 1.00 0.00 C ATOM 338 C GLU A 22 -6.690 -10.507 4.929 1.00 0.00 C ATOM 339 O GLU A 22 -7.122 -11.447 5.597 1.00 0.00 O ATOM 340 CB GLU A 22 -7.095 -8.603 6.519 1.00 0.00 C ATOM 341 CG GLU A 22 -7.118 -9.164 7.931 1.00 0.00 C ATOM 342 CD GLU A 22 -7.981 -8.353 8.869 1.00 0.00 C ATOM 343 OE1 GLU A 22 -9.217 -8.350 8.695 1.00 0.00 O ATOM 344 OE2 GLU A 22 -7.426 -7.726 9.799 1.00 0.00 O ATOM 0 H GLU A 22 -6.225 -7.660 4.302 1.00 0.00 H new ATOM 0 HA GLU A 22 -5.240 -9.647 6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.874 -7.537 6.563 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.087 -8.705 6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.484 -10.190 7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.100 -9.199 8.320 1.00 0.00 H new ATOM 351 N ASN A 23 -6.705 -10.513 3.607 1.00 0.00 N ATOM 352 CA ASN A 23 -7.320 -11.605 2.866 1.00 0.00 C ATOM 353 C ASN A 23 -6.271 -12.419 2.116 1.00 0.00 C ATOM 354 O ASN A 23 -6.182 -13.638 2.279 1.00 0.00 O ATOM 355 CB ASN A 23 -8.364 -11.058 1.887 1.00 0.00 C ATOM 356 CG ASN A 23 -9.061 -12.149 1.090 1.00 0.00 C ATOM 357 OD1 ASN A 23 -10.078 -12.695 1.521 1.00 0.00 O ATOM 358 ND2 ASN A 23 -8.528 -12.464 -0.084 1.00 0.00 N ATOM 0 H ASN A 23 -6.301 -9.779 3.026 1.00 0.00 H new ATOM 0 HA ASN A 23 -7.813 -12.264 3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -9.110 -10.488 2.441 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -7.880 -10.365 1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -8.962 -13.182 -0.665 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -7.685 -11.988 -0.405 1.00 0.00 H new ATOM 365 N GLY A 24 -5.467 -11.738 1.311 1.00 0.00 N ATOM 366 CA GLY A 24 -4.521 -12.418 0.454 1.00 0.00 C ATOM 367 C GLY A 24 -3.121 -12.465 1.030 1.00 0.00 C ATOM 368 O GLY A 24 -2.822 -13.298 1.887 1.00 0.00 O ATOM 0 H GLY A 24 -5.455 -10.721 1.237 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.868 -13.436 0.276 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.492 -11.917 -0.514 1.00 0.00 H new ATOM 372 N ASP A 25 -2.269 -11.561 0.571 1.00 0.00 N ATOM 373 CA ASP A 25 -0.851 -11.588 0.913 1.00 0.00 C ATOM 374 C ASP A 25 -0.261 -10.197 0.696 1.00 0.00 C ATOM 375 O ASP A 25 -0.999 -9.213 0.680 1.00 0.00 O ATOM 376 CB ASP A 25 -0.127 -12.625 0.039 1.00 0.00 C ATOM 377 CG ASP A 25 1.111 -13.201 0.700 1.00 0.00 C ATOM 378 OD1 ASP A 25 2.191 -12.585 0.600 1.00 0.00 O ATOM 379 OD2 ASP A 25 1.007 -14.284 1.314 1.00 0.00 O ATOM 0 H ASP A 25 -2.536 -10.793 -0.045 1.00 0.00 H new ATOM 0 HA ASP A 25 -0.724 -11.870 1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -0.816 -13.436 -0.198 1.00 0.00 H new ATOM 0 HB3 ASP A 25 0.156 -12.161 -0.906 1.00 0.00 H new ATOM 384 N ASN A 26 1.053 -10.098 0.540 1.00 0.00 N ATOM 385 CA ASN A 26 1.670 -8.815 0.261 1.00 0.00 C ATOM 386 C ASN A 26 1.455 -8.421 -1.198 1.00 0.00 C ATOM 387 O ASN A 26 1.674 -9.215 -2.113 1.00 0.00 O ATOM 388 CB ASN A 26 3.169 -8.801 0.629 1.00 0.00 C ATOM 389 CG ASN A 26 3.974 -10.006 0.143 1.00 0.00 C ATOM 390 OD1 ASN A 26 4.903 -10.444 0.825 1.00 0.00 O ATOM 391 ND2 ASN A 26 3.663 -10.532 -1.030 1.00 0.00 N ATOM 0 H ASN A 26 1.702 -10.882 0.602 1.00 0.00 H new ATOM 0 HA ASN A 26 1.183 -8.072 0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 26 3.618 -7.896 0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.259 -8.739 1.713 1.00 0.00 H new ATOM 0 HD21 ASN A 26 4.197 -11.322 -1.393 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.889 -10.148 -1.572 1.00 0.00 H new ATOM 398 N ARG A 27 0.987 -7.206 -1.406 1.00 0.00 N ATOM 399 CA ARG A 27 0.744 -6.701 -2.745 1.00 0.00 C ATOM 400 C ARG A 27 1.790 -5.654 -3.084 1.00 0.00 C ATOM 401 O ARG A 27 2.325 -4.997 -2.188 1.00 0.00 O ATOM 402 CB ARG A 27 -0.662 -6.106 -2.833 1.00 0.00 C ATOM 403 CG ARG A 27 -1.746 -7.040 -2.316 1.00 0.00 C ATOM 404 CD ARG A 27 -3.128 -6.418 -2.423 1.00 0.00 C ATOM 405 NE ARG A 27 -4.137 -7.206 -1.717 1.00 0.00 N ATOM 406 CZ ARG A 27 -5.439 -7.188 -1.995 1.00 0.00 C ATOM 407 NH1 ARG A 27 -5.901 -6.442 -2.993 1.00 0.00 N ATOM 408 NH2 ARG A 27 -6.278 -7.920 -1.270 1.00 0.00 N ATOM 0 H ARG A 27 0.766 -6.546 -0.660 1.00 0.00 H new ATOM 0 HA ARG A 27 0.815 -7.518 -3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -0.692 -5.177 -2.264 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.877 -5.851 -3.871 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.722 -7.972 -2.881 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.541 -7.293 -1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.104 -5.408 -2.013 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.406 -6.330 -3.473 1.00 0.00 H new ATOM 0 HE ARG A 27 -3.822 -7.811 -0.959 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.257 -5.880 -3.550 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.899 -6.432 -3.202 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.924 -8.493 -0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -7.276 -7.909 -1.480 1.00 0.00 H new ATOM 422 N TYR A 28 2.098 -5.511 -4.360 1.00 0.00 N ATOM 423 CA TYR A 28 3.062 -4.515 -4.793 1.00 0.00 C ATOM 424 C TYR A 28 2.421 -3.134 -4.811 1.00 0.00 C ATOM 425 O TYR A 28 1.382 -2.921 -5.447 1.00 0.00 O ATOM 426 CB TYR A 28 3.623 -4.860 -6.177 1.00 0.00 C ATOM 427 CG TYR A 28 4.507 -3.777 -6.765 1.00 0.00 C ATOM 428 CD1 TYR A 28 5.803 -3.579 -6.303 1.00 0.00 C ATOM 429 CD2 TYR A 28 4.037 -2.944 -7.774 1.00 0.00 C ATOM 430 CE1 TYR A 28 6.605 -2.584 -6.833 1.00 0.00 C ATOM 431 CE2 TYR A 28 4.831 -1.947 -8.305 1.00 0.00 C ATOM 432 CZ TYR A 28 6.113 -1.771 -7.832 1.00 0.00 C ATOM 433 OH TYR A 28 6.902 -0.773 -8.358 1.00 0.00 O ATOM 0 H TYR A 28 1.696 -6.070 -5.113 1.00 0.00 H new ATOM 0 HA TYR A 28 3.889 -4.510 -4.083 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.195 -5.785 -6.107 1.00 0.00 H new ATOM 0 HB3 TYR A 28 2.794 -5.049 -6.858 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.190 -4.212 -5.518 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.033 -3.079 -8.149 1.00 0.00 H new ATOM 0 HE1 TYR A 28 7.611 -2.445 -6.466 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.449 -1.308 -9.087 1.00 0.00 H new ATOM 0 HH TYR A 28 6.404 -0.294 -9.053 1.00 0.00 H new ATOM 443 N PHE A 29 3.032 -2.204 -4.097 1.00 0.00 N ATOM 444 CA PHE A 29 2.559 -0.837 -4.077 1.00 0.00 C ATOM 445 C PHE A 29 3.639 0.098 -4.575 1.00 0.00 C ATOM 446 O PHE A 29 4.831 -0.142 -4.392 1.00 0.00 O ATOM 447 CB PHE A 29 2.105 -0.424 -2.681 1.00 0.00 C ATOM 448 CG PHE A 29 0.835 -1.097 -2.246 1.00 0.00 C ATOM 449 CD1 PHE A 29 0.836 -2.420 -1.843 1.00 0.00 C ATOM 450 CD2 PHE A 29 -0.364 -0.407 -2.247 1.00 0.00 C ATOM 451 CE1 PHE A 29 -0.331 -3.043 -1.454 1.00 0.00 C ATOM 452 CE2 PHE A 29 -1.536 -1.024 -1.856 1.00 0.00 C ATOM 453 CZ PHE A 29 -1.518 -2.344 -1.460 1.00 0.00 C ATOM 0 H PHE A 29 3.858 -2.375 -3.524 1.00 0.00 H new ATOM 0 HA PHE A 29 1.697 -0.772 -4.741 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.894 -0.656 -1.966 1.00 0.00 H new ATOM 0 HB3 PHE A 29 1.962 0.656 -2.658 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.764 -2.973 -1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.384 0.627 -2.557 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.314 -4.078 -1.145 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.465 -0.473 -1.861 1.00 0.00 H new ATOM 0 HZ PHE A 29 -2.433 -2.830 -1.155 1.00 0.00 H new ATOM 463 N HIS A 30 3.205 1.159 -5.208 1.00 0.00 N ATOM 464 CA HIS A 30 4.097 2.122 -5.815 1.00 0.00 C ATOM 465 C HIS A 30 3.445 3.497 -5.760 1.00 0.00 C ATOM 466 O HIS A 30 2.227 3.607 -5.900 1.00 0.00 O ATOM 467 CB HIS A 30 4.387 1.684 -7.259 1.00 0.00 C ATOM 468 CG HIS A 30 5.343 2.557 -8.018 1.00 0.00 C ATOM 469 ND1 HIS A 30 5.177 2.848 -9.354 1.00 0.00 N ATOM 470 CD2 HIS A 30 6.457 3.219 -7.629 1.00 0.00 C ATOM 471 CE1 HIS A 30 6.132 3.659 -9.751 1.00 0.00 C ATOM 472 NE2 HIS A 30 6.924 3.899 -8.725 1.00 0.00 N ATOM 0 H HIS A 30 2.216 1.383 -5.319 1.00 0.00 H new ATOM 0 HA HIS A 30 5.045 2.175 -5.279 1.00 0.00 H new ATOM 0 HB2 HIS A 30 4.785 0.670 -7.240 1.00 0.00 H new ATOM 0 HB3 HIS A 30 3.444 1.646 -7.805 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.896 3.213 -6.642 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.248 4.060 -10.747 1.00 0.00 H new ATOM 0 HE2 HIS A 30 7.752 4.495 -8.743 1.00 0.00 H new ATOM 481 N VAL A 31 4.258 4.530 -5.549 1.00 0.00 N ATOM 482 CA VAL A 31 3.779 5.910 -5.371 1.00 0.00 C ATOM 483 C VAL A 31 2.777 6.343 -6.459 1.00 0.00 C ATOM 484 O VAL A 31 1.932 7.206 -6.228 1.00 0.00 O ATOM 485 CB VAL A 31 4.977 6.894 -5.334 1.00 0.00 C ATOM 486 CG1 VAL A 31 5.757 6.856 -6.641 1.00 0.00 C ATOM 487 CG2 VAL A 31 4.520 8.313 -5.024 1.00 0.00 C ATOM 0 H VAL A 31 5.273 4.439 -5.496 1.00 0.00 H new ATOM 0 HA VAL A 31 3.248 5.936 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 31 5.640 6.572 -4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 31 6.591 7.555 -6.587 1.00 0.00 H new ATOM 0 HG12 VAL A 31 6.138 5.849 -6.808 1.00 0.00 H new ATOM 0 HG13 VAL A 31 5.101 7.137 -7.465 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.384 8.978 -5.005 1.00 0.00 H new ATOM 0 HG22 VAL A 31 3.822 8.646 -5.792 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.027 8.332 -4.052 1.00 0.00 H new ATOM 497 N ILE A 32 2.862 5.717 -7.627 1.00 0.00 N ATOM 498 CA ILE A 32 2.001 6.054 -8.754 1.00 0.00 C ATOM 499 C ILE A 32 0.524 5.734 -8.468 1.00 0.00 C ATOM 500 O ILE A 32 -0.374 6.442 -8.921 1.00 0.00 O ATOM 501 CB ILE A 32 2.464 5.309 -10.030 1.00 0.00 C ATOM 502 CG1 ILE A 32 1.649 5.750 -11.235 1.00 0.00 C ATOM 503 CG2 ILE A 32 2.336 3.804 -9.849 1.00 0.00 C ATOM 504 CD1 ILE A 32 2.306 5.449 -12.567 1.00 0.00 C ATOM 0 H ILE A 32 3.525 4.966 -7.819 1.00 0.00 H new ATOM 0 HA ILE A 32 2.084 7.129 -8.912 1.00 0.00 H new ATOM 0 HB ILE A 32 3.511 5.557 -10.201 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.676 5.259 -11.202 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.467 6.823 -11.165 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.666 3.299 -10.757 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.955 3.484 -9.010 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.295 3.549 -9.650 1.00 0.00 H new ATOM 0 HD11 ILE A 32 1.662 5.794 -13.376 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.266 5.962 -12.623 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.463 4.374 -12.661 1.00 0.00 H new ATOM 516 N LYS A 33 0.281 4.678 -7.704 1.00 0.00 N ATOM 517 CA LYS A 33 -1.079 4.204 -7.458 1.00 0.00 C ATOM 518 C LYS A 33 -1.550 4.524 -6.043 1.00 0.00 C ATOM 519 O LYS A 33 -2.684 4.213 -5.670 1.00 0.00 O ATOM 520 CB LYS A 33 -1.160 2.693 -7.693 1.00 0.00 C ATOM 521 CG LYS A 33 -0.954 2.280 -9.142 1.00 0.00 C ATOM 522 CD LYS A 33 -2.029 2.865 -10.043 1.00 0.00 C ATOM 523 CE LYS A 33 -1.841 2.444 -11.493 1.00 0.00 C ATOM 524 NZ LYS A 33 -2.884 3.027 -12.373 1.00 0.00 N ATOM 0 H LYS A 33 1.007 4.131 -7.242 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.734 4.725 -8.156 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.410 2.199 -7.075 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.134 2.336 -7.359 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.027 2.612 -9.481 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.966 1.193 -9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.010 2.542 -9.695 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.008 3.953 -9.975 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -0.856 2.758 -11.838 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.872 1.357 -11.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.724 2.718 -13.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.822 2.707 -12.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.838 4.065 -12.325 1.00 0.00 H new ATOM 538 N VAL A 34 -0.688 5.143 -5.253 1.00 0.00 N ATOM 539 CA VAL A 34 -1.031 5.463 -3.878 1.00 0.00 C ATOM 540 C VAL A 34 -1.461 6.920 -3.763 1.00 0.00 C ATOM 541 O VAL A 34 -0.740 7.823 -4.196 1.00 0.00 O ATOM 542 CB VAL A 34 0.148 5.194 -2.919 1.00 0.00 C ATOM 543 CG1 VAL A 34 -0.263 5.457 -1.479 1.00 0.00 C ATOM 544 CG2 VAL A 34 0.652 3.766 -3.077 1.00 0.00 C ATOM 0 H VAL A 34 0.248 5.432 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.859 4.815 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 34 0.959 5.875 -3.175 1.00 0.00 H new ATOM 0 HG11 VAL A 34 0.582 5.262 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.574 6.496 -1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.092 4.802 -1.212 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.483 3.596 -2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.154 3.068 -2.850 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.988 3.610 -4.102 1.00 0.00 H new ATOM 554 N ALA A 35 -2.641 7.142 -3.194 1.00 0.00 N ATOM 555 CA ALA A 35 -3.176 8.489 -3.039 1.00 0.00 C ATOM 556 C ALA A 35 -2.374 9.278 -2.012 1.00 0.00 C ATOM 557 O ALA A 35 -2.061 10.451 -2.224 1.00 0.00 O ATOM 558 CB ALA A 35 -4.641 8.428 -2.634 1.00 0.00 C ATOM 0 H ALA A 35 -3.246 6.405 -2.832 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.096 9.002 -3.998 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.030 9.440 -2.521 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.209 7.904 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.735 7.896 -1.687 1.00 0.00 H new ATOM 564 N ASN A 36 -2.035 8.631 -0.901 1.00 0.00 N ATOM 565 CA ASN A 36 -1.242 9.275 0.145 1.00 0.00 C ATOM 566 C ASN A 36 0.087 8.548 0.350 1.00 0.00 C ATOM 567 O ASN A 36 0.243 7.806 1.320 1.00 0.00 O ATOM 568 CB ASN A 36 -1.995 9.300 1.476 1.00 0.00 C ATOM 569 CG ASN A 36 -3.394 9.870 1.381 1.00 0.00 C ATOM 570 OD1 ASN A 36 -3.685 10.719 0.543 1.00 0.00 O ATOM 571 ND2 ASN A 36 -4.273 9.406 2.258 1.00 0.00 N ATOM 0 H ASN A 36 -2.295 7.665 -0.701 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.054 10.297 -0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.053 8.285 1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -1.423 9.887 2.195 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -5.232 9.755 2.253 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -3.991 8.700 2.938 1.00 0.00 H new ATOM 578 N PRO A 37 1.065 8.737 -0.550 1.00 0.00 N ATOM 579 CA PRO A 37 2.357 8.050 -0.453 1.00 0.00 C ATOM 580 C PRO A 37 3.256 8.649 0.626 1.00 0.00 C ATOM 581 O PRO A 37 4.139 7.981 1.155 1.00 0.00 O ATOM 582 CB PRO A 37 2.967 8.250 -1.838 1.00 0.00 C ATOM 583 CG PRO A 37 2.372 9.519 -2.339 1.00 0.00 C ATOM 584 CD PRO A 37 0.999 9.624 -1.728 1.00 0.00 C ATOM 0 HA PRO A 37 2.244 7.003 -0.171 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.054 8.317 -1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.731 7.415 -2.498 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.988 10.373 -2.057 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.312 9.515 -3.427 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.766 10.650 -1.443 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.226 9.304 -2.426 1.00 0.00 H new ATOM 592 N ASP A 38 3.019 9.910 0.954 1.00 0.00 N ATOM 593 CA ASP A 38 3.805 10.595 1.975 1.00 0.00 C ATOM 594 C ASP A 38 3.291 10.252 3.366 1.00 0.00 C ATOM 595 O ASP A 38 3.955 10.493 4.371 1.00 0.00 O ATOM 596 CB ASP A 38 3.746 12.102 1.751 1.00 0.00 C ATOM 597 CG ASP A 38 4.682 12.876 2.660 1.00 0.00 C ATOM 598 OD1 ASP A 38 5.902 12.600 2.636 1.00 0.00 O ATOM 599 OD2 ASP A 38 4.206 13.785 3.375 1.00 0.00 O ATOM 0 H ASP A 38 2.289 10.482 0.529 1.00 0.00 H new ATOM 0 HA ASP A 38 4.840 10.263 1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 38 3.996 12.319 0.712 1.00 0.00 H new ATOM 0 HB3 ASP A 38 2.725 12.448 1.912 1.00 0.00 H new ATOM 604 N LEU A 39 2.110 9.664 3.407 1.00 0.00 N ATOM 605 CA LEU A 39 1.465 9.325 4.658 1.00 0.00 C ATOM 606 C LEU A 39 1.591 7.835 4.943 1.00 0.00 C ATOM 607 O LEU A 39 1.048 7.331 5.927 1.00 0.00 O ATOM 608 CB LEU A 39 -0.004 9.737 4.602 1.00 0.00 C ATOM 609 CG LEU A 39 -0.251 11.247 4.525 1.00 0.00 C ATOM 610 CD1 LEU A 39 -1.740 11.542 4.481 1.00 0.00 C ATOM 611 CD2 LEU A 39 0.396 11.956 5.706 1.00 0.00 C ATOM 0 H LEU A 39 1.574 9.410 2.577 1.00 0.00 H new ATOM 0 HA LEU A 39 1.957 9.864 5.468 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.466 9.264 3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.509 9.346 5.485 1.00 0.00 H new ATOM 0 HG LEU A 39 0.203 11.622 3.607 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.896 12.619 4.426 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.179 11.067 3.604 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.215 11.152 5.381 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.210 13.028 5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.028 11.576 6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.471 11.773 5.696 1.00 0.00 H new ATOM 623 N ILE A 40 2.312 7.136 4.078 1.00 0.00 N ATOM 624 CA ILE A 40 2.539 5.711 4.246 1.00 0.00 C ATOM 625 C ILE A 40 3.514 5.459 5.394 1.00 0.00 C ATOM 626 O ILE A 40 4.675 5.870 5.343 1.00 0.00 O ATOM 627 CB ILE A 40 3.083 5.079 2.948 1.00 0.00 C ATOM 628 CG1 ILE A 40 2.018 5.115 1.849 1.00 0.00 C ATOM 629 CG2 ILE A 40 3.549 3.650 3.194 1.00 0.00 C ATOM 630 CD1 ILE A 40 2.483 4.518 0.536 1.00 0.00 C ATOM 0 H ILE A 40 2.751 7.537 3.249 1.00 0.00 H new ATOM 0 HA ILE A 40 1.582 5.245 4.481 1.00 0.00 H new ATOM 0 HB ILE A 40 3.942 5.663 2.618 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.135 4.575 2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.715 6.149 1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.928 3.226 2.264 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.341 3.649 3.943 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.712 3.051 3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.678 4.577 -0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.347 5.072 0.170 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.759 3.475 0.688 1.00 0.00 H new ATOM 642 N LYS A 41 3.028 4.801 6.437 1.00 0.00 N ATOM 643 CA LYS A 41 3.848 4.483 7.599 1.00 0.00 C ATOM 644 C LYS A 41 3.896 2.975 7.793 1.00 0.00 C ATOM 645 O LYS A 41 2.977 2.265 7.385 1.00 0.00 O ATOM 646 CB LYS A 41 3.272 5.130 8.860 1.00 0.00 C ATOM 647 CG LYS A 41 2.958 6.611 8.719 1.00 0.00 C ATOM 648 CD LYS A 41 4.215 7.464 8.679 1.00 0.00 C ATOM 649 CE LYS A 41 3.874 8.946 8.676 1.00 0.00 C ATOM 650 NZ LYS A 41 2.962 9.302 9.795 1.00 0.00 N ATOM 0 H LYS A 41 2.064 4.475 6.503 1.00 0.00 H new ATOM 0 HA LYS A 41 4.852 4.871 7.428 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.360 4.603 9.140 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.981 4.998 9.678 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.382 6.773 7.808 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.332 6.929 9.553 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.841 7.234 9.541 1.00 0.00 H new ATOM 0 HD3 LYS A 41 4.795 7.220 7.789 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.791 9.531 8.753 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.407 9.210 7.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.195 10.254 10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.978 9.288 9.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 3.074 8.614 10.567 1.00 0.00 H new ATOM 664 N LYS A 42 4.952 2.486 8.416 1.00 0.00 N ATOM 665 CA LYS A 42 5.072 1.062 8.686 1.00 0.00 C ATOM 666 C LYS A 42 4.079 0.662 9.774 1.00 0.00 C ATOM 667 O LYS A 42 3.968 1.339 10.799 1.00 0.00 O ATOM 668 CB LYS A 42 6.510 0.716 9.089 1.00 0.00 C ATOM 669 CG LYS A 42 6.778 -0.772 9.290 1.00 0.00 C ATOM 670 CD LYS A 42 6.686 -1.169 10.757 1.00 0.00 C ATOM 671 CE LYS A 42 7.143 -2.602 10.981 1.00 0.00 C ATOM 672 NZ LYS A 42 6.257 -3.586 10.304 1.00 0.00 N ATOM 0 H LYS A 42 5.737 3.049 8.744 1.00 0.00 H new ATOM 0 HA LYS A 42 4.837 0.500 7.782 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.188 1.092 8.323 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.750 1.242 10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 42 6.060 -1.352 8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 42 7.769 -1.018 8.908 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.298 -0.494 11.356 1.00 0.00 H new ATOM 0 HD3 LYS A 42 5.658 -1.057 11.101 1.00 0.00 H new ATOM 0 HE2 LYS A 42 8.162 -2.719 10.612 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.166 -2.811 12.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.523 -4.549 10.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 5.269 -3.405 10.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.359 -3.493 9.273 1.00 0.00 H new ATOM 686 N ASP A 43 3.349 -0.423 9.520 1.00 0.00 N ATOM 687 CA ASP A 43 2.326 -0.934 10.436 1.00 0.00 C ATOM 688 C ASP A 43 1.132 0.008 10.527 1.00 0.00 C ATOM 689 O ASP A 43 0.396 -0.001 11.513 1.00 0.00 O ATOM 690 CB ASP A 43 2.905 -1.199 11.830 1.00 0.00 C ATOM 691 CG ASP A 43 3.036 -2.678 12.117 1.00 0.00 C ATOM 692 OD1 ASP A 43 3.956 -3.314 11.563 1.00 0.00 O ATOM 693 OD2 ASP A 43 2.226 -3.214 12.903 1.00 0.00 O ATOM 0 H ASP A 43 3.450 -0.976 8.669 1.00 0.00 H new ATOM 0 HA ASP A 43 1.977 -1.882 10.025 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.883 -0.726 11.912 1.00 0.00 H new ATOM 0 HB3 ASP A 43 2.264 -0.739 12.582 1.00 0.00 H new ATOM 698 N ALA A 44 0.935 0.809 9.488 1.00 0.00 N ATOM 699 CA ALA A 44 -0.238 1.664 9.402 1.00 0.00 C ATOM 700 C ALA A 44 -1.322 0.979 8.579 1.00 0.00 C ATOM 701 O ALA A 44 -1.028 0.090 7.774 1.00 0.00 O ATOM 702 CB ALA A 44 0.121 3.011 8.795 1.00 0.00 C ATOM 0 H ALA A 44 1.572 0.883 8.695 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.617 1.837 10.409 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.771 3.635 8.740 1.00 0.00 H new ATOM 0 HB2 ALA A 44 0.870 3.502 9.417 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.522 2.863 7.793 1.00 0.00 H new ATOM 708 N ALA A 45 -2.568 1.394 8.775 1.00 0.00 N ATOM 709 CA ALA A 45 -3.690 0.780 8.083 1.00 0.00 C ATOM 710 C ALA A 45 -4.045 1.554 6.820 1.00 0.00 C ATOM 711 O ALA A 45 -4.015 2.787 6.804 1.00 0.00 O ATOM 712 CB ALA A 45 -4.893 0.699 9.011 1.00 0.00 C ATOM 0 H ALA A 45 -2.825 2.152 9.407 1.00 0.00 H new ATOM 0 HA ALA A 45 -3.400 -0.228 7.788 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.728 0.238 8.484 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.639 0.099 9.885 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -5.175 1.702 9.330 1.00 0.00 H new ATOM 718 N VAL A 46 -4.362 0.825 5.758 1.00 0.00 N ATOM 719 CA VAL A 46 -4.753 1.434 4.493 1.00 0.00 C ATOM 720 C VAL A 46 -5.937 0.699 3.877 1.00 0.00 C ATOM 721 O VAL A 46 -6.294 -0.404 4.299 1.00 0.00 O ATOM 722 CB VAL A 46 -3.592 1.455 3.474 1.00 0.00 C ATOM 723 CG1 VAL A 46 -2.518 2.447 3.891 1.00 0.00 C ATOM 724 CG2 VAL A 46 -3.001 0.065 3.314 1.00 0.00 C ATOM 0 H VAL A 46 -4.356 -0.195 5.748 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.034 2.462 4.720 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.991 1.776 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.713 2.442 3.156 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.949 3.446 3.950 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.121 2.165 4.866 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.184 0.098 2.593 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.622 -0.282 4.275 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.772 -0.619 2.959 1.00 0.00 H new ATOM 734 N THR A 47 -6.538 1.331 2.885 1.00 0.00 N ATOM 735 CA THR A 47 -7.650 0.761 2.145 1.00 0.00 C ATOM 736 C THR A 47 -7.397 0.904 0.651 1.00 0.00 C ATOM 737 O THR A 47 -6.975 1.966 0.187 1.00 0.00 O ATOM 738 CB THR A 47 -8.978 1.451 2.510 1.00 0.00 C ATOM 739 OG1 THR A 47 -8.777 2.870 2.630 1.00 0.00 O ATOM 740 CG2 THR A 47 -9.544 0.897 3.809 1.00 0.00 C ATOM 0 H THR A 47 -6.266 2.261 2.568 1.00 0.00 H new ATOM 0 HA THR A 47 -7.729 -0.293 2.410 1.00 0.00 H new ATOM 0 HB THR A 47 -9.695 1.252 1.713 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.626 3.302 2.861 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.481 1.402 4.042 1.00 0.00 H new ATOM 0 HG22 THR A 47 -9.725 -0.172 3.700 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.831 1.064 4.617 1.00 0.00 H new ATOM 748 N PHE A 48 -7.643 -0.159 -0.097 1.00 0.00 N ATOM 749 CA PHE A 48 -7.338 -0.174 -1.522 1.00 0.00 C ATOM 750 C PHE A 48 -8.189 -1.191 -2.262 1.00 0.00 C ATOM 751 O PHE A 48 -8.797 -2.072 -1.653 1.00 0.00 O ATOM 752 CB PHE A 48 -5.854 -0.494 -1.739 1.00 0.00 C ATOM 753 CG PHE A 48 -5.350 -1.628 -0.881 1.00 0.00 C ATOM 754 CD1 PHE A 48 -5.623 -2.946 -1.212 1.00 0.00 C ATOM 755 CD2 PHE A 48 -4.609 -1.372 0.262 1.00 0.00 C ATOM 756 CE1 PHE A 48 -5.167 -3.985 -0.424 1.00 0.00 C ATOM 757 CE2 PHE A 48 -4.152 -2.407 1.055 1.00 0.00 C ATOM 758 CZ PHE A 48 -4.431 -3.715 0.710 1.00 0.00 C ATOM 0 H PHE A 48 -8.053 -1.023 0.257 1.00 0.00 H new ATOM 0 HA PHE A 48 -7.564 0.815 -1.920 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -5.694 -0.744 -2.788 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -5.264 0.399 -1.531 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.200 -3.164 -2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.386 -0.351 0.536 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -5.387 -5.007 -0.696 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.577 -2.193 1.944 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.073 -4.525 1.328 1.00 0.00 H new ATOM 768 N GLU A 49 -8.218 -1.067 -3.578 1.00 0.00 N ATOM 769 CA GLU A 49 -8.926 -2.018 -4.411 1.00 0.00 C ATOM 770 C GLU A 49 -7.925 -2.825 -5.232 1.00 0.00 C ATOM 771 O GLU A 49 -6.892 -2.299 -5.655 1.00 0.00 O ATOM 772 CB GLU A 49 -9.925 -1.294 -5.313 1.00 0.00 C ATOM 773 CG GLU A 49 -10.976 -0.521 -4.530 1.00 0.00 C ATOM 774 CD GLU A 49 -12.078 0.032 -5.402 1.00 0.00 C ATOM 775 OE1 GLU A 49 -11.935 1.163 -5.908 1.00 0.00 O ATOM 776 OE2 GLU A 49 -13.106 -0.656 -5.578 1.00 0.00 O ATOM 0 H GLU A 49 -7.758 -0.315 -4.091 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.488 -2.705 -3.778 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.386 -0.607 -5.965 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.420 -2.022 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.412 -1.175 -3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -10.494 0.300 -4.000 1.00 0.00 H new ATOM 783 N PRO A 50 -8.212 -4.115 -5.455 1.00 0.00 N ATOM 784 CA PRO A 50 -7.269 -5.038 -6.085 1.00 0.00 C ATOM 785 C PRO A 50 -7.131 -4.848 -7.592 1.00 0.00 C ATOM 786 O PRO A 50 -8.080 -4.473 -8.285 1.00 0.00 O ATOM 787 CB PRO A 50 -7.868 -6.408 -5.777 1.00 0.00 C ATOM 788 CG PRO A 50 -9.333 -6.166 -5.664 1.00 0.00 C ATOM 789 CD PRO A 50 -9.485 -4.775 -5.111 1.00 0.00 C ATOM 0 HA PRO A 50 -6.258 -4.887 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -7.645 -7.124 -6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -7.462 -6.818 -4.852 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.819 -6.254 -6.636 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -9.800 -6.900 -5.007 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -10.336 -4.259 -5.556 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -9.649 -4.789 -4.034 1.00 0.00 H new ATOM 797 N THR A 51 -5.927 -5.106 -8.080 1.00 0.00 N ATOM 798 CA THR A 51 -5.641 -5.098 -9.499 1.00 0.00 C ATOM 799 C THR A 51 -4.447 -6.013 -9.764 1.00 0.00 C ATOM 800 O THR A 51 -3.501 -6.061 -8.976 1.00 0.00 O ATOM 801 CB THR A 51 -5.357 -3.667 -10.022 1.00 0.00 C ATOM 802 OG1 THR A 51 -5.264 -3.670 -11.452 1.00 0.00 O ATOM 803 CG2 THR A 51 -4.074 -3.096 -9.434 1.00 0.00 C ATOM 0 H THR A 51 -5.120 -5.327 -7.497 1.00 0.00 H new ATOM 0 HA THR A 51 -6.517 -5.462 -10.035 1.00 0.00 H new ATOM 0 HB THR A 51 -6.188 -3.036 -9.707 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.086 -2.760 -11.770 1.00 0.00 H new ATOM 0 HG21 THR A 51 -3.910 -2.092 -9.825 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.159 -3.053 -8.348 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.233 -3.734 -9.707 1.00 0.00 H new ATOM 811 N THR A 52 -4.496 -6.770 -10.839 1.00 0.00 N ATOM 812 CA THR A 52 -3.434 -7.713 -11.127 1.00 0.00 C ATOM 813 C THR A 52 -2.326 -7.072 -11.955 1.00 0.00 C ATOM 814 O THR A 52 -2.576 -6.476 -13.007 1.00 0.00 O ATOM 815 CB THR A 52 -3.984 -8.957 -11.845 1.00 0.00 C ATOM 816 OG1 THR A 52 -5.019 -8.572 -12.760 1.00 0.00 O ATOM 817 CG2 THR A 52 -4.533 -9.962 -10.841 1.00 0.00 C ATOM 0 H THR A 52 -5.252 -6.753 -11.523 1.00 0.00 H new ATOM 0 HA THR A 52 -3.006 -8.022 -10.173 1.00 0.00 H new ATOM 0 HB THR A 52 -3.168 -9.427 -12.394 1.00 0.00 H new ATOM 0 HG1 THR A 52 -5.365 -9.367 -13.216 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.917 -10.834 -11.371 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.737 -10.271 -10.163 1.00 0.00 H new ATOM 0 HG23 THR A 52 -5.339 -9.502 -10.269 1.00 0.00 H new ATOM 825 N ASN A 53 -1.105 -7.192 -11.459 1.00 0.00 N ATOM 826 CA ASN A 53 0.060 -6.630 -12.119 1.00 0.00 C ATOM 827 C ASN A 53 0.608 -7.621 -13.140 1.00 0.00 C ATOM 828 O ASN A 53 0.203 -8.788 -13.162 1.00 0.00 O ATOM 829 CB ASN A 53 1.128 -6.296 -11.077 1.00 0.00 C ATOM 830 CG ASN A 53 2.238 -5.449 -11.652 1.00 0.00 C ATOM 831 OD1 ASN A 53 3.285 -5.959 -12.047 1.00 0.00 O ATOM 832 ND2 ASN A 53 2.003 -4.151 -11.720 1.00 0.00 N ATOM 0 H ASN A 53 -0.895 -7.681 -10.589 1.00 0.00 H new ATOM 0 HA ASN A 53 -0.225 -5.716 -12.640 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.667 -5.769 -10.242 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.547 -7.220 -10.679 1.00 0.00 H new ATOM 0 HD21 ASN A 53 2.706 -3.525 -12.113 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.119 -3.774 -11.379 1.00 0.00 H new ATOM 839 N ASN A 54 1.509 -7.151 -13.992 1.00 0.00 N ATOM 840 CA ASN A 54 2.181 -8.002 -14.965 1.00 0.00 C ATOM 841 C ASN A 54 2.845 -9.189 -14.271 1.00 0.00 C ATOM 842 O ASN A 54 2.892 -10.293 -14.808 1.00 0.00 O ATOM 843 CB ASN A 54 3.231 -7.195 -15.728 1.00 0.00 C ATOM 844 CG ASN A 54 3.837 -7.964 -16.888 1.00 0.00 C ATOM 845 OD1 ASN A 54 4.819 -8.693 -16.731 1.00 0.00 O ATOM 846 ND2 ASN A 54 3.261 -7.794 -18.068 1.00 0.00 N ATOM 0 H ASN A 54 1.794 -6.172 -14.028 1.00 0.00 H new ATOM 0 HA ASN A 54 1.437 -8.379 -15.667 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.776 -6.279 -16.104 1.00 0.00 H new ATOM 0 HB3 ASN A 54 4.024 -6.898 -15.041 1.00 0.00 H new ATOM 0 HD21 ASN A 54 3.628 -8.275 -18.889 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.450 -7.182 -18.156 1.00 0.00 H new ATOM 853 N LYS A 55 3.341 -8.954 -13.063 1.00 0.00 N ATOM 854 CA LYS A 55 4.026 -9.994 -12.309 1.00 0.00 C ATOM 855 C LYS A 55 3.126 -10.635 -11.253 1.00 0.00 C ATOM 856 O LYS A 55 2.920 -11.850 -11.265 1.00 0.00 O ATOM 857 CB LYS A 55 5.286 -9.431 -11.654 1.00 0.00 C ATOM 858 CG LYS A 55 6.397 -10.456 -11.526 1.00 0.00 C ATOM 859 CD LYS A 55 7.673 -9.840 -10.980 1.00 0.00 C ATOM 860 CE LYS A 55 8.730 -10.900 -10.715 1.00 0.00 C ATOM 861 NZ LYS A 55 9.006 -11.729 -11.919 1.00 0.00 N ATOM 0 H LYS A 55 3.282 -8.054 -12.586 1.00 0.00 H new ATOM 0 HA LYS A 55 4.302 -10.775 -13.017 1.00 0.00 H new ATOM 0 HB2 LYS A 55 5.646 -8.585 -12.239 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.035 -9.050 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.073 -11.263 -10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.596 -10.900 -12.501 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.059 -9.109 -11.690 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.454 -9.303 -10.057 1.00 0.00 H new ATOM 0 HE2 LYS A 55 9.652 -10.418 -10.388 1.00 0.00 H new ATOM 0 HE3 LYS A 55 8.400 -11.544 -9.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.844 -12.321 -11.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.186 -12.338 -12.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 9.181 -11.108 -12.735 1.00 0.00 H new ATOM 875 N GLY A 56 2.588 -9.832 -10.342 1.00 0.00 N ATOM 876 CA GLY A 56 1.864 -10.391 -9.213 1.00 0.00 C ATOM 877 C GLY A 56 0.680 -9.553 -8.781 1.00 0.00 C ATOM 878 O GLY A 56 0.046 -8.889 -9.598 1.00 0.00 O ATOM 0 H GLY A 56 2.638 -8.813 -10.363 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.516 -11.391 -9.474 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.548 -10.501 -8.371 1.00 0.00 H new ATOM 882 N LEU A 57 0.388 -9.581 -7.485 1.00 0.00 N ATOM 883 CA LEU A 57 -0.757 -8.878 -6.935 1.00 0.00 C ATOM 884 C LEU A 57 -0.418 -7.424 -6.641 1.00 0.00 C ATOM 885 O LEU A 57 0.677 -7.110 -6.172 1.00 0.00 O ATOM 886 CB LEU A 57 -1.232 -9.572 -5.656 1.00 0.00 C ATOM 887 CG LEU A 57 -1.731 -11.006 -5.836 1.00 0.00 C ATOM 888 CD1 LEU A 57 -2.134 -11.596 -4.492 1.00 0.00 C ATOM 889 CD2 LEU A 57 -2.902 -11.045 -6.809 1.00 0.00 C ATOM 0 H LEU A 57 0.937 -10.090 -6.792 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.556 -8.898 -7.676 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.411 -9.578 -4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.034 -8.978 -5.217 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.921 -11.607 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.487 -12.617 -4.634 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.273 -11.600 -3.823 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.930 -10.994 -4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -3.244 -12.073 -6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -3.717 -10.433 -6.422 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.584 -10.657 -7.777 1.00 0.00 H new ATOM 901 N SER A 58 -1.367 -6.547 -6.918 1.00 0.00 N ATOM 902 CA SER A 58 -1.188 -5.125 -6.700 1.00 0.00 C ATOM 903 C SER A 58 -2.514 -4.456 -6.358 1.00 0.00 C ATOM 904 O SER A 58 -3.577 -5.077 -6.445 1.00 0.00 O ATOM 905 CB SER A 58 -0.554 -4.468 -7.928 1.00 0.00 C ATOM 906 OG SER A 58 -0.992 -5.082 -9.127 1.00 0.00 O ATOM 0 H SER A 58 -2.279 -6.800 -7.299 1.00 0.00 H new ATOM 0 HA SER A 58 -0.515 -4.994 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.807 -3.408 -7.947 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.532 -4.535 -7.859 1.00 0.00 H new ATOM 0 HG SER A 58 -1.927 -5.360 -9.030 1.00 0.00 H new ATOM 912 N ALA A 59 -2.441 -3.213 -5.920 1.00 0.00 N ATOM 913 CA ALA A 59 -3.637 -2.455 -5.590 1.00 0.00 C ATOM 914 C ALA A 59 -3.529 -1.018 -6.083 1.00 0.00 C ATOM 915 O ALA A 59 -2.426 -0.476 -6.203 1.00 0.00 O ATOM 916 CB ALA A 59 -3.883 -2.490 -4.092 1.00 0.00 C ATOM 0 H ALA A 59 -1.567 -2.705 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.485 -2.918 -6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -4.781 -1.919 -3.857 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.015 -3.523 -3.769 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.030 -2.054 -3.573 1.00 0.00 H new ATOM 922 N TYR A 60 -4.671 -0.410 -6.369 1.00 0.00 N ATOM 923 CA TYR A 60 -4.703 0.967 -6.839 1.00 0.00 C ATOM 924 C TYR A 60 -5.596 1.810 -5.953 1.00 0.00 C ATOM 925 O TYR A 60 -6.299 1.277 -5.087 1.00 0.00 O ATOM 926 CB TYR A 60 -5.195 1.055 -8.287 1.00 0.00 C ATOM 927 CG TYR A 60 -6.590 0.509 -8.510 1.00 0.00 C ATOM 928 CD1 TYR A 60 -6.794 -0.828 -8.822 1.00 0.00 C ATOM 929 CD2 TYR A 60 -7.704 1.334 -8.409 1.00 0.00 C ATOM 930 CE1 TYR A 60 -8.066 -1.327 -9.026 1.00 0.00 C ATOM 931 CE2 TYR A 60 -8.978 0.841 -8.610 1.00 0.00 C ATOM 932 CZ TYR A 60 -9.154 -0.489 -8.918 1.00 0.00 C ATOM 933 OH TYR A 60 -10.423 -0.984 -9.118 1.00 0.00 O ATOM 0 H TYR A 60 -5.588 -0.849 -6.284 1.00 0.00 H new ATOM 0 HA TYR A 60 -3.683 1.348 -6.796 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -5.172 2.098 -8.603 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -4.499 0.513 -8.927 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -5.944 -1.489 -8.907 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -7.571 2.379 -8.169 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -8.207 -2.370 -9.269 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -9.833 1.496 -8.526 1.00 0.00 H new ATOM 0 HH TYR A 60 -11.077 -0.263 -9.004 1.00 0.00 H new ATOM 943 N ALA A 61 -5.580 3.116 -6.208 1.00 0.00 N ATOM 944 CA ALA A 61 -6.346 4.088 -5.427 1.00 0.00 C ATOM 945 C ALA A 61 -6.188 3.828 -3.932 1.00 0.00 C ATOM 946 O ALA A 61 -7.171 3.710 -3.200 1.00 0.00 O ATOM 947 CB ALA A 61 -7.816 4.055 -5.828 1.00 0.00 C ATOM 0 H ALA A 61 -5.035 3.532 -6.963 1.00 0.00 H new ATOM 0 HA ALA A 61 -5.954 5.083 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.371 4.784 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.910 4.298 -6.886 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -8.220 3.059 -5.648 1.00 0.00 H new ATOM 953 N VAL A 62 -4.945 3.734 -3.491 1.00 0.00 N ATOM 954 CA VAL A 62 -4.649 3.370 -2.112 1.00 0.00 C ATOM 955 C VAL A 62 -4.879 4.542 -1.166 1.00 0.00 C ATOM 956 O VAL A 62 -4.150 5.537 -1.202 1.00 0.00 O ATOM 957 CB VAL A 62 -3.195 2.883 -1.968 1.00 0.00 C ATOM 958 CG1 VAL A 62 -2.950 2.307 -0.580 1.00 0.00 C ATOM 959 CG2 VAL A 62 -2.873 1.865 -3.049 1.00 0.00 C ATOM 0 H VAL A 62 -4.121 3.905 -4.068 1.00 0.00 H new ATOM 0 HA VAL A 62 -5.328 2.561 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.529 3.737 -2.092 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.916 1.970 -0.503 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.138 3.074 0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.620 1.464 -0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.842 1.528 -2.936 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.545 1.012 -2.957 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.000 2.323 -4.030 1.00 0.00 H new ATOM 969 N LYS A 63 -5.895 4.422 -0.321 1.00 0.00 N ATOM 970 CA LYS A 63 -6.191 5.441 0.662 1.00 0.00 C ATOM 971 C LYS A 63 -5.588 5.065 2.005 1.00 0.00 C ATOM 972 O LYS A 63 -5.918 4.021 2.573 1.00 0.00 O ATOM 973 CB LYS A 63 -7.701 5.629 0.847 1.00 0.00 C ATOM 974 CG LYS A 63 -8.449 6.183 -0.357 1.00 0.00 C ATOM 975 CD LYS A 63 -9.005 5.075 -1.240 1.00 0.00 C ATOM 976 CE LYS A 63 -9.917 4.120 -0.468 1.00 0.00 C ATOM 977 NZ LYS A 63 -11.100 4.813 0.119 1.00 0.00 N ATOM 0 H LYS A 63 -6.528 3.622 -0.302 1.00 0.00 H new ATOM 0 HA LYS A 63 -5.760 6.373 0.297 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -8.139 4.667 1.112 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -7.865 6.297 1.692 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -9.266 6.819 -0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.779 6.812 -0.943 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -9.562 5.517 -2.066 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.180 4.512 -1.676 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -10.257 3.328 -1.135 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -9.347 3.642 0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -11.713 4.116 0.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.780 5.517 0.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -11.633 5.290 -0.636 1.00 0.00 H new ATOM 991 N VAL A 64 -4.695 5.902 2.495 1.00 0.00 N ATOM 992 CA VAL A 64 -4.191 5.761 3.848 1.00 0.00 C ATOM 993 C VAL A 64 -5.302 6.131 4.824 1.00 0.00 C ATOM 994 O VAL A 64 -6.145 6.967 4.504 1.00 0.00 O ATOM 995 CB VAL A 64 -2.946 6.652 4.074 1.00 0.00 C ATOM 996 CG1 VAL A 64 -2.473 6.583 5.518 1.00 0.00 C ATOM 997 CG2 VAL A 64 -1.831 6.228 3.135 1.00 0.00 C ATOM 0 H VAL A 64 -4.303 6.688 1.976 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.884 4.728 4.013 1.00 0.00 H new ATOM 0 HB VAL A 64 -3.222 7.685 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.597 7.219 5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.269 6.926 6.179 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.213 5.554 5.767 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.958 6.859 3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -1.569 5.188 3.328 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -2.165 6.332 2.103 1.00 0.00 H new ATOM 1007 N VAL A 65 -5.311 5.497 5.988 1.00 0.00 N ATOM 1008 CA VAL A 65 -6.369 5.692 6.972 1.00 0.00 C ATOM 1009 C VAL A 65 -5.891 6.584 8.119 1.00 0.00 C ATOM 1010 O VAL A 65 -5.319 6.099 9.097 1.00 0.00 O ATOM 1011 CB VAL A 65 -6.866 4.342 7.533 1.00 0.00 C ATOM 1012 CG1 VAL A 65 -7.946 4.545 8.583 1.00 0.00 C ATOM 1013 CG2 VAL A 65 -7.373 3.454 6.407 1.00 0.00 C ATOM 0 H VAL A 65 -4.590 4.836 6.277 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.199 6.184 6.464 1.00 0.00 H new ATOM 0 HB VAL A 65 -6.023 3.847 8.015 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.275 3.576 8.958 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.546 5.137 9.407 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.792 5.068 8.138 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -7.720 2.506 6.819 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -8.197 3.950 5.895 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.566 3.268 5.699 1.00 0.00 H new ATOM 1023 N PRO A 66 -6.064 7.910 7.983 1.00 0.00 N ATOM 1024 CA PRO A 66 -5.627 8.862 8.999 1.00 0.00 C ATOM 1025 C PRO A 66 -6.463 8.763 10.267 1.00 0.00 C ATOM 1026 O PRO A 66 -7.694 8.688 10.214 1.00 0.00 O ATOM 1027 CB PRO A 66 -5.825 10.223 8.332 1.00 0.00 C ATOM 1028 CG PRO A 66 -6.899 9.998 7.325 1.00 0.00 C ATOM 1029 CD PRO A 66 -6.733 8.581 6.851 1.00 0.00 C ATOM 0 HA PRO A 66 -4.599 8.680 9.314 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.116 10.981 9.059 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.906 10.570 7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.885 10.149 7.765 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.809 10.700 6.496 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.694 8.120 6.623 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -6.132 8.530 5.943 1.00 0.00 H new