USER MOD reduce.3.24.130724 H: found=0, std=0, add=473, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 473 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 48 THR OG1 : rot 180:sc= -1.74! USER MOD Set 1.2: A 64 GLN : amide:sc= -1.01! K(o=-2.8!,f=-2) USER MOD Set 2.1: A 34 GLN : amide:sc= -2.14! C(o=0.33!,f=-12!) USER MOD Set 2.2: A 65 LYS NZ :NH3+ 170:sc= 2.47 (180deg=1.08) USER MOD Single : A 1 MET CE :methyl -143:sc= -0.122 (180deg=-0.615) USER MOD Single : A 1 MET N :NH3+ 171:sc= -1.02! (180deg=-1.36!) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 179:sc= 2.32 (180deg=2.29) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ -169:sc= -0.0093 (180deg=-0.133) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0.14) USER MOD Single : A 29 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.063) USER MOD Single : A 31 SER OG : rot -32:sc= 0.0135 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= 0.496 K(o=0.5,f=-0.7) USER MOD Single : A 55 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 ASN : amide:sc= -0.0206 K(o=-0.021,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.182 -3.657 -1.765 1.00 4.34 N ATOM 2 CA MET A 1 -1.908 -2.204 -1.662 1.00 31.20 C ATOM 3 C MET A 1 -0.629 -1.825 -2.415 1.00 24.12 C ATOM 4 O MET A 1 0.062 -0.877 -2.043 1.00 62.15 O ATOM 5 CB MET A 1 -1.794 -1.797 -0.186 1.00 71.04 C ATOM 6 CG MET A 1 -0.669 -2.496 0.567 1.00 2.01 C ATOM 7 SD MET A 1 -0.586 -2.024 2.309 1.00 34.44 S ATOM 8 CE MET A 1 -0.302 -0.260 2.175 1.00 12.41 C ATOM 0 H1 MET A 1 -2.962 -3.909 -1.125 1.00 4.34 H new ATOM 0 H2 MET A 1 -2.447 -3.892 -2.743 1.00 4.34 H new ATOM 0 H3 MET A 1 -1.330 -4.191 -1.499 1.00 4.34 H new ATOM 0 HA MET A 1 -2.739 -1.668 -2.121 1.00 31.20 H new ATOM 0 HB2 MET A 1 -1.641 -0.719 -0.128 1.00 71.04 H new ATOM 0 HB3 MET A 1 -2.739 -2.012 0.313 1.00 71.04 H new ATOM 0 HG2 MET A 1 -0.806 -3.575 0.495 1.00 2.01 H new ATOM 0 HG3 MET A 1 0.282 -2.263 0.087 1.00 2.01 H new ATOM 0 HE1 MET A 1 0.379 0.060 2.964 1.00 12.41 H new ATOM 0 HE2 MET A 1 0.137 -0.035 1.203 1.00 12.41 H new ATOM 0 HE3 MET A 1 -1.249 0.270 2.277 1.00 12.41 H new ATOM 20 N GLU A 2 -0.335 -2.536 -3.499 1.00 54.35 N ATOM 21 CA GLU A 2 0.909 -2.321 -4.227 1.00 35.41 C ATOM 22 C GLU A 2 0.660 -1.574 -5.534 1.00 73.13 C ATOM 23 O GLU A 2 -0.479 -1.455 -5.991 1.00 53.40 O ATOM 24 CB GLU A 2 1.609 -3.650 -4.542 1.00 73.51 C ATOM 25 CG GLU A 2 1.832 -4.560 -3.343 1.00 52.00 C ATOM 26 CD GLU A 2 0.580 -5.311 -2.947 1.00 15.31 C ATOM 27 OE1 GLU A 2 0.128 -6.167 -3.731 1.00 41.24 O ATOM 28 OE2 GLU A 2 0.037 -5.039 -1.857 1.00 3.53 O ATOM 0 H GLU A 2 -0.937 -3.261 -3.890 1.00 54.35 H new ATOM 0 HA GLU A 2 1.551 -1.721 -3.583 1.00 35.41 H new ATOM 0 HB2 GLU A 2 1.017 -4.188 -5.282 1.00 73.51 H new ATOM 0 HB3 GLU A 2 2.574 -3.435 -5.000 1.00 73.51 H new ATOM 0 HG2 GLU A 2 2.622 -5.274 -3.574 1.00 52.00 H new ATOM 0 HG3 GLU A 2 2.178 -3.965 -2.498 1.00 52.00 H new ATOM 35 N GLN A 3 1.737 -1.072 -6.122 1.00 20.33 N ATOM 36 CA GLN A 3 1.685 -0.457 -7.439 1.00 73.11 C ATOM 37 C GLN A 3 2.137 -1.473 -8.480 1.00 44.31 C ATOM 38 O GLN A 3 3.309 -1.854 -8.517 1.00 61.23 O ATOM 39 CB GLN A 3 2.591 0.774 -7.500 1.00 10.11 C ATOM 40 CG GLN A 3 2.315 1.805 -6.415 1.00 14.15 C ATOM 41 CD GLN A 3 3.178 3.042 -6.567 1.00 50.14 C ATOM 42 OE1 GLN A 3 3.544 3.420 -7.678 1.00 44.50 O ATOM 43 NE2 GLN A 3 3.514 3.680 -5.457 1.00 42.05 N ATOM 0 H GLN A 3 2.666 -1.080 -5.701 1.00 20.33 H new ATOM 0 HA GLN A 3 0.661 -0.141 -7.641 1.00 73.11 H new ATOM 0 HB2 GLN A 3 3.629 0.451 -7.424 1.00 10.11 H new ATOM 0 HB3 GLN A 3 2.476 1.248 -8.474 1.00 10.11 H new ATOM 0 HG2 GLN A 3 1.264 2.091 -6.447 1.00 14.15 H new ATOM 0 HG3 GLN A 3 2.494 1.358 -5.437 1.00 14.15 H new ATOM 0 HE21 GLN A 3 3.191 3.336 -4.553 1.00 42.05 H new ATOM 0 HE22 GLN A 3 4.096 4.516 -5.506 1.00 42.05 H new ATOM 52 N GLY A 4 1.217 -1.918 -9.315 1.00 71.11 N ATOM 53 CA GLY A 4 1.536 -2.975 -10.250 1.00 2.21 C ATOM 54 C GLY A 4 1.309 -2.578 -11.688 1.00 62.21 C ATOM 55 O GLY A 4 0.609 -1.605 -11.970 1.00 44.35 O ATOM 0 H GLY A 4 0.259 -1.570 -9.364 1.00 71.11 H new ATOM 0 HA2 GLY A 4 2.578 -3.266 -10.119 1.00 2.21 H new ATOM 0 HA3 GLY A 4 0.929 -3.851 -10.020 1.00 2.21 H new ATOM 59 N THR A 5 1.906 -3.331 -12.595 1.00 41.20 N ATOM 60 CA THR A 5 1.743 -3.096 -14.017 1.00 0.24 C ATOM 61 C THR A 5 0.690 -4.045 -14.587 1.00 55.40 C ATOM 62 O THR A 5 0.717 -5.250 -14.317 1.00 22.04 O ATOM 63 CB THR A 5 3.079 -3.297 -14.759 1.00 61.12 C ATOM 64 OG1 THR A 5 4.132 -2.633 -14.049 1.00 24.02 O ATOM 65 CG2 THR A 5 3.006 -2.752 -16.177 1.00 64.12 C ATOM 0 H THR A 5 2.514 -4.118 -12.368 1.00 41.20 H new ATOM 0 HA THR A 5 1.416 -2.066 -14.159 1.00 0.24 H new ATOM 0 HB THR A 5 3.281 -4.367 -14.809 1.00 61.12 H new ATOM 0 HG1 THR A 5 4.980 -2.765 -14.523 1.00 24.02 H new ATOM 0 HG21 THR A 5 3.962 -2.908 -16.676 1.00 64.12 H new ATOM 0 HG22 THR A 5 2.221 -3.272 -16.727 1.00 64.12 H new ATOM 0 HG23 THR A 5 2.782 -1.686 -16.146 1.00 64.12 H new ATOM 73 N VAL A 6 -0.254 -3.500 -15.342 1.00 5.34 N ATOM 74 CA VAL A 6 -1.303 -4.307 -15.951 1.00 3.41 C ATOM 75 C VAL A 6 -0.732 -5.179 -17.063 1.00 50.22 C ATOM 76 O VAL A 6 -0.184 -4.668 -18.041 1.00 54.12 O ATOM 77 CB VAL A 6 -2.436 -3.426 -16.524 1.00 24.11 C ATOM 78 CG1 VAL A 6 -3.528 -4.283 -17.151 1.00 72.14 C ATOM 79 CG2 VAL A 6 -3.015 -2.533 -15.438 1.00 20.23 C ATOM 0 H VAL A 6 -0.315 -2.503 -15.548 1.00 5.34 H new ATOM 0 HA VAL A 6 -1.718 -4.941 -15.167 1.00 3.41 H new ATOM 0 HB VAL A 6 -2.013 -2.794 -17.305 1.00 24.11 H new ATOM 0 HG11 VAL A 6 -4.313 -3.639 -17.547 1.00 72.14 H new ATOM 0 HG12 VAL A 6 -3.104 -4.878 -17.960 1.00 72.14 H new ATOM 0 HG13 VAL A 6 -3.949 -4.946 -16.395 1.00 72.14 H new ATOM 0 HG21 VAL A 6 -3.812 -1.919 -15.858 1.00 20.23 H new ATOM 0 HG22 VAL A 6 -3.418 -3.151 -14.635 1.00 20.23 H new ATOM 0 HG23 VAL A 6 -2.231 -1.888 -15.041 1.00 20.23 H new ATOM 89 N LYS A 7 -0.845 -6.491 -16.895 1.00 31.32 N ATOM 90 CA LYS A 7 -0.408 -7.438 -17.912 1.00 11.33 C ATOM 91 C LYS A 7 -1.345 -7.381 -19.104 1.00 73.22 C ATOM 92 O LYS A 7 -0.995 -6.871 -20.166 1.00 33.22 O ATOM 93 CB LYS A 7 -0.401 -8.868 -17.359 1.00 43.03 C ATOM 94 CG LYS A 7 0.549 -9.099 -16.201 1.00 44.13 C ATOM 95 CD LYS A 7 2.001 -9.022 -16.636 1.00 71.33 C ATOM 96 CE LYS A 7 2.910 -9.625 -15.585 1.00 33.44 C ATOM 97 NZ LYS A 7 4.346 -9.478 -15.923 1.00 54.34 N ATOM 0 H LYS A 7 -1.238 -6.924 -16.059 1.00 31.32 H new ATOM 0 HA LYS A 7 0.603 -7.167 -18.215 1.00 11.33 H new ATOM 0 HB2 LYS A 7 -1.411 -9.123 -17.038 1.00 43.03 H new ATOM 0 HB3 LYS A 7 -0.141 -9.553 -18.166 1.00 43.03 H new ATOM 0 HG2 LYS A 7 0.363 -8.357 -15.425 1.00 44.13 H new ATOM 0 HG3 LYS A 7 0.353 -10.077 -15.760 1.00 44.13 H new ATOM 0 HD2 LYS A 7 2.131 -9.549 -17.581 1.00 71.33 H new ATOM 0 HD3 LYS A 7 2.279 -7.982 -16.810 1.00 71.33 H new ATOM 0 HE2 LYS A 7 2.716 -9.148 -14.624 1.00 33.44 H new ATOM 0 HE3 LYS A 7 2.674 -10.683 -15.469 1.00 33.44 H new ATOM 0 HZ1 LYS A 7 4.925 -9.891 -15.165 1.00 54.34 H new ATOM 0 HZ2 LYS A 7 4.544 -9.970 -16.818 1.00 54.34 H new ATOM 0 HZ3 LYS A 7 4.577 -8.469 -16.024 1.00 54.34 H new ATOM 111 N TRP A 8 -2.541 -7.920 -18.902 1.00 12.35 N ATOM 112 CA TRP A 8 -3.584 -7.934 -19.913 1.00 13.25 C ATOM 113 C TRP A 8 -4.932 -7.749 -19.236 1.00 63.15 C ATOM 114 O TRP A 8 -5.258 -8.468 -18.285 1.00 52.24 O ATOM 115 CB TRP A 8 -3.581 -9.256 -20.693 1.00 34.25 C ATOM 116 CG TRP A 8 -2.345 -9.477 -21.512 1.00 1.31 C ATOM 117 CD1 TRP A 8 -2.091 -8.980 -22.756 1.00 34.21 C ATOM 118 CD2 TRP A 8 -1.204 -10.263 -21.151 1.00 31.21 C ATOM 119 NE1 TRP A 8 -0.858 -9.399 -23.188 1.00 71.22 N ATOM 120 CE2 TRP A 8 -0.293 -10.187 -22.220 1.00 63.12 C ATOM 121 CE3 TRP A 8 -0.863 -11.020 -20.028 1.00 32.10 C ATOM 122 CZ2 TRP A 8 0.936 -10.838 -22.197 1.00 74.44 C ATOM 123 CZ3 TRP A 8 0.358 -11.663 -20.006 1.00 53.33 C ATOM 124 CH2 TRP A 8 1.245 -11.569 -21.084 1.00 41.40 C ATOM 0 H TRP A 8 -2.814 -8.362 -18.024 1.00 12.35 H new ATOM 0 HA TRP A 8 -3.398 -7.123 -20.617 1.00 13.25 H new ATOM 0 HB2 TRP A 8 -3.691 -10.081 -19.990 1.00 34.25 H new ATOM 0 HB3 TRP A 8 -4.450 -9.280 -21.351 1.00 34.25 H new ATOM 0 HD1 TRP A 8 -2.762 -8.349 -23.319 1.00 34.21 H new ATOM 0 HE1 TRP A 8 -0.431 -9.162 -24.084 1.00 71.22 H new ATOM 0 HE3 TRP A 8 -1.542 -11.101 -19.192 1.00 32.10 H new ATOM 0 HZ2 TRP A 8 1.622 -10.768 -23.029 1.00 74.44 H new ATOM 0 HZ3 TRP A 8 0.634 -12.249 -19.142 1.00 53.33 H new ATOM 0 HH2 TRP A 8 2.193 -12.084 -21.036 1.00 41.40 H new ATOM 135 N PHE A 9 -5.707 -6.783 -19.699 1.00 51.53 N ATOM 136 CA PHE A 9 -7.017 -6.539 -19.120 1.00 34.22 C ATOM 137 C PHE A 9 -8.110 -7.036 -20.055 1.00 61.41 C ATOM 138 O PHE A 9 -8.432 -6.398 -21.056 1.00 44.34 O ATOM 139 CB PHE A 9 -7.211 -5.052 -18.808 1.00 1.24 C ATOM 140 CG PHE A 9 -8.518 -4.742 -18.132 1.00 60.34 C ATOM 141 CD1 PHE A 9 -8.808 -5.270 -16.884 1.00 53.34 C ATOM 142 CD2 PHE A 9 -9.458 -3.932 -18.748 1.00 71.11 C ATOM 143 CE1 PHE A 9 -10.011 -4.993 -16.263 1.00 54.33 C ATOM 144 CE2 PHE A 9 -10.663 -3.652 -18.132 1.00 33.11 C ATOM 145 CZ PHE A 9 -10.940 -4.184 -16.888 1.00 53.32 C ATOM 0 H PHE A 9 -5.455 -6.160 -20.467 1.00 51.53 H new ATOM 0 HA PHE A 9 -7.083 -7.091 -18.182 1.00 34.22 H new ATOM 0 HB2 PHE A 9 -6.394 -4.714 -18.171 1.00 1.24 H new ATOM 0 HB3 PHE A 9 -7.148 -4.484 -19.736 1.00 1.24 H new ATOM 0 HD1 PHE A 9 -8.086 -5.905 -16.392 1.00 53.34 H new ATOM 0 HD2 PHE A 9 -9.247 -3.514 -19.721 1.00 71.11 H new ATOM 0 HE1 PHE A 9 -10.225 -5.409 -15.289 1.00 54.33 H new ATOM 0 HE2 PHE A 9 -11.387 -3.018 -18.623 1.00 33.11 H new ATOM 0 HZ PHE A 9 -11.881 -3.968 -16.405 1.00 53.32 H new ATOM 155 N ASN A 10 -8.677 -8.182 -19.719 1.00 13.11 N ATOM 156 CA ASN A 10 -9.728 -8.773 -20.527 1.00 40.14 C ATOM 157 C ASN A 10 -11.072 -8.166 -20.161 1.00 41.11 C ATOM 158 O ASN A 10 -11.851 -8.765 -19.413 1.00 75.45 O ATOM 159 CB ASN A 10 -9.786 -10.295 -20.345 1.00 52.15 C ATOM 160 CG ASN A 10 -8.562 -11.013 -20.878 1.00 35.10 C ATOM 161 OD1 ASN A 10 -8.527 -11.422 -22.035 1.00 61.43 O ATOM 162 ND2 ASN A 10 -7.555 -11.185 -20.034 1.00 11.41 N ATOM 0 H ASN A 10 -8.426 -8.722 -18.891 1.00 13.11 H new ATOM 0 HA ASN A 10 -9.502 -8.561 -21.572 1.00 40.14 H new ATOM 0 HB2 ASN A 10 -9.898 -10.523 -19.285 1.00 52.15 H new ATOM 0 HB3 ASN A 10 -10.672 -10.680 -20.849 1.00 52.15 H new ATOM 0 HD21 ASN A 10 -6.712 -11.672 -20.338 1.00 11.41 H new ATOM 0 HD22 ASN A 10 -7.623 -10.830 -19.080 1.00 11.41 H new ATOM 169 N ALA A 11 -11.326 -6.964 -20.667 1.00 75.41 N ATOM 170 CA ALA A 11 -12.595 -6.280 -20.433 1.00 4.31 C ATOM 171 C ALA A 11 -13.755 -7.110 -20.960 1.00 3.23 C ATOM 172 O ALA A 11 -14.856 -7.077 -20.417 1.00 41.43 O ATOM 173 CB ALA A 11 -12.584 -4.909 -21.089 1.00 42.12 C ATOM 0 H ALA A 11 -10.668 -6.441 -21.244 1.00 75.41 H new ATOM 0 HA ALA A 11 -12.725 -6.152 -19.358 1.00 4.31 H new ATOM 0 HB1 ALA A 11 -13.536 -4.411 -20.906 1.00 42.12 H new ATOM 0 HB2 ALA A 11 -11.775 -4.311 -20.669 1.00 42.12 H new ATOM 0 HB3 ALA A 11 -12.433 -5.021 -22.163 1.00 42.12 H new ATOM 179 N GLU A 12 -13.480 -7.868 -22.013 1.00 72.24 N ATOM 180 CA GLU A 12 -14.466 -8.751 -22.615 1.00 2.11 C ATOM 181 C GLU A 12 -14.868 -9.850 -21.640 1.00 44.05 C ATOM 182 O GLU A 12 -16.032 -10.230 -21.559 1.00 50.40 O ATOM 183 CB GLU A 12 -13.882 -9.402 -23.864 1.00 73.22 C ATOM 184 CG GLU A 12 -13.236 -8.430 -24.832 1.00 0.13 C ATOM 185 CD GLU A 12 -12.497 -9.153 -25.936 1.00 41.24 C ATOM 186 OE1 GLU A 12 -13.133 -9.502 -26.947 1.00 52.44 O ATOM 187 OE2 GLU A 12 -11.284 -9.406 -25.776 1.00 21.33 O ATOM 0 H GLU A 12 -12.569 -7.887 -22.472 1.00 72.24 H new ATOM 0 HA GLU A 12 -15.342 -8.156 -22.873 1.00 2.11 H new ATOM 0 HB2 GLU A 12 -13.140 -10.141 -23.561 1.00 73.22 H new ATOM 0 HB3 GLU A 12 -14.675 -9.940 -24.383 1.00 73.22 H new ATOM 0 HG2 GLU A 12 -14.000 -7.786 -25.266 1.00 0.13 H new ATOM 0 HG3 GLU A 12 -12.544 -7.784 -24.292 1.00 0.13 H new ATOM 194 N LYS A 13 -13.886 -10.350 -20.900 1.00 33.54 N ATOM 195 CA LYS A 13 -14.096 -11.488 -20.016 1.00 14.02 C ATOM 196 C LYS A 13 -14.506 -11.021 -18.626 1.00 65.05 C ATOM 197 O LYS A 13 -15.145 -11.755 -17.873 1.00 42.52 O ATOM 198 CB LYS A 13 -12.821 -12.330 -19.936 1.00 14.21 C ATOM 199 CG LYS A 13 -12.360 -12.878 -21.280 1.00 1.22 C ATOM 200 CD LYS A 13 -13.363 -13.865 -21.861 1.00 33.35 C ATOM 201 CE LYS A 13 -12.917 -14.386 -23.221 1.00 10.13 C ATOM 202 NZ LYS A 13 -12.896 -13.311 -24.249 1.00 22.01 N ATOM 0 H LYS A 13 -12.934 -9.984 -20.895 1.00 33.54 H new ATOM 0 HA LYS A 13 -14.901 -12.100 -20.423 1.00 14.02 H new ATOM 0 HB2 LYS A 13 -12.023 -11.723 -19.509 1.00 14.21 H new ATOM 0 HB3 LYS A 13 -12.989 -13.163 -19.253 1.00 14.21 H new ATOM 0 HG2 LYS A 13 -12.215 -12.054 -21.978 1.00 1.22 H new ATOM 0 HG3 LYS A 13 -11.394 -13.369 -21.161 1.00 1.22 H new ATOM 0 HD2 LYS A 13 -13.490 -14.702 -21.174 1.00 33.35 H new ATOM 0 HD3 LYS A 13 -14.335 -13.382 -21.957 1.00 33.35 H new ATOM 0 HE2 LYS A 13 -11.923 -14.824 -23.133 1.00 10.13 H new ATOM 0 HE3 LYS A 13 -13.588 -15.182 -23.542 1.00 10.13 H new ATOM 0 HZ1 LYS A 13 -12.771 -13.734 -25.191 1.00 22.01 H new ATOM 0 HZ2 LYS A 13 -13.794 -12.787 -24.221 1.00 22.01 H new ATOM 0 HZ3 LYS A 13 -12.109 -12.660 -24.054 1.00 22.01 H new ATOM 216 N GLY A 14 -14.131 -9.794 -18.292 1.00 54.40 N ATOM 217 CA GLY A 14 -14.508 -9.226 -17.018 1.00 20.52 C ATOM 218 C GLY A 14 -13.430 -9.378 -15.964 1.00 12.42 C ATOM 219 O GLY A 14 -13.704 -9.261 -14.772 1.00 43.22 O ATOM 0 H GLY A 14 -13.570 -9.182 -18.885 1.00 54.40 H new ATOM 0 HA2 GLY A 14 -14.734 -8.168 -17.150 1.00 20.52 H new ATOM 0 HA3 GLY A 14 -15.422 -9.706 -16.668 1.00 20.52 H new ATOM 223 N PHE A 15 -12.202 -9.632 -16.390 1.00 44.24 N ATOM 224 CA PHE A 15 -11.100 -9.791 -15.450 1.00 3.44 C ATOM 225 C PHE A 15 -9.769 -9.508 -16.126 1.00 4.23 C ATOM 226 O PHE A 15 -9.677 -9.483 -17.353 1.00 13.31 O ATOM 227 CB PHE A 15 -11.095 -11.197 -14.827 1.00 4.35 C ATOM 228 CG PHE A 15 -10.894 -12.321 -15.807 1.00 44.53 C ATOM 229 CD1 PHE A 15 -9.619 -12.702 -16.199 1.00 43.04 C ATOM 230 CD2 PHE A 15 -11.981 -13.007 -16.321 1.00 61.53 C ATOM 231 CE1 PHE A 15 -9.434 -13.740 -17.089 1.00 14.30 C ATOM 232 CE2 PHE A 15 -11.801 -14.048 -17.210 1.00 74.32 C ATOM 233 CZ PHE A 15 -10.527 -14.415 -17.595 1.00 64.44 C ATOM 0 H PHE A 15 -11.943 -9.732 -17.372 1.00 44.24 H new ATOM 0 HA PHE A 15 -11.244 -9.067 -14.648 1.00 3.44 H new ATOM 0 HB2 PHE A 15 -10.307 -11.243 -14.076 1.00 4.35 H new ATOM 0 HB3 PHE A 15 -12.040 -11.352 -14.307 1.00 4.35 H new ATOM 0 HD1 PHE A 15 -8.761 -12.180 -15.803 1.00 43.04 H new ATOM 0 HD2 PHE A 15 -12.980 -12.725 -16.024 1.00 61.53 H new ATOM 0 HE1 PHE A 15 -8.436 -14.024 -17.389 1.00 14.30 H new ATOM 0 HE2 PHE A 15 -12.657 -14.575 -17.604 1.00 74.32 H new ATOM 0 HZ PHE A 15 -10.386 -15.229 -18.291 1.00 64.44 H new ATOM 243 N GLY A 16 -8.745 -9.293 -15.323 1.00 63.43 N ATOM 244 CA GLY A 16 -7.428 -9.029 -15.857 1.00 73.34 C ATOM 245 C GLY A 16 -6.337 -9.536 -14.946 1.00 64.45 C ATOM 246 O GLY A 16 -6.615 -10.051 -13.860 1.00 22.11 O ATOM 0 H GLY A 16 -8.801 -9.296 -14.305 1.00 63.43 H new ATOM 0 HA2 GLY A 16 -7.332 -9.501 -16.835 1.00 73.34 H new ATOM 0 HA3 GLY A 16 -7.306 -7.956 -16.007 1.00 73.34 H new ATOM 250 N PHE A 17 -5.096 -9.391 -15.382 1.00 0.10 N ATOM 251 CA PHE A 17 -3.954 -9.798 -14.580 1.00 75.54 C ATOM 252 C PHE A 17 -3.004 -8.629 -14.384 1.00 74.43 C ATOM 253 O PHE A 17 -2.655 -7.934 -15.339 1.00 70.13 O ATOM 254 CB PHE A 17 -3.218 -10.969 -15.239 1.00 51.55 C ATOM 255 CG PHE A 17 -4.017 -12.240 -15.272 1.00 14.01 C ATOM 256 CD1 PHE A 17 -4.045 -13.082 -14.172 1.00 0.11 C ATOM 257 CD2 PHE A 17 -4.739 -12.593 -16.401 1.00 61.02 C ATOM 258 CE1 PHE A 17 -4.779 -14.252 -14.196 1.00 34.23 C ATOM 259 CE2 PHE A 17 -5.476 -13.763 -16.433 1.00 43.45 C ATOM 260 CZ PHE A 17 -5.496 -14.593 -15.328 1.00 22.24 C ATOM 0 H PHE A 17 -4.854 -8.993 -16.289 1.00 0.10 H new ATOM 0 HA PHE A 17 -4.320 -10.124 -13.606 1.00 75.54 H new ATOM 0 HB2 PHE A 17 -2.951 -10.691 -16.259 1.00 51.55 H new ATOM 0 HB3 PHE A 17 -2.286 -11.149 -14.703 1.00 51.55 H new ATOM 0 HD1 PHE A 17 -3.486 -12.821 -13.285 1.00 0.11 H new ATOM 0 HD2 PHE A 17 -4.726 -11.947 -17.266 1.00 61.02 H new ATOM 0 HE1 PHE A 17 -4.793 -14.900 -13.332 1.00 34.23 H new ATOM 0 HE2 PHE A 17 -6.034 -14.027 -17.319 1.00 43.45 H new ATOM 0 HZ PHE A 17 -6.071 -15.507 -15.349 1.00 22.24 H new ATOM 270 N ILE A 18 -2.607 -8.406 -13.145 1.00 1.50 N ATOM 271 CA ILE A 18 -1.668 -7.347 -12.815 1.00 41.01 C ATOM 272 C ILE A 18 -0.463 -7.952 -12.104 1.00 50.42 C ATOM 273 O ILE A 18 -0.605 -8.941 -11.393 1.00 13.33 O ATOM 274 CB ILE A 18 -2.325 -6.281 -11.907 1.00 72.22 C ATOM 275 CG1 ILE A 18 -3.677 -5.842 -12.480 1.00 0.32 C ATOM 276 CG2 ILE A 18 -1.408 -5.081 -11.751 1.00 34.51 C ATOM 277 CD1 ILE A 18 -4.452 -4.921 -11.562 1.00 45.23 C ATOM 0 H ILE A 18 -2.923 -8.950 -12.342 1.00 1.50 H new ATOM 0 HA ILE A 18 -1.355 -6.859 -13.738 1.00 41.01 H new ATOM 0 HB ILE A 18 -2.493 -6.724 -10.925 1.00 72.22 H new ATOM 0 HG12 ILE A 18 -3.513 -5.338 -13.433 1.00 0.32 H new ATOM 0 HG13 ILE A 18 -4.279 -6.727 -12.687 1.00 0.32 H new ATOM 0 HG21 ILE A 18 -1.885 -4.340 -11.109 1.00 34.51 H new ATOM 0 HG22 ILE A 18 -0.467 -5.398 -11.302 1.00 34.51 H new ATOM 0 HG23 ILE A 18 -1.213 -4.642 -12.730 1.00 34.51 H new ATOM 0 HD11 ILE A 18 -5.398 -4.651 -12.032 1.00 45.23 H new ATOM 0 HD12 ILE A 18 -4.648 -5.429 -10.618 1.00 45.23 H new ATOM 0 HD13 ILE A 18 -3.869 -4.019 -11.375 1.00 45.23 H new ATOM 289 N GLU A 19 0.719 -7.389 -12.309 1.00 12.22 N ATOM 290 CA GLU A 19 1.921 -7.930 -11.690 1.00 71.02 C ATOM 291 C GLU A 19 2.319 -7.145 -10.447 1.00 70.15 C ATOM 292 O GLU A 19 2.397 -5.915 -10.463 1.00 1.42 O ATOM 293 CB GLU A 19 3.086 -7.962 -12.685 1.00 44.12 C ATOM 294 CG GLU A 19 3.472 -6.602 -13.250 1.00 51.35 C ATOM 295 CD GLU A 19 4.627 -6.687 -14.226 1.00 42.43 C ATOM 296 OE1 GLU A 19 5.792 -6.694 -13.778 1.00 13.45 O ATOM 297 OE2 GLU A 19 4.377 -6.760 -15.448 1.00 64.22 O ATOM 0 H GLU A 19 0.872 -6.567 -12.893 1.00 12.22 H new ATOM 0 HA GLU A 19 1.690 -8.951 -11.386 1.00 71.02 H new ATOM 0 HB2 GLU A 19 3.956 -8.397 -12.193 1.00 44.12 H new ATOM 0 HB3 GLU A 19 2.824 -8.623 -13.511 1.00 44.12 H new ATOM 0 HG2 GLU A 19 2.609 -6.162 -13.750 1.00 51.35 H new ATOM 0 HG3 GLU A 19 3.741 -5.935 -12.431 1.00 51.35 H new ATOM 304 N ARG A 20 2.539 -7.872 -9.365 1.00 11.02 N ATOM 305 CA ARG A 20 3.113 -7.311 -8.156 1.00 13.42 C ATOM 306 C ARG A 20 4.605 -7.626 -8.141 1.00 10.35 C ATOM 307 O ARG A 20 5.028 -8.620 -8.737 1.00 11.20 O ATOM 308 CB ARG A 20 2.443 -7.912 -6.912 1.00 50.23 C ATOM 309 CG ARG A 20 2.933 -7.318 -5.599 1.00 12.52 C ATOM 310 CD ARG A 20 2.689 -8.251 -4.423 1.00 12.40 C ATOM 311 NE ARG A 20 1.272 -8.536 -4.224 1.00 42.10 N ATOM 312 CZ ARG A 20 0.786 -9.757 -4.003 1.00 13.05 C ATOM 313 NH1 ARG A 20 1.604 -10.796 -3.901 1.00 12.51 N ATOM 314 NH2 ARG A 20 -0.521 -9.945 -3.866 1.00 21.03 N ATOM 0 H ARG A 20 2.325 -8.867 -9.301 1.00 11.02 H new ATOM 0 HA ARG A 20 2.953 -6.233 -8.142 1.00 13.42 H new ATOM 0 HB2 ARG A 20 1.365 -7.766 -6.986 1.00 50.23 H new ATOM 0 HB3 ARG A 20 2.619 -8.988 -6.901 1.00 50.23 H new ATOM 0 HG2 ARG A 20 3.999 -7.102 -5.675 1.00 12.52 H new ATOM 0 HG3 ARG A 20 2.427 -6.369 -5.420 1.00 12.52 H new ATOM 0 HD2 ARG A 20 3.225 -9.186 -4.587 1.00 12.40 H new ATOM 0 HD3 ARG A 20 3.098 -7.804 -3.517 1.00 12.40 H new ATOM 0 HE ARG A 20 0.616 -7.756 -4.256 1.00 42.10 H new ATOM 0 HH11 ARG A 20 2.611 -10.663 -3.992 1.00 12.51 H new ATOM 0 HH12 ARG A 20 1.226 -11.728 -3.732 1.00 12.51 H new ATOM 0 HH21 ARG A 20 -1.160 -9.152 -3.930 1.00 21.03 H new ATOM 0 HH22 ARG A 20 -0.886 -10.882 -3.697 1.00 21.03 H new ATOM 328 N GLU A 21 5.393 -6.799 -7.459 1.00 42.02 N ATOM 329 CA GLU A 21 6.830 -7.034 -7.335 1.00 24.45 C ATOM 330 C GLU A 21 7.099 -8.454 -6.837 1.00 12.40 C ATOM 331 O GLU A 21 8.083 -9.087 -7.223 1.00 34.43 O ATOM 332 CB GLU A 21 7.453 -6.026 -6.370 1.00 1.13 C ATOM 333 CG GLU A 21 7.169 -4.577 -6.725 1.00 31.50 C ATOM 334 CD GLU A 21 7.814 -3.610 -5.754 1.00 24.42 C ATOM 335 OE1 GLU A 21 7.429 -3.608 -4.567 1.00 61.43 O ATOM 336 OE2 GLU A 21 8.717 -2.857 -6.168 1.00 54.51 O ATOM 0 H GLU A 21 5.061 -5.960 -6.983 1.00 42.02 H new ATOM 0 HA GLU A 21 7.281 -6.912 -8.320 1.00 24.45 H new ATOM 0 HB2 GLU A 21 7.081 -6.223 -5.364 1.00 1.13 H new ATOM 0 HB3 GLU A 21 8.532 -6.179 -6.347 1.00 1.13 H new ATOM 0 HG2 GLU A 21 7.533 -4.374 -7.732 1.00 31.50 H new ATOM 0 HG3 GLU A 21 6.092 -4.413 -6.736 1.00 31.50 H new ATOM 343 N ASN A 22 6.211 -8.945 -5.978 1.00 44.42 N ATOM 344 CA ASN A 22 6.282 -10.314 -5.497 1.00 54.51 C ATOM 345 C ASN A 22 4.962 -11.027 -5.796 1.00 64.23 C ATOM 346 O ASN A 22 4.259 -11.472 -4.892 1.00 65.44 O ATOM 347 CB ASN A 22 6.573 -10.339 -3.991 1.00 53.43 C ATOM 348 CG ASN A 22 7.125 -11.673 -3.527 1.00 51.43 C ATOM 349 OD1 ASN A 22 6.380 -12.604 -3.226 1.00 75.23 O ATOM 350 ND2 ASN A 22 8.441 -11.771 -3.452 1.00 74.43 N ATOM 0 H ASN A 22 5.430 -8.408 -5.601 1.00 44.42 H new ATOM 0 HA ASN A 22 7.094 -10.831 -6.009 1.00 54.51 H new ATOM 0 HB2 ASN A 22 7.286 -9.551 -3.749 1.00 53.43 H new ATOM 0 HB3 ASN A 22 5.656 -10.119 -3.444 1.00 53.43 H new ATOM 0 HD21 ASN A 22 8.870 -12.641 -3.136 1.00 74.43 H new ATOM 0 HD22 ASN A 22 9.027 -10.977 -3.710 1.00 74.43 H new ATOM 357 N GLY A 23 4.603 -11.078 -7.070 1.00 40.13 N ATOM 358 CA GLY A 23 3.376 -11.737 -7.475 1.00 0.45 C ATOM 359 C GLY A 23 2.989 -11.354 -8.886 1.00 11.32 C ATOM 360 O GLY A 23 2.096 -10.538 -9.092 1.00 20.04 O ATOM 0 H GLY A 23 5.142 -10.673 -7.835 1.00 40.13 H new ATOM 0 HA2 GLY A 23 3.502 -12.818 -7.410 1.00 0.45 H new ATOM 0 HA3 GLY A 23 2.572 -11.468 -6.789 1.00 0.45 H new ATOM 364 N ASP A 24 3.648 -11.974 -9.855 1.00 25.24 N ATOM 365 CA ASP A 24 3.561 -11.567 -11.262 1.00 62.02 C ATOM 366 C ASP A 24 2.157 -11.774 -11.851 1.00 0.02 C ATOM 367 O ASP A 24 1.892 -11.408 -12.997 1.00 4.31 O ATOM 368 CB ASP A 24 4.607 -12.340 -12.076 1.00 51.43 C ATOM 369 CG ASP A 24 4.758 -11.836 -13.499 1.00 34.24 C ATOM 370 OD1 ASP A 24 5.245 -10.702 -13.689 1.00 30.11 O ATOM 371 OD2 ASP A 24 4.400 -12.577 -14.438 1.00 64.14 O ATOM 0 H ASP A 24 4.260 -12.774 -9.694 1.00 25.24 H new ATOM 0 HA ASP A 24 3.763 -10.497 -11.315 1.00 62.02 H new ATOM 0 HB2 ASP A 24 5.571 -12.274 -11.571 1.00 51.43 H new ATOM 0 HB3 ASP A 24 4.331 -13.394 -12.099 1.00 51.43 H new ATOM 376 N ASP A 25 1.245 -12.330 -11.064 1.00 34.24 N ATOM 377 CA ASP A 25 -0.107 -12.594 -11.547 1.00 65.45 C ATOM 378 C ASP A 25 -1.154 -12.394 -10.448 1.00 4.22 C ATOM 379 O ASP A 25 -1.421 -13.280 -9.638 1.00 63.34 O ATOM 380 CB ASP A 25 -0.209 -14.001 -12.173 1.00 71.01 C ATOM 381 CG ASP A 25 0.027 -15.145 -11.196 1.00 24.13 C ATOM 382 OD1 ASP A 25 1.162 -15.282 -10.691 1.00 11.34 O ATOM 383 OD2 ASP A 25 -0.914 -15.933 -10.954 1.00 51.04 O ATOM 0 H ASP A 25 1.413 -12.605 -10.096 1.00 34.24 H new ATOM 0 HA ASP A 25 -0.321 -11.865 -12.328 1.00 65.45 H new ATOM 0 HB2 ASP A 25 -1.198 -14.117 -12.616 1.00 71.01 H new ATOM 0 HB3 ASP A 25 0.515 -14.077 -12.984 1.00 71.01 H new ATOM 388 N VAL A 26 -1.711 -11.193 -10.402 1.00 33.42 N ATOM 389 CA VAL A 26 -2.804 -10.875 -9.494 1.00 54.20 C ATOM 390 C VAL A 26 -4.117 -10.825 -10.270 1.00 3.42 C ATOM 391 O VAL A 26 -4.211 -10.148 -11.295 1.00 73.23 O ATOM 392 CB VAL A 26 -2.580 -9.520 -8.780 1.00 43.44 C ATOM 393 CG1 VAL A 26 -3.667 -9.270 -7.742 1.00 51.42 C ATOM 394 CG2 VAL A 26 -1.200 -9.469 -8.138 1.00 50.42 C ATOM 0 H VAL A 26 -1.419 -10.413 -10.991 1.00 33.42 H new ATOM 0 HA VAL A 26 -2.844 -11.656 -8.735 1.00 54.20 H new ATOM 0 HB VAL A 26 -2.636 -8.729 -9.528 1.00 43.44 H new ATOM 0 HG11 VAL A 26 -3.490 -8.312 -7.253 1.00 51.42 H new ATOM 0 HG12 VAL A 26 -4.641 -9.252 -8.232 1.00 51.42 H new ATOM 0 HG13 VAL A 26 -3.650 -10.066 -6.998 1.00 51.42 H new ATOM 0 HG21 VAL A 26 -1.065 -8.508 -7.642 1.00 50.42 H new ATOM 0 HG22 VAL A 26 -1.110 -10.271 -7.406 1.00 50.42 H new ATOM 0 HG23 VAL A 26 -0.437 -9.592 -8.906 1.00 50.42 H new ATOM 404 N PHE A 27 -5.119 -11.543 -9.786 1.00 14.43 N ATOM 405 CA PHE A 27 -6.403 -11.622 -10.470 1.00 64.03 C ATOM 406 C PHE A 27 -7.275 -10.421 -10.103 1.00 15.44 C ATOM 407 O PHE A 27 -7.797 -10.339 -8.990 1.00 35.12 O ATOM 408 CB PHE A 27 -7.103 -12.933 -10.097 1.00 65.44 C ATOM 409 CG PHE A 27 -8.289 -13.267 -10.957 1.00 3.15 C ATOM 410 CD1 PHE A 27 -8.121 -13.955 -12.147 1.00 13.42 C ATOM 411 CD2 PHE A 27 -9.567 -12.903 -10.571 1.00 3.24 C ATOM 412 CE1 PHE A 27 -9.207 -14.272 -12.939 1.00 3.44 C ATOM 413 CE2 PHE A 27 -10.658 -13.216 -11.357 1.00 13.21 C ATOM 414 CZ PHE A 27 -10.478 -13.903 -12.543 1.00 54.41 C ATOM 0 H PHE A 27 -5.069 -12.081 -8.921 1.00 14.43 H new ATOM 0 HA PHE A 27 -6.238 -11.604 -11.547 1.00 64.03 H new ATOM 0 HB2 PHE A 27 -6.382 -13.748 -10.161 1.00 65.44 H new ATOM 0 HB3 PHE A 27 -7.427 -12.875 -9.058 1.00 65.44 H new ATOM 0 HD1 PHE A 27 -7.129 -14.247 -12.459 1.00 13.42 H new ATOM 0 HD2 PHE A 27 -9.713 -12.368 -9.644 1.00 3.24 H new ATOM 0 HE1 PHE A 27 -9.063 -14.807 -13.866 1.00 3.44 H new ATOM 0 HE2 PHE A 27 -11.650 -12.925 -11.046 1.00 13.21 H new ATOM 0 HZ PHE A 27 -11.330 -14.151 -13.159 1.00 54.41 H new ATOM 424 N VAL A 28 -7.428 -9.491 -11.036 1.00 71.11 N ATOM 425 CA VAL A 28 -8.170 -8.268 -10.767 1.00 63.33 C ATOM 426 C VAL A 28 -9.595 -8.352 -11.308 1.00 54.42 C ATOM 427 O VAL A 28 -9.845 -8.951 -12.357 1.00 3.31 O ATOM 428 CB VAL A 28 -7.456 -7.024 -11.350 1.00 1.01 C ATOM 429 CG1 VAL A 28 -7.418 -7.064 -12.869 1.00 64.55 C ATOM 430 CG2 VAL A 28 -8.118 -5.745 -10.868 1.00 20.14 C ATOM 0 H VAL A 28 -7.050 -9.560 -11.981 1.00 71.11 H new ATOM 0 HA VAL A 28 -8.214 -8.159 -9.683 1.00 63.33 H new ATOM 0 HB VAL A 28 -6.427 -7.039 -10.990 1.00 1.01 H new ATOM 0 HG11 VAL A 28 -6.910 -6.176 -13.244 1.00 64.55 H new ATOM 0 HG12 VAL A 28 -6.881 -7.954 -13.196 1.00 64.55 H new ATOM 0 HG13 VAL A 28 -8.436 -7.091 -13.258 1.00 64.55 H new ATOM 0 HG21 VAL A 28 -7.599 -4.885 -11.291 1.00 20.14 H new ATOM 0 HG22 VAL A 28 -9.160 -5.732 -11.187 1.00 20.14 H new ATOM 0 HG23 VAL A 28 -8.071 -5.698 -9.780 1.00 20.14 H new ATOM 440 N HIS A 29 -10.524 -7.757 -10.569 1.00 72.13 N ATOM 441 CA HIS A 29 -11.922 -7.709 -10.971 1.00 75.00 C ATOM 442 C HIS A 29 -12.224 -6.378 -11.648 1.00 71.21 C ATOM 443 O HIS A 29 -11.847 -5.317 -11.140 1.00 43.03 O ATOM 444 CB HIS A 29 -12.839 -7.891 -9.758 1.00 3.50 C ATOM 445 CG HIS A 29 -12.862 -9.286 -9.208 1.00 25.11 C ATOM 446 ND1 HIS A 29 -11.795 -9.863 -8.551 1.00 1.23 N ATOM 447 CD2 HIS A 29 -13.841 -10.218 -9.218 1.00 14.14 C ATOM 448 CE1 HIS A 29 -12.119 -11.091 -8.190 1.00 54.32 C ATOM 449 NE2 HIS A 29 -13.353 -11.330 -8.581 1.00 21.45 N ATOM 0 H HIS A 29 -10.330 -7.297 -9.680 1.00 72.13 H new ATOM 0 HA HIS A 29 -12.106 -8.522 -11.674 1.00 75.00 H new ATOM 0 HB2 HIS A 29 -12.521 -7.207 -8.971 1.00 3.50 H new ATOM 0 HB3 HIS A 29 -13.853 -7.606 -10.037 1.00 3.50 H new ATOM 0 HD2 HIS A 29 -14.825 -10.107 -9.648 1.00 14.14 H new ATOM 0 HE1 HIS A 29 -11.479 -11.783 -7.663 1.00 54.32 H new ATOM 0 HE2 HIS A 29 -13.863 -12.201 -8.434 1.00 21.45 H new ATOM 458 N PHE A 30 -12.916 -6.431 -12.781 1.00 60.31 N ATOM 459 CA PHE A 30 -13.207 -5.225 -13.556 1.00 71.24 C ATOM 460 C PHE A 30 -14.100 -4.264 -12.766 1.00 42.13 C ATOM 461 O PHE A 30 -14.061 -3.056 -12.974 1.00 75.32 O ATOM 462 CB PHE A 30 -13.866 -5.584 -14.900 1.00 32.32 C ATOM 463 CG PHE A 30 -15.321 -5.968 -14.805 1.00 51.22 C ATOM 464 CD1 PHE A 30 -15.715 -7.133 -14.161 1.00 32.44 C ATOM 465 CD2 PHE A 30 -16.295 -5.163 -15.374 1.00 60.30 C ATOM 466 CE1 PHE A 30 -17.050 -7.484 -14.085 1.00 71.23 C ATOM 467 CE2 PHE A 30 -17.631 -5.507 -15.300 1.00 20.35 C ATOM 468 CZ PHE A 30 -18.010 -6.670 -14.656 1.00 5.15 C ATOM 0 H PHE A 30 -13.286 -7.292 -13.184 1.00 60.31 H new ATOM 0 HA PHE A 30 -12.260 -4.724 -13.757 1.00 71.24 H new ATOM 0 HB2 PHE A 30 -13.772 -4.733 -15.574 1.00 32.32 H new ATOM 0 HB3 PHE A 30 -13.315 -6.410 -15.350 1.00 32.32 H new ATOM 0 HD1 PHE A 30 -14.969 -7.773 -13.714 1.00 32.44 H new ATOM 0 HD2 PHE A 30 -16.006 -4.255 -15.882 1.00 60.30 H new ATOM 0 HE1 PHE A 30 -17.342 -8.393 -13.580 1.00 71.23 H new ATOM 0 HE2 PHE A 30 -18.379 -4.868 -15.745 1.00 20.35 H new ATOM 0 HZ PHE A 30 -19.054 -6.942 -14.599 1.00 5.15 H new ATOM 478 N SER A 31 -14.888 -4.812 -11.846 1.00 61.04 N ATOM 479 CA SER A 31 -15.776 -4.004 -11.027 1.00 73.13 C ATOM 480 C SER A 31 -15.060 -3.548 -9.751 1.00 51.25 C ATOM 481 O SER A 31 -15.522 -2.640 -9.057 1.00 4.35 O ATOM 482 CB SER A 31 -17.041 -4.802 -10.687 1.00 23.45 C ATOM 483 OG SER A 31 -17.989 -4.010 -9.990 1.00 1.41 O ATOM 0 H SER A 31 -14.927 -5.812 -11.651 1.00 61.04 H new ATOM 0 HA SER A 31 -16.065 -3.115 -11.587 1.00 73.13 H new ATOM 0 HB2 SER A 31 -17.489 -5.182 -11.605 1.00 23.45 H new ATOM 0 HB3 SER A 31 -16.773 -5.667 -10.081 1.00 23.45 H new ATOM 0 HG SER A 31 -17.521 -3.354 -9.432 1.00 1.41 H new ATOM 489 N ALA A 32 -13.921 -4.171 -9.452 1.00 62.22 N ATOM 490 CA ALA A 32 -13.129 -3.796 -8.284 1.00 63.12 C ATOM 491 C ALA A 32 -12.242 -2.607 -8.620 1.00 42.01 C ATOM 492 O ALA A 32 -11.803 -1.864 -7.739 1.00 41.10 O ATOM 493 CB ALA A 32 -12.293 -4.969 -7.791 1.00 44.50 C ATOM 0 H ALA A 32 -13.528 -4.935 -10.001 1.00 62.22 H new ATOM 0 HA ALA A 32 -13.809 -3.513 -7.481 1.00 63.12 H new ATOM 0 HB1 ALA A 32 -11.713 -4.662 -6.921 1.00 44.50 H new ATOM 0 HB2 ALA A 32 -12.950 -5.794 -7.517 1.00 44.50 H new ATOM 0 HB3 ALA A 32 -11.616 -5.292 -8.582 1.00 44.50 H new ATOM 499 N ILE A 33 -11.971 -2.442 -9.906 1.00 3.45 N ATOM 500 CA ILE A 33 -11.280 -1.260 -10.396 1.00 34.24 C ATOM 501 C ILE A 33 -12.248 -0.079 -10.426 1.00 63.24 C ATOM 502 O ILE A 33 -13.410 -0.240 -10.808 1.00 72.35 O ATOM 503 CB ILE A 33 -10.713 -1.488 -11.817 1.00 12.41 C ATOM 504 CG1 ILE A 33 -9.860 -2.758 -11.854 1.00 42.24 C ATOM 505 CG2 ILE A 33 -9.897 -0.284 -12.269 1.00 1.03 C ATOM 506 CD1 ILE A 33 -9.342 -3.108 -13.232 1.00 4.10 C ATOM 0 H ILE A 33 -12.220 -3.115 -10.631 1.00 3.45 H new ATOM 0 HA ILE A 33 -10.449 -1.051 -9.723 1.00 34.24 H new ATOM 0 HB ILE A 33 -11.549 -1.612 -12.505 1.00 12.41 H new ATOM 0 HG12 ILE A 33 -9.013 -2.635 -11.179 1.00 42.24 H new ATOM 0 HG13 ILE A 33 -10.451 -3.592 -11.476 1.00 42.24 H new ATOM 0 HG21 ILE A 33 -9.507 -0.464 -13.271 1.00 1.03 H new ATOM 0 HG22 ILE A 33 -10.532 0.602 -12.281 1.00 1.03 H new ATOM 0 HG23 ILE A 33 -9.068 -0.127 -11.579 1.00 1.03 H new ATOM 0 HD11 ILE A 33 -8.747 -4.019 -13.176 1.00 4.10 H new ATOM 0 HD12 ILE A 33 -10.183 -3.264 -13.908 1.00 4.10 H new ATOM 0 HD13 ILE A 33 -8.723 -2.293 -13.606 1.00 4.10 H new ATOM 518 N GLN A 34 -11.784 1.096 -10.012 1.00 65.51 N ATOM 519 CA GLN A 34 -12.611 2.301 -10.064 1.00 2.13 C ATOM 520 C GLN A 34 -12.724 2.845 -11.492 1.00 23.51 C ATOM 521 O GLN A 34 -12.343 3.981 -11.778 1.00 73.21 O ATOM 522 CB GLN A 34 -12.090 3.382 -9.098 1.00 54.31 C ATOM 523 CG GLN A 34 -10.567 3.501 -8.986 1.00 70.52 C ATOM 524 CD GLN A 34 -9.877 3.879 -10.289 1.00 73.42 C ATOM 525 OE1 GLN A 34 -9.760 5.057 -10.623 1.00 21.43 O ATOM 526 NE2 GLN A 34 -9.373 2.888 -11.012 1.00 11.52 N ATOM 0 H GLN A 34 -10.846 1.241 -9.639 1.00 65.51 H new ATOM 0 HA GLN A 34 -13.613 2.020 -9.739 1.00 2.13 H new ATOM 0 HB2 GLN A 34 -12.488 4.346 -9.414 1.00 54.31 H new ATOM 0 HB3 GLN A 34 -12.493 3.180 -8.106 1.00 54.31 H new ATOM 0 HG2 GLN A 34 -10.326 4.248 -8.230 1.00 70.52 H new ATOM 0 HG3 GLN A 34 -10.164 2.551 -8.636 1.00 70.52 H new ATOM 0 HE21 GLN A 34 -9.489 1.922 -10.705 1.00 11.52 H new ATOM 0 HE22 GLN A 34 -8.869 3.091 -11.875 1.00 11.52 H new ATOM 535 N GLY A 35 -13.257 2.022 -12.383 1.00 13.14 N ATOM 536 CA GLY A 35 -13.405 2.415 -13.767 1.00 41.30 C ATOM 537 C GLY A 35 -14.445 3.498 -13.950 1.00 0.02 C ATOM 538 O GLY A 35 -15.482 3.495 -13.283 1.00 21.31 O ATOM 0 H GLY A 35 -13.592 1.083 -12.169 1.00 13.14 H new ATOM 0 HA2 GLY A 35 -12.446 2.768 -14.146 1.00 41.30 H new ATOM 0 HA3 GLY A 35 -13.682 1.544 -14.362 1.00 41.30 H new ATOM 542 N ASP A 36 -14.158 4.434 -14.841 1.00 41.11 N ATOM 543 CA ASP A 36 -15.092 5.505 -15.161 1.00 1.41 C ATOM 544 C ASP A 36 -16.180 4.985 -16.090 1.00 62.41 C ATOM 545 O ASP A 36 -16.078 5.106 -17.313 1.00 53.12 O ATOM 546 CB ASP A 36 -14.365 6.678 -15.825 1.00 42.00 C ATOM 547 CG ASP A 36 -13.324 7.321 -14.929 1.00 40.11 C ATOM 548 OD1 ASP A 36 -12.277 6.686 -14.667 1.00 32.12 O ATOM 549 OD2 ASP A 36 -13.531 8.480 -14.513 1.00 71.05 O ATOM 0 H ASP A 36 -13.280 4.474 -15.359 1.00 41.11 H new ATOM 0 HA ASP A 36 -15.544 5.855 -14.233 1.00 1.41 H new ATOM 0 HB2 ASP A 36 -13.883 6.328 -16.738 1.00 42.00 H new ATOM 0 HB3 ASP A 36 -15.097 7.431 -16.119 1.00 42.00 H new ATOM 554 N GLY A 37 -17.207 4.379 -15.508 1.00 11.54 N ATOM 555 CA GLY A 37 -18.262 3.770 -16.296 1.00 72.13 C ATOM 556 C GLY A 37 -17.810 2.462 -16.912 1.00 3.20 C ATOM 557 O GLY A 37 -18.278 1.388 -16.533 1.00 2.25 O ATOM 0 H GLY A 37 -17.329 4.298 -14.499 1.00 11.54 H new ATOM 0 HA2 GLY A 37 -19.134 3.594 -15.665 1.00 72.13 H new ATOM 0 HA3 GLY A 37 -18.572 4.457 -17.084 1.00 72.13 H new ATOM 561 N PHE A 38 -16.896 2.563 -17.860 1.00 43.34 N ATOM 562 CA PHE A 38 -16.280 1.404 -18.476 1.00 74.43 C ATOM 563 C PHE A 38 -14.889 1.794 -18.956 1.00 54.34 C ATOM 564 O PHE A 38 -14.727 2.336 -20.051 1.00 53.33 O ATOM 565 CB PHE A 38 -17.129 0.888 -19.643 1.00 2.43 C ATOM 566 CG PHE A 38 -16.715 -0.472 -20.137 1.00 13.33 C ATOM 567 CD1 PHE A 38 -17.180 -1.619 -19.512 1.00 74.44 C ATOM 568 CD2 PHE A 38 -15.863 -0.606 -21.223 1.00 33.21 C ATOM 569 CE1 PHE A 38 -16.804 -2.870 -19.959 1.00 0.32 C ATOM 570 CE2 PHE A 38 -15.482 -1.856 -21.673 1.00 53.40 C ATOM 571 CZ PHE A 38 -15.955 -2.989 -21.041 1.00 52.12 C ATOM 0 H PHE A 38 -16.560 3.454 -18.225 1.00 43.34 H new ATOM 0 HA PHE A 38 -16.207 0.598 -17.745 1.00 74.43 H new ATOM 0 HB2 PHE A 38 -18.173 0.850 -19.332 1.00 2.43 H new ATOM 0 HB3 PHE A 38 -17.068 1.598 -20.467 1.00 2.43 H new ATOM 0 HD1 PHE A 38 -17.845 -1.533 -18.665 1.00 74.44 H new ATOM 0 HD2 PHE A 38 -15.493 0.277 -21.723 1.00 33.21 H new ATOM 0 HE1 PHE A 38 -17.174 -3.755 -19.462 1.00 0.32 H new ATOM 0 HE2 PHE A 38 -14.815 -1.947 -22.518 1.00 53.40 H new ATOM 0 HZ PHE A 38 -15.661 -3.967 -21.393 1.00 52.12 H new ATOM 581 N LYS A 39 -13.892 1.553 -18.119 1.00 23.21 N ATOM 582 CA LYS A 39 -12.542 2.013 -18.404 1.00 31.33 C ATOM 583 C LYS A 39 -11.609 0.829 -18.628 1.00 72.12 C ATOM 584 O LYS A 39 -11.380 0.027 -17.723 1.00 42.41 O ATOM 585 CB LYS A 39 -12.026 2.885 -17.253 1.00 53.34 C ATOM 586 CG LYS A 39 -10.902 3.829 -17.650 1.00 51.41 C ATOM 587 CD LYS A 39 -11.392 4.887 -18.626 1.00 2.30 C ATOM 588 CE LYS A 39 -10.300 5.887 -18.962 1.00 44.41 C ATOM 589 NZ LYS A 39 -10.802 6.983 -19.829 1.00 13.13 N ATOM 0 H LYS A 39 -13.991 1.044 -17.241 1.00 23.21 H new ATOM 0 HA LYS A 39 -12.565 2.611 -19.315 1.00 31.33 H new ATOM 0 HB2 LYS A 39 -12.855 3.470 -16.854 1.00 53.34 H new ATOM 0 HB3 LYS A 39 -11.676 2.238 -16.449 1.00 53.34 H new ATOM 0 HG2 LYS A 39 -10.497 4.311 -16.760 1.00 51.41 H new ATOM 0 HG3 LYS A 39 -10.089 3.261 -18.103 1.00 51.41 H new ATOM 0 HD2 LYS A 39 -11.739 4.406 -19.540 1.00 2.30 H new ATOM 0 HD3 LYS A 39 -12.246 5.411 -18.197 1.00 2.30 H new ATOM 0 HE2 LYS A 39 -9.897 6.308 -18.041 1.00 44.41 H new ATOM 0 HE3 LYS A 39 -9.479 5.374 -19.464 1.00 44.41 H new ATOM 0 HZ1 LYS A 39 -10.027 7.645 -20.036 1.00 13.13 H new ATOM 0 HZ2 LYS A 39 -11.163 6.584 -20.719 1.00 13.13 H new ATOM 0 HZ3 LYS A 39 -11.568 7.489 -19.340 1.00 13.13 H new ATOM 603 N SER A 40 -11.086 0.723 -19.837 1.00 30.11 N ATOM 604 CA SER A 40 -10.167 -0.345 -20.184 1.00 63.51 C ATOM 605 C SER A 40 -8.738 0.036 -19.797 1.00 63.33 C ATOM 606 O SER A 40 -8.175 0.998 -20.326 1.00 35.12 O ATOM 607 CB SER A 40 -10.254 -0.626 -21.684 1.00 61.21 C ATOM 608 OG SER A 40 -11.606 -0.784 -22.090 1.00 71.13 O ATOM 0 H SER A 40 -11.285 1.370 -20.600 1.00 30.11 H new ATOM 0 HA SER A 40 -10.442 -1.245 -19.635 1.00 63.51 H new ATOM 0 HB2 SER A 40 -9.796 0.193 -22.239 1.00 61.21 H new ATOM 0 HB3 SER A 40 -9.690 -1.528 -21.923 1.00 61.21 H new ATOM 0 HG SER A 40 -11.640 -0.961 -23.053 1.00 71.13 H new ATOM 614 N LEU A 41 -8.167 -0.704 -18.857 1.00 63.32 N ATOM 615 CA LEU A 41 -6.798 -0.462 -18.421 1.00 20.52 C ATOM 616 C LEU A 41 -5.816 -0.964 -19.469 1.00 51.21 C ATOM 617 O LEU A 41 -5.654 -2.169 -19.651 1.00 5.42 O ATOM 618 CB LEU A 41 -6.524 -1.137 -17.069 1.00 40.43 C ATOM 619 CG LEU A 41 -7.145 -0.454 -15.841 1.00 31.43 C ATOM 620 CD1 LEU A 41 -6.748 1.013 -15.778 1.00 73.20 C ATOM 621 CD2 LEU A 41 -8.659 -0.594 -15.837 1.00 11.31 C ATOM 0 H LEU A 41 -8.631 -1.478 -18.381 1.00 63.32 H new ATOM 0 HA LEU A 41 -6.665 0.613 -18.297 1.00 20.52 H new ATOM 0 HB2 LEU A 41 -6.892 -2.162 -17.115 1.00 40.43 H new ATOM 0 HB3 LEU A 41 -5.445 -1.191 -16.924 1.00 40.43 H new ATOM 0 HG LEU A 41 -6.757 -0.956 -14.955 1.00 31.43 H new ATOM 0 HD11 LEU A 41 -7.200 1.475 -14.900 1.00 73.20 H new ATOM 0 HD12 LEU A 41 -5.663 1.094 -15.713 1.00 73.20 H new ATOM 0 HD13 LEU A 41 -7.096 1.523 -16.676 1.00 73.20 H new ATOM 0 HD21 LEU A 41 -9.068 -0.100 -14.955 1.00 11.31 H new ATOM 0 HD22 LEU A 41 -9.069 -0.132 -16.735 1.00 11.31 H new ATOM 0 HD23 LEU A 41 -8.927 -1.650 -15.818 1.00 11.31 H new ATOM 633 N ASP A 42 -5.186 -0.027 -20.164 1.00 35.01 N ATOM 634 CA ASP A 42 -4.253 -0.346 -21.240 1.00 61.14 C ATOM 635 C ASP A 42 -3.097 -1.204 -20.734 1.00 4.04 C ATOM 636 O ASP A 42 -2.540 -0.940 -19.665 1.00 64.43 O ATOM 637 CB ASP A 42 -3.721 0.948 -21.861 1.00 41.33 C ATOM 638 CG ASP A 42 -2.735 0.700 -22.986 1.00 42.03 C ATOM 639 OD1 ASP A 42 -3.102 0.014 -23.961 1.00 23.32 O ATOM 640 OD2 ASP A 42 -1.591 1.197 -22.899 1.00 73.15 O ATOM 0 H ASP A 42 -5.305 0.973 -20.000 1.00 35.01 H new ATOM 0 HA ASP A 42 -4.786 -0.920 -21.998 1.00 61.14 H new ATOM 0 HB2 ASP A 42 -4.558 1.534 -22.241 1.00 41.33 H new ATOM 0 HB3 ASP A 42 -3.239 1.545 -21.087 1.00 41.33 H new ATOM 645 N GLU A 43 -2.766 -2.243 -21.496 1.00 40.20 N ATOM 646 CA GLU A 43 -1.653 -3.129 -21.171 1.00 41.24 C ATOM 647 C GLU A 43 -0.371 -2.329 -20.970 1.00 41.15 C ATOM 648 O GLU A 43 0.040 -1.566 -21.845 1.00 61.41 O ATOM 649 CB GLU A 43 -1.437 -4.163 -22.284 1.00 74.40 C ATOM 650 CG GLU A 43 -2.496 -5.257 -22.359 1.00 61.34 C ATOM 651 CD GLU A 43 -3.883 -4.741 -22.678 1.00 4.44 C ATOM 652 OE1 GLU A 43 -4.019 -3.897 -23.591 1.00 52.42 O ATOM 653 OE2 GLU A 43 -4.849 -5.185 -22.018 1.00 65.33 O ATOM 0 H GLU A 43 -3.260 -2.493 -22.353 1.00 40.20 H new ATOM 0 HA GLU A 43 -1.901 -3.648 -20.245 1.00 41.24 H new ATOM 0 HB2 GLU A 43 -1.404 -3.643 -23.241 1.00 74.40 H new ATOM 0 HB3 GLU A 43 -0.463 -4.630 -22.142 1.00 74.40 H new ATOM 0 HG2 GLU A 43 -2.204 -5.982 -23.119 1.00 61.34 H new ATOM 0 HG3 GLU A 43 -2.525 -5.788 -21.407 1.00 61.34 H new ATOM 660 N GLY A 44 0.253 -2.503 -19.817 1.00 42.43 N ATOM 661 CA GLY A 44 1.479 -1.788 -19.526 1.00 25.40 C ATOM 662 C GLY A 44 1.255 -0.568 -18.653 1.00 41.12 C ATOM 663 O GLY A 44 2.202 0.144 -18.321 1.00 23.32 O ATOM 0 H GLY A 44 -0.067 -3.127 -19.076 1.00 42.43 H new ATOM 0 HA2 GLY A 44 2.178 -2.461 -19.029 1.00 25.40 H new ATOM 0 HA3 GLY A 44 1.945 -1.479 -20.462 1.00 25.40 H new ATOM 667 N GLN A 45 0.007 -0.311 -18.291 1.00 12.40 N ATOM 668 CA GLN A 45 -0.309 0.818 -17.425 1.00 70.35 C ATOM 669 C GLN A 45 -0.102 0.427 -15.965 1.00 14.34 C ATOM 670 O GLN A 45 -0.251 -0.740 -15.603 1.00 12.00 O ATOM 671 CB GLN A 45 -1.752 1.286 -17.643 1.00 24.34 C ATOM 672 CG GLN A 45 -2.105 2.555 -16.880 1.00 30.21 C ATOM 673 CD GLN A 45 -1.259 3.744 -17.306 1.00 12.11 C ATOM 674 OE1 GLN A 45 -0.850 3.839 -18.464 1.00 53.43 O ATOM 675 NE2 GLN A 45 -0.976 4.647 -16.376 1.00 42.31 N ATOM 0 H GLN A 45 -0.800 -0.864 -18.580 1.00 12.40 H new ATOM 0 HA GLN A 45 0.360 1.642 -17.675 1.00 70.35 H new ATOM 0 HB2 GLN A 45 -1.913 1.456 -18.708 1.00 24.34 H new ATOM 0 HB3 GLN A 45 -2.432 0.490 -17.341 1.00 24.34 H new ATOM 0 HG2 GLN A 45 -3.158 2.788 -17.036 1.00 30.21 H new ATOM 0 HG3 GLN A 45 -1.972 2.382 -15.812 1.00 30.21 H new ATOM 0 HE21 GLN A 45 -1.334 4.532 -15.428 1.00 42.31 H new ATOM 0 HE22 GLN A 45 -0.400 5.456 -16.609 1.00 42.31 H new ATOM 684 N ALA A 46 0.254 1.395 -15.139 1.00 75.31 N ATOM 685 CA ALA A 46 0.421 1.155 -13.719 1.00 22.31 C ATOM 686 C ALA A 46 -0.887 1.408 -12.985 1.00 42.13 C ATOM 687 O ALA A 46 -1.626 2.333 -13.319 1.00 22.51 O ATOM 688 CB ALA A 46 1.525 2.038 -13.160 1.00 33.25 C ATOM 0 H ALA A 46 0.433 2.356 -15.429 1.00 75.31 H new ATOM 0 HA ALA A 46 0.705 0.113 -13.572 1.00 22.31 H new ATOM 0 HB1 ALA A 46 1.639 1.847 -12.093 1.00 33.25 H new ATOM 0 HB2 ALA A 46 2.462 1.816 -13.670 1.00 33.25 H new ATOM 0 HB3 ALA A 46 1.267 3.086 -13.315 1.00 33.25 H new ATOM 694 N VAL A 47 -1.185 0.566 -12.008 1.00 34.21 N ATOM 695 CA VAL A 47 -2.382 0.724 -11.190 1.00 33.22 C ATOM 696 C VAL A 47 -2.069 0.430 -9.729 1.00 72.24 C ATOM 697 O VAL A 47 -1.134 -0.313 -9.418 1.00 70.41 O ATOM 698 CB VAL A 47 -3.534 -0.197 -11.658 1.00 24.22 C ATOM 699 CG1 VAL A 47 -4.088 0.257 -13.003 1.00 45.05 C ATOM 700 CG2 VAL A 47 -3.061 -1.640 -11.737 1.00 62.45 C ATOM 0 H VAL A 47 -0.611 -0.240 -11.759 1.00 34.21 H new ATOM 0 HA VAL A 47 -2.707 1.758 -11.301 1.00 33.22 H new ATOM 0 HB VAL A 47 -4.337 -0.132 -10.924 1.00 24.22 H new ATOM 0 HG11 VAL A 47 -4.896 -0.408 -13.307 1.00 45.05 H new ATOM 0 HG12 VAL A 47 -4.469 1.274 -12.915 1.00 45.05 H new ATOM 0 HG13 VAL A 47 -3.295 0.230 -13.751 1.00 45.05 H new ATOM 0 HG21 VAL A 47 -3.883 -2.275 -12.068 1.00 62.45 H new ATOM 0 HG22 VAL A 47 -2.237 -1.714 -12.447 1.00 62.45 H new ATOM 0 HG23 VAL A 47 -2.723 -1.967 -10.753 1.00 62.45 H new ATOM 710 N THR A 48 -2.839 1.023 -8.837 1.00 23.20 N ATOM 711 CA THR A 48 -2.661 0.791 -7.420 1.00 43.05 C ATOM 712 C THR A 48 -3.780 -0.088 -6.890 1.00 35.54 C ATOM 713 O THR A 48 -4.904 0.365 -6.680 1.00 10.04 O ATOM 714 CB THR A 48 -2.597 2.116 -6.634 1.00 21.53 C ATOM 715 OG1 THR A 48 -3.727 2.938 -6.956 1.00 22.32 O ATOM 716 CG2 THR A 48 -1.320 2.874 -6.955 1.00 75.12 C ATOM 0 H THR A 48 -3.593 1.669 -9.070 1.00 23.20 H new ATOM 0 HA THR A 48 -1.709 0.278 -7.280 1.00 43.05 H new ATOM 0 HB THR A 48 -2.609 1.877 -5.571 1.00 21.53 H new ATOM 0 HG1 THR A 48 -3.677 3.776 -6.450 1.00 22.32 H new ATOM 0 HG21 THR A 48 -1.297 3.805 -6.389 1.00 75.12 H new ATOM 0 HG22 THR A 48 -0.458 2.264 -6.685 1.00 75.12 H new ATOM 0 HG23 THR A 48 -1.288 3.097 -8.021 1.00 75.12 H new ATOM 724 N PHE A 49 -3.469 -1.354 -6.702 1.00 3.21 N ATOM 725 CA PHE A 49 -4.464 -2.333 -6.314 1.00 63.44 C ATOM 726 C PHE A 49 -4.216 -2.816 -4.897 1.00 22.53 C ATOM 727 O PHE A 49 -3.068 -2.879 -4.445 1.00 62.13 O ATOM 728 CB PHE A 49 -4.430 -3.519 -7.283 1.00 12.33 C ATOM 729 CG PHE A 49 -3.080 -4.181 -7.384 1.00 22.44 C ATOM 730 CD1 PHE A 49 -2.698 -5.143 -6.465 1.00 71.21 C ATOM 731 CD2 PHE A 49 -2.198 -3.844 -8.396 1.00 74.13 C ATOM 732 CE1 PHE A 49 -1.464 -5.757 -6.550 1.00 3.54 C ATOM 733 CE2 PHE A 49 -0.961 -4.455 -8.486 1.00 64.52 C ATOM 734 CZ PHE A 49 -0.593 -5.411 -7.562 1.00 5.10 C ATOM 0 H PHE A 49 -2.528 -1.731 -6.813 1.00 3.21 H new ATOM 0 HA PHE A 49 -5.447 -1.863 -6.352 1.00 63.44 H new ATOM 0 HB2 PHE A 49 -5.164 -4.259 -6.964 1.00 12.33 H new ATOM 0 HB3 PHE A 49 -4.732 -3.177 -8.273 1.00 12.33 H new ATOM 0 HD1 PHE A 49 -3.375 -5.417 -5.670 1.00 71.21 H new ATOM 0 HD2 PHE A 49 -2.479 -3.096 -9.123 1.00 74.13 H new ATOM 0 HE1 PHE A 49 -1.181 -6.507 -5.826 1.00 3.54 H new ATOM 0 HE2 PHE A 49 -0.282 -4.183 -9.281 1.00 64.52 H new ATOM 0 HZ PHE A 49 0.374 -5.887 -7.631 1.00 5.10 H new ATOM 744 N ASP A 50 -5.275 -3.139 -4.185 1.00 3.12 N ATOM 745 CA ASP A 50 -5.122 -3.764 -2.889 1.00 33.41 C ATOM 746 C ASP A 50 -5.385 -5.261 -3.006 1.00 55.21 C ATOM 747 O ASP A 50 -5.990 -5.721 -3.976 1.00 73.50 O ATOM 748 CB ASP A 50 -6.041 -3.127 -1.852 1.00 42.53 C ATOM 749 CG ASP A 50 -5.607 -3.466 -0.445 1.00 11.11 C ATOM 750 OD1 ASP A 50 -4.432 -3.850 -0.267 1.00 24.30 O ATOM 751 OD2 ASP A 50 -6.430 -3.346 0.482 1.00 51.34 O ATOM 0 H ASP A 50 -6.240 -2.982 -4.477 1.00 3.12 H new ATOM 0 HA ASP A 50 -4.098 -3.610 -2.549 1.00 33.41 H new ATOM 0 HB2 ASP A 50 -6.043 -2.045 -1.982 1.00 42.53 H new ATOM 0 HB3 ASP A 50 -7.063 -3.470 -2.011 1.00 42.53 H new ATOM 756 N VAL A 51 -4.920 -6.022 -2.033 1.00 62.54 N ATOM 757 CA VAL A 51 -4.979 -7.468 -2.121 1.00 31.21 C ATOM 758 C VAL A 51 -5.991 -8.043 -1.146 1.00 11.13 C ATOM 759 O VAL A 51 -5.876 -7.861 0.065 1.00 4.52 O ATOM 760 CB VAL A 51 -3.599 -8.100 -1.858 1.00 3.30 C ATOM 761 CG1 VAL A 51 -3.669 -9.618 -1.941 1.00 13.45 C ATOM 762 CG2 VAL A 51 -2.575 -7.560 -2.840 1.00 1.11 C ATOM 0 H VAL A 51 -4.499 -5.664 -1.176 1.00 62.54 H new ATOM 0 HA VAL A 51 -5.293 -7.710 -3.136 1.00 31.21 H new ATOM 0 HB VAL A 51 -3.289 -7.832 -0.848 1.00 3.30 H new ATOM 0 HG11 VAL A 51 -2.681 -10.039 -1.751 1.00 13.45 H new ATOM 0 HG12 VAL A 51 -4.372 -9.991 -1.196 1.00 13.45 H new ATOM 0 HG13 VAL A 51 -4.004 -9.913 -2.935 1.00 13.45 H new ATOM 0 HG21 VAL A 51 -1.605 -8.016 -2.642 1.00 1.11 H new ATOM 0 HG22 VAL A 51 -2.886 -7.797 -3.857 1.00 1.11 H new ATOM 0 HG23 VAL A 51 -2.498 -6.479 -2.727 1.00 1.11 H new ATOM 772 N GLU A 52 -6.986 -8.725 -1.685 1.00 24.23 N ATOM 773 CA GLU A 52 -7.942 -9.447 -0.869 1.00 65.32 C ATOM 774 C GLU A 52 -7.740 -10.943 -1.071 1.00 3.15 C ATOM 775 O GLU A 52 -7.978 -11.468 -2.157 1.00 42.01 O ATOM 776 CB GLU A 52 -9.373 -9.038 -1.226 1.00 33.10 C ATOM 777 CG GLU A 52 -10.426 -9.667 -0.329 1.00 51.04 C ATOM 778 CD GLU A 52 -11.783 -9.017 -0.485 1.00 20.43 C ATOM 779 OE1 GLU A 52 -11.939 -7.856 -0.045 1.00 63.14 O ATOM 780 OE2 GLU A 52 -12.705 -9.663 -1.026 1.00 73.21 O ATOM 0 H GLU A 52 -7.152 -8.793 -2.689 1.00 24.23 H new ATOM 0 HA GLU A 52 -7.781 -9.202 0.181 1.00 65.32 H new ATOM 0 HB2 GLU A 52 -9.458 -7.953 -1.166 1.00 33.10 H new ATOM 0 HB3 GLU A 52 -9.575 -9.317 -2.260 1.00 33.10 H new ATOM 0 HG2 GLU A 52 -10.507 -10.729 -0.559 1.00 51.04 H new ATOM 0 HG3 GLU A 52 -10.107 -9.589 0.710 1.00 51.04 H new ATOM 787 N GLU A 53 -7.259 -11.619 -0.040 1.00 34.45 N ATOM 788 CA GLU A 53 -6.980 -13.044 -0.137 1.00 64.52 C ATOM 789 C GLU A 53 -8.251 -13.869 -0.244 1.00 12.11 C ATOM 790 O GLU A 53 -9.237 -13.617 0.453 1.00 0.12 O ATOM 791 CB GLU A 53 -6.174 -13.528 1.063 1.00 1.14 C ATOM 792 CG GLU A 53 -4.711 -13.140 1.020 1.00 72.03 C ATOM 793 CD GLU A 53 -3.887 -13.971 1.977 1.00 31.23 C ATOM 794 OE1 GLU A 53 -3.514 -15.104 1.611 1.00 72.13 O ATOM 795 OE2 GLU A 53 -3.634 -13.508 3.106 1.00 22.20 O ATOM 0 H GLU A 53 -7.054 -11.207 0.870 1.00 34.45 H new ATOM 0 HA GLU A 53 -6.399 -13.182 -1.049 1.00 64.52 H new ATOM 0 HB2 GLU A 53 -6.619 -13.126 1.973 1.00 1.14 H new ATOM 0 HB3 GLU A 53 -6.250 -14.614 1.124 1.00 1.14 H new ATOM 0 HG2 GLU A 53 -4.330 -13.266 0.007 1.00 72.03 H new ATOM 0 HG3 GLU A 53 -4.606 -12.084 1.271 1.00 72.03 H new ATOM 802 N GLY A 54 -8.213 -14.844 -1.132 1.00 63.52 N ATOM 803 CA GLY A 54 -9.259 -15.831 -1.216 1.00 74.42 C ATOM 804 C GLY A 54 -8.694 -17.206 -0.952 1.00 61.11 C ATOM 805 O GLY A 54 -7.626 -17.330 -0.347 1.00 51.50 O ATOM 0 H GLY A 54 -7.460 -14.969 -1.808 1.00 63.52 H new ATOM 0 HA2 GLY A 54 -10.042 -15.605 -0.492 1.00 74.42 H new ATOM 0 HA3 GLY A 54 -9.720 -15.802 -2.203 1.00 74.42 H new ATOM 809 N GLN A 55 -9.377 -18.236 -1.412 1.00 14.43 N ATOM 810 CA GLN A 55 -8.906 -19.596 -1.210 1.00 60.45 C ATOM 811 C GLN A 55 -8.205 -20.110 -2.463 1.00 51.21 C ATOM 812 O GLN A 55 -7.347 -20.993 -2.393 1.00 32.43 O ATOM 813 CB GLN A 55 -10.067 -20.517 -0.835 1.00 1.23 C ATOM 814 CG GLN A 55 -9.624 -21.893 -0.364 1.00 61.50 C ATOM 815 CD GLN A 55 -10.783 -22.763 0.077 1.00 23.10 C ATOM 816 OE1 GLN A 55 -11.811 -22.266 0.536 1.00 72.24 O ATOM 817 NE2 GLN A 55 -10.621 -24.069 -0.047 1.00 4.23 N ATOM 0 H GLN A 55 -10.255 -18.160 -1.925 1.00 14.43 H new ATOM 0 HA GLN A 55 -8.190 -19.592 -0.389 1.00 60.45 H new ATOM 0 HB2 GLN A 55 -10.655 -20.045 -0.048 1.00 1.23 H new ATOM 0 HB3 GLN A 55 -10.723 -20.631 -1.698 1.00 1.23 H new ATOM 0 HG2 GLN A 55 -9.087 -22.393 -1.170 1.00 61.50 H new ATOM 0 HG3 GLN A 55 -8.924 -21.781 0.464 1.00 61.50 H new ATOM 0 HE21 GLN A 55 -9.753 -24.441 -0.433 1.00 4.23 H new ATOM 0 HE22 GLN A 55 -11.364 -24.705 0.243 1.00 4.23 H new ATOM 826 N ARG A 56 -8.569 -19.553 -3.610 1.00 35.31 N ATOM 827 CA ARG A 56 -7.949 -19.938 -4.871 1.00 55.44 C ATOM 828 C ARG A 56 -6.851 -18.964 -5.263 1.00 21.11 C ATOM 829 O ARG A 56 -6.145 -19.175 -6.249 1.00 54.52 O ATOM 830 CB ARG A 56 -8.985 -20.031 -5.990 1.00 51.22 C ATOM 831 CG ARG A 56 -9.703 -21.368 -6.046 1.00 60.42 C ATOM 832 CD ARG A 56 -8.710 -22.523 -6.108 1.00 0.33 C ATOM 833 NE ARG A 56 -7.694 -22.319 -7.141 1.00 53.22 N ATOM 834 CZ ARG A 56 -6.388 -22.523 -6.958 1.00 1.01 C ATOM 835 NH1 ARG A 56 -5.924 -22.986 -5.800 1.00 40.35 N ATOM 836 NH2 ARG A 56 -5.544 -22.255 -7.941 1.00 65.13 N ATOM 0 H ARG A 56 -9.289 -18.835 -3.694 1.00 35.31 H new ATOM 0 HA ARG A 56 -7.505 -20.923 -4.725 1.00 55.44 H new ATOM 0 HB2 ARG A 56 -9.721 -19.238 -5.858 1.00 51.22 H new ATOM 0 HB3 ARG A 56 -8.492 -19.853 -6.946 1.00 51.22 H new ATOM 0 HG2 ARG A 56 -10.340 -21.479 -5.169 1.00 60.42 H new ATOM 0 HG3 ARG A 56 -10.355 -21.398 -6.919 1.00 60.42 H new ATOM 0 HD2 ARG A 56 -8.224 -22.635 -5.139 1.00 0.33 H new ATOM 0 HD3 ARG A 56 -9.246 -23.451 -6.305 1.00 0.33 H new ATOM 0 HE ARG A 56 -8.004 -22.001 -8.059 1.00 53.22 H new ATOM 0 HH11 ARG A 56 -6.569 -23.190 -5.037 1.00 40.35 H new ATOM 0 HH12 ARG A 56 -4.923 -23.137 -5.675 1.00 40.35 H new ATOM 0 HH21 ARG A 56 -5.893 -21.896 -8.829 1.00 65.13 H new ATOM 0 HH22 ARG A 56 -4.544 -22.408 -7.810 1.00 65.13 H new ATOM 850 N GLY A 57 -6.709 -17.902 -4.490 1.00 63.34 N ATOM 851 CA GLY A 57 -5.674 -16.931 -4.757 1.00 11.20 C ATOM 852 C GLY A 57 -6.052 -15.545 -4.286 1.00 42.42 C ATOM 853 O GLY A 57 -7.133 -15.351 -3.727 1.00 42.21 O ATOM 0 H GLY A 57 -7.294 -17.695 -3.680 1.00 63.34 H new ATOM 0 HA2 GLY A 57 -4.752 -17.241 -4.264 1.00 11.20 H new ATOM 0 HA3 GLY A 57 -5.470 -16.906 -5.827 1.00 11.20 H new ATOM 857 N PRO A 58 -5.172 -14.561 -4.488 1.00 70.10 N ATOM 858 CA PRO A 58 -5.418 -13.184 -4.106 1.00 45.53 C ATOM 859 C PRO A 58 -6.142 -12.405 -5.197 1.00 14.53 C ATOM 860 O PRO A 58 -5.636 -12.252 -6.313 1.00 53.35 O ATOM 861 CB PRO A 58 -4.011 -12.613 -3.887 1.00 52.53 C ATOM 862 CG PRO A 58 -3.047 -13.635 -4.417 1.00 44.22 C ATOM 863 CD PRO A 58 -3.851 -14.709 -5.097 1.00 74.10 C ATOM 0 HA PRO A 58 -6.060 -13.115 -3.228 1.00 45.53 H new ATOM 0 HB2 PRO A 58 -3.893 -11.662 -4.407 1.00 52.53 H new ATOM 0 HB3 PRO A 58 -3.831 -12.422 -2.829 1.00 52.53 H new ATOM 0 HG2 PRO A 58 -2.350 -13.176 -5.118 1.00 44.22 H new ATOM 0 HG3 PRO A 58 -2.452 -14.057 -3.607 1.00 44.22 H new ATOM 0 HD2 PRO A 58 -3.885 -14.566 -6.177 1.00 74.10 H new ATOM 0 HD3 PRO A 58 -3.433 -15.700 -4.920 1.00 74.10 H new ATOM 871 N GLN A 59 -7.325 -11.914 -4.873 1.00 75.20 N ATOM 872 CA GLN A 59 -8.085 -11.113 -5.811 1.00 5.15 C ATOM 873 C GLN A 59 -7.828 -9.634 -5.555 1.00 54.23 C ATOM 874 O GLN A 59 -7.830 -9.178 -4.409 1.00 63.33 O ATOM 875 CB GLN A 59 -9.584 -11.426 -5.724 1.00 13.32 C ATOM 876 CG GLN A 59 -10.174 -11.290 -4.329 1.00 13.01 C ATOM 877 CD GLN A 59 -11.674 -11.501 -4.302 1.00 24.14 C ATOM 878 OE1 GLN A 59 -12.157 -12.624 -4.139 1.00 63.50 O ATOM 879 NE2 GLN A 59 -12.422 -10.420 -4.458 1.00 22.51 N ATOM 0 H GLN A 59 -7.778 -12.056 -3.970 1.00 75.20 H new ATOM 0 HA GLN A 59 -7.756 -11.361 -6.820 1.00 5.15 H new ATOM 0 HB2 GLN A 59 -10.122 -10.760 -6.399 1.00 13.32 H new ATOM 0 HB3 GLN A 59 -9.752 -12.443 -6.079 1.00 13.32 H new ATOM 0 HG2 GLN A 59 -9.698 -12.013 -3.666 1.00 13.01 H new ATOM 0 HG3 GLN A 59 -9.944 -10.299 -3.937 1.00 13.01 H new ATOM 0 HE21 GLN A 59 -11.981 -9.510 -4.590 1.00 22.51 H new ATOM 0 HE22 GLN A 59 -13.439 -10.497 -4.446 1.00 22.51 H new ATOM 888 N ALA A 60 -7.583 -8.893 -6.621 1.00 40.34 N ATOM 889 CA ALA A 60 -7.299 -7.475 -6.509 1.00 23.40 C ATOM 890 C ALA A 60 -8.574 -6.689 -6.248 1.00 31.33 C ATOM 891 O ALA A 60 -9.462 -6.618 -7.103 1.00 31.31 O ATOM 892 CB ALA A 60 -6.603 -6.970 -7.764 1.00 21.10 C ATOM 0 H ALA A 60 -7.575 -9.252 -7.576 1.00 40.34 H new ATOM 0 HA ALA A 60 -6.630 -7.326 -5.662 1.00 23.40 H new ATOM 0 HB1 ALA A 60 -6.398 -5.904 -7.662 1.00 21.10 H new ATOM 0 HB2 ALA A 60 -5.666 -7.509 -7.902 1.00 21.10 H new ATOM 0 HB3 ALA A 60 -7.247 -7.135 -8.628 1.00 21.10 H new ATOM 898 N ALA A 61 -8.663 -6.129 -5.053 1.00 21.45 N ATOM 899 CA ALA A 61 -9.780 -5.285 -4.668 1.00 5.00 C ATOM 900 C ALA A 61 -9.284 -3.863 -4.482 1.00 54.12 C ATOM 901 O ALA A 61 -8.110 -3.664 -4.175 1.00 5.33 O ATOM 902 CB ALA A 61 -10.425 -5.798 -3.389 1.00 25.41 C ATOM 0 H ALA A 61 -7.961 -6.247 -4.322 1.00 21.45 H new ATOM 0 HA ALA A 61 -10.536 -5.306 -5.453 1.00 5.00 H new ATOM 0 HB1 ALA A 61 -11.260 -5.152 -3.118 1.00 25.41 H new ATOM 0 HB2 ALA A 61 -10.789 -6.813 -3.547 1.00 25.41 H new ATOM 0 HB3 ALA A 61 -9.689 -5.797 -2.585 1.00 25.41 H new ATOM 908 N ASN A 62 -10.168 -2.886 -4.669 1.00 22.51 N ATOM 909 CA ASN A 62 -9.781 -1.477 -4.614 1.00 64.33 C ATOM 910 C ASN A 62 -8.600 -1.215 -5.543 1.00 24.44 C ATOM 911 O ASN A 62 -7.447 -1.132 -5.107 1.00 44.40 O ATOM 912 CB ASN A 62 -9.439 -1.038 -3.181 1.00 13.32 C ATOM 913 CG ASN A 62 -10.655 -0.989 -2.274 1.00 40.22 C ATOM 914 OD1 ASN A 62 -11.776 -0.763 -2.729 1.00 42.24 O ATOM 915 ND2 ASN A 62 -10.443 -1.186 -0.983 1.00 11.51 N ATOM 0 H ASN A 62 -11.158 -3.043 -4.860 1.00 22.51 H new ATOM 0 HA ASN A 62 -10.635 -0.887 -4.947 1.00 64.33 H new ATOM 0 HB2 ASN A 62 -8.706 -1.726 -2.761 1.00 13.32 H new ATOM 0 HB3 ASN A 62 -8.973 -0.053 -3.209 1.00 13.32 H new ATOM 0 HD21 ASN A 62 -11.224 -1.153 -0.327 1.00 11.51 H new ATOM 0 HD22 ASN A 62 -9.499 -1.371 -0.644 1.00 11.51 H new ATOM 922 N VAL A 63 -8.891 -1.133 -6.832 1.00 40.25 N ATOM 923 CA VAL A 63 -7.861 -0.894 -7.826 1.00 5.33 C ATOM 924 C VAL A 63 -8.005 0.503 -8.404 1.00 62.53 C ATOM 925 O VAL A 63 -8.931 0.783 -9.170 1.00 64.43 O ATOM 926 CB VAL A 63 -7.913 -1.932 -8.961 1.00 44.12 C ATOM 927 CG1 VAL A 63 -6.744 -1.747 -9.916 1.00 51.41 C ATOM 928 CG2 VAL A 63 -7.924 -3.340 -8.390 1.00 72.10 C ATOM 0 H VAL A 63 -9.833 -1.229 -7.212 1.00 40.25 H new ATOM 0 HA VAL A 63 -6.896 -0.987 -7.327 1.00 5.33 H new ATOM 0 HB VAL A 63 -8.834 -1.781 -9.523 1.00 44.12 H new ATOM 0 HG11 VAL A 63 -6.801 -2.492 -10.710 1.00 51.41 H new ATOM 0 HG12 VAL A 63 -6.784 -0.748 -10.351 1.00 51.41 H new ATOM 0 HG13 VAL A 63 -5.807 -1.868 -9.372 1.00 51.41 H new ATOM 0 HG21 VAL A 63 -7.961 -4.063 -9.205 1.00 72.10 H new ATOM 0 HG22 VAL A 63 -7.020 -3.501 -7.802 1.00 72.10 H new ATOM 0 HG23 VAL A 63 -8.799 -3.467 -7.752 1.00 72.10 H new ATOM 938 N GLN A 64 -7.092 1.374 -8.016 1.00 65.34 N ATOM 939 CA GLN A 64 -7.118 2.767 -8.426 1.00 22.12 C ATOM 940 C GLN A 64 -6.149 2.993 -9.581 1.00 22.30 C ATOM 941 O GLN A 64 -5.457 2.066 -10.008 1.00 41.42 O ATOM 942 CB GLN A 64 -6.746 3.657 -7.243 1.00 13.34 C ATOM 943 CG GLN A 64 -7.594 3.400 -6.005 1.00 75.11 C ATOM 944 CD GLN A 64 -6.826 3.564 -4.702 1.00 53.34 C ATOM 945 OE1 GLN A 64 -7.385 3.987 -3.693 1.00 64.42 O ATOM 946 NE2 GLN A 64 -5.553 3.190 -4.697 1.00 21.10 N ATOM 0 H GLN A 64 -6.310 1.136 -7.406 1.00 65.34 H new ATOM 0 HA GLN A 64 -8.123 3.022 -8.762 1.00 22.12 H new ATOM 0 HB2 GLN A 64 -5.696 3.499 -6.995 1.00 13.34 H new ATOM 0 HB3 GLN A 64 -6.851 4.702 -7.536 1.00 13.34 H new ATOM 0 HG2 GLN A 64 -8.443 4.084 -6.007 1.00 75.11 H new ATOM 0 HG3 GLN A 64 -7.999 2.389 -6.055 1.00 75.11 H new ATOM 0 HE21 GLN A 64 -5.120 2.843 -5.553 1.00 21.10 H new ATOM 0 HE22 GLN A 64 -5.007 3.249 -3.837 1.00 21.10 H new ATOM 955 N LYS A 65 -6.092 4.221 -10.078 1.00 2.32 N ATOM 956 CA LYS A 65 -5.227 4.547 -11.203 1.00 52.30 C ATOM 957 C LYS A 65 -3.843 4.962 -10.713 1.00 51.25 C ATOM 958 O LYS A 65 -3.701 5.513 -9.620 1.00 42.23 O ATOM 959 CB LYS A 65 -5.840 5.670 -12.046 1.00 45.32 C ATOM 960 CG LYS A 65 -7.242 5.365 -12.556 1.00 34.24 C ATOM 961 CD LYS A 65 -7.736 6.452 -13.497 1.00 11.30 C ATOM 962 CE LYS A 65 -9.158 6.194 -13.974 1.00 25.14 C ATOM 963 NZ LYS A 65 -10.175 6.517 -12.935 1.00 15.22 N ATOM 0 H LYS A 65 -6.634 5.007 -9.720 1.00 2.32 H new ATOM 0 HA LYS A 65 -5.128 3.656 -11.823 1.00 52.30 H new ATOM 0 HB2 LYS A 65 -5.871 6.582 -11.450 1.00 45.32 H new ATOM 0 HB3 LYS A 65 -5.189 5.868 -12.898 1.00 45.32 H new ATOM 0 HG2 LYS A 65 -7.242 4.406 -13.073 1.00 34.24 H new ATOM 0 HG3 LYS A 65 -7.926 5.273 -11.712 1.00 34.24 H new ATOM 0 HD2 LYS A 65 -7.693 7.416 -12.990 1.00 11.30 H new ATOM 0 HD3 LYS A 65 -7.071 6.515 -14.358 1.00 11.30 H new ATOM 0 HE2 LYS A 65 -9.352 6.790 -14.866 1.00 25.14 H new ATOM 0 HE3 LYS A 65 -9.257 5.147 -14.262 1.00 25.14 H new ATOM 0 HZ1 LYS A 65 -11.125 6.488 -13.358 1.00 15.22 H new ATOM 0 HZ2 LYS A 65 -10.118 5.821 -12.165 1.00 15.22 H new ATOM 0 HZ3 LYS A 65 -9.994 7.468 -12.556 1.00 15.22 H new ATOM 977 N ALA A 66 -2.830 4.686 -11.521 1.00 31.21 N ATOM 978 CA ALA A 66 -1.466 5.074 -11.211 1.00 51.33 C ATOM 979 C ALA A 66 -0.739 5.454 -12.493 1.00 73.13 C ATOM 980 O ALA A 66 -1.310 5.223 -13.582 1.00 61.14 O ATOM 981 CB ALA A 66 -0.737 3.950 -10.487 1.00 1.41 C ATOM 982 OXT ALA A 66 0.378 6.003 -12.414 1.00 0.00 O ATOM 0 H ALA A 66 -2.932 4.189 -12.406 1.00 31.21 H new ATOM 0 HA ALA A 66 -1.485 5.938 -10.547 1.00 51.33 H new ATOM 0 HB1 ALA A 66 0.283 4.262 -10.264 1.00 1.41 H new ATOM 0 HB2 ALA A 66 -1.257 3.719 -9.557 1.00 1.41 H new ATOM 0 HB3 ALA A 66 -0.715 3.063 -11.121 1.00 1.41 H new TER 988 ALA A 66