USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 392 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 7 ASN : amide:sc= -1.25 X(o=-1.8,f=-2.2) USER MOD Set 1.2: A 53 ASN : amide:sc= -0.526 K(o=-1.8,f=-3.6!) USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.11 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00226 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 85:sc= -0.184 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0124 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HD1:sc= -3.15 K(o=-3.2,f=-4.6) USER MOD Single : A 27 HIS : no HD1:sc= -1.28 X(o=-1.3,f=-1.3) USER MOD Single : A 29 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.24) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN :FLIP amide:sc= -1.36 F(o=-2.2,f=-1.4) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.0271 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= 1.21 (180deg=1.12) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.668 -1.720 0.814 1.00 3.03 N ATOM 2 CA GLY A 1 -4.913 -0.363 1.267 1.00 74.21 C ATOM 3 C GLY A 1 -5.526 0.506 0.187 1.00 41.32 C ATOM 4 O GLY A 1 -5.776 0.044 -0.927 1.00 24.31 O ATOM 0 H1 GLY A 1 -5.192 -2.387 1.416 1.00 3.03 H new ATOM 0 H2 GLY A 1 -4.985 -1.820 -0.171 1.00 3.03 H new ATOM 0 H3 GLY A 1 -3.651 -1.927 0.872 1.00 3.03 H new ATOM 0 HA2 GLY A 1 -5.577 -0.386 2.131 1.00 74.21 H new ATOM 0 HA3 GLY A 1 -3.974 0.082 1.598 1.00 74.21 H new ATOM 8 N THR A 2 -5.771 1.771 0.515 1.00 10.04 N ATOM 9 CA THR A 2 -6.361 2.707 -0.434 1.00 22.33 C ATOM 10 C THR A 2 -5.378 3.814 -0.798 1.00 21.44 C ATOM 11 O THR A 2 -4.416 4.084 -0.078 1.00 61.34 O ATOM 12 CB THR A 2 -7.646 3.342 0.129 1.00 75.21 C ATOM 13 OG1 THR A 2 -7.601 3.355 1.560 1.00 5.40 O ATOM 14 CG2 THR A 2 -8.876 2.577 -0.337 1.00 14.21 C ATOM 0 H THR A 2 -5.570 2.171 1.431 1.00 10.04 H new ATOM 0 HA THR A 2 -6.608 2.136 -1.329 1.00 22.33 H new ATOM 0 HB THR A 2 -7.711 4.365 -0.241 1.00 75.21 H new ATOM 0 HG1 THR A 2 -8.421 3.762 1.909 1.00 5.40 H new ATOM 0 HG21 THR A 2 -9.772 3.044 0.073 1.00 14.21 H new ATOM 0 HG22 THR A 2 -8.924 2.594 -1.426 1.00 14.21 H new ATOM 0 HG23 THR A 2 -8.815 1.545 0.008 1.00 14.21 H new ATOM 22 N PRO A 3 -5.623 4.472 -1.940 1.00 71.54 N ATOM 23 CA PRO A 3 -4.771 5.561 -2.425 1.00 3.31 C ATOM 24 C PRO A 3 -4.887 6.815 -1.564 1.00 24.50 C ATOM 25 O PRO A 3 -5.875 7.003 -0.854 1.00 25.01 O ATOM 26 CB PRO A 3 -5.305 5.829 -3.834 1.00 45.52 C ATOM 27 CG PRO A 3 -6.721 5.368 -3.797 1.00 44.10 C ATOM 28 CD PRO A 3 -6.752 4.203 -2.847 1.00 64.33 C ATOM 0 HA PRO A 3 -3.714 5.294 -2.398 1.00 3.31 H new ATOM 0 HB2 PRO A 3 -5.240 6.887 -4.087 1.00 45.52 H new ATOM 0 HB3 PRO A 3 -4.731 5.286 -4.585 1.00 45.52 H new ATOM 0 HG2 PRO A 3 -7.382 6.165 -3.458 1.00 44.10 H new ATOM 0 HG3 PRO A 3 -7.061 5.072 -4.789 1.00 44.10 H new ATOM 0 HD2 PRO A 3 -7.697 4.150 -2.307 1.00 64.33 H new ATOM 0 HD3 PRO A 3 -6.630 3.255 -3.370 1.00 64.33 H new ATOM 36 N VAL A 4 -3.871 7.670 -1.632 1.00 32.31 N ATOM 37 CA VAL A 4 -3.860 8.906 -0.860 1.00 12.34 C ATOM 38 C VAL A 4 -3.877 10.126 -1.774 1.00 65.35 C ATOM 39 O VAL A 4 -3.743 10.004 -2.991 1.00 72.34 O ATOM 40 CB VAL A 4 -2.626 8.984 0.059 1.00 60.44 C ATOM 41 CG1 VAL A 4 -2.632 7.838 1.059 1.00 20.11 C ATOM 42 CG2 VAL A 4 -1.348 8.976 -0.766 1.00 24.41 C ATOM 0 H VAL A 4 -3.045 7.529 -2.214 1.00 32.31 H new ATOM 0 HA VAL A 4 -4.761 8.903 -0.246 1.00 12.34 H new ATOM 0 HB VAL A 4 -2.667 9.920 0.616 1.00 60.44 H new ATOM 0 HG11 VAL A 4 -1.753 7.909 1.700 1.00 20.11 H new ATOM 0 HG12 VAL A 4 -3.532 7.894 1.671 1.00 20.11 H new ATOM 0 HG13 VAL A 4 -2.615 6.888 0.524 1.00 20.11 H new ATOM 0 HG21 VAL A 4 -0.486 9.032 -0.102 1.00 24.41 H new ATOM 0 HG22 VAL A 4 -1.298 8.057 -1.350 1.00 24.41 H new ATOM 0 HG23 VAL A 4 -1.344 9.834 -1.439 1.00 24.41 H new ATOM 52 N GLY A 5 -4.041 11.303 -1.179 1.00 44.43 N ATOM 53 CA GLY A 5 -4.071 12.529 -1.956 1.00 11.14 C ATOM 54 C GLY A 5 -5.408 12.753 -2.633 1.00 54.21 C ATOM 55 O GLY A 5 -5.932 11.861 -3.298 1.00 61.43 O ATOM 0 H GLY A 5 -4.154 11.430 -0.173 1.00 44.43 H new ATOM 0 HA2 GLY A 5 -3.851 13.374 -1.304 1.00 11.14 H new ATOM 0 HA3 GLY A 5 -3.286 12.496 -2.711 1.00 11.14 H new ATOM 59 N ASN A 6 -5.963 13.949 -2.463 1.00 34.24 N ATOM 60 CA ASN A 6 -7.250 14.287 -3.061 1.00 64.32 C ATOM 61 C ASN A 6 -7.149 14.320 -4.583 1.00 53.22 C ATOM 62 O ASN A 6 -8.048 13.858 -5.285 1.00 1.22 O ATOM 63 CB ASN A 6 -7.738 15.640 -2.541 1.00 42.32 C ATOM 64 CG ASN A 6 -8.657 15.502 -1.343 1.00 4.03 C ATOM 65 OD1 ASN A 6 -9.805 15.079 -1.473 1.00 14.02 O ATOM 66 ND2 ASN A 6 -8.153 15.859 -0.167 1.00 51.50 N ATOM 0 H ASN A 6 -5.542 14.700 -1.916 1.00 34.24 H new ATOM 0 HA ASN A 6 -7.968 13.517 -2.778 1.00 64.32 H new ATOM 0 HB2 ASN A 6 -6.879 16.252 -2.268 1.00 42.32 H new ATOM 0 HB3 ASN A 6 -8.263 16.165 -3.339 1.00 42.32 H new ATOM 0 HD21 ASN A 6 -8.724 15.788 0.675 1.00 51.50 H new ATOM 0 HD22 ASN A 6 -7.195 16.205 -0.106 1.00 51.50 H new ATOM 73 N ASN A 7 -6.049 14.870 -5.086 1.00 43.02 N ATOM 74 CA ASN A 7 -5.830 14.964 -6.525 1.00 73.01 C ATOM 75 C ASN A 7 -6.028 13.608 -7.195 1.00 73.41 C ATOM 76 O ASN A 7 -5.318 12.647 -6.899 1.00 62.41 O ATOM 77 CB ASN A 7 -4.422 15.488 -6.815 1.00 73.11 C ATOM 78 CG ASN A 7 -4.269 16.956 -6.469 1.00 53.40 C ATOM 79 OD1 ASN A 7 -3.815 17.305 -5.379 1.00 34.41 O ATOM 80 ND2 ASN A 7 -4.649 17.826 -7.398 1.00 63.23 N ATOM 0 H ASN A 7 -5.295 15.257 -4.519 1.00 43.02 H new ATOM 0 HA ASN A 7 -6.561 15.662 -6.934 1.00 73.01 H new ATOM 0 HB2 ASN A 7 -3.696 14.906 -6.247 1.00 73.11 H new ATOM 0 HB3 ASN A 7 -4.193 15.340 -7.870 1.00 73.11 H new ATOM 0 HD21 ASN A 7 -4.570 18.828 -7.222 1.00 63.23 H new ATOM 0 HD22 ASN A 7 -5.020 17.493 -8.288 1.00 63.23 H new ATOM 87 N LYS A 8 -6.998 13.537 -8.100 1.00 54.12 N ATOM 88 CA LYS A 8 -7.290 12.300 -8.815 1.00 12.11 C ATOM 89 C LYS A 8 -6.120 11.898 -9.707 1.00 21.24 C ATOM 90 O LYS A 8 -5.829 10.712 -9.869 1.00 4.41 O ATOM 91 CB LYS A 8 -8.557 12.461 -9.659 1.00 45.21 C ATOM 92 CG LYS A 8 -9.840 12.227 -8.881 1.00 61.13 C ATOM 93 CD LYS A 8 -10.275 10.773 -8.948 1.00 61.52 C ATOM 94 CE LYS A 8 -11.114 10.386 -7.740 1.00 74.33 C ATOM 95 NZ LYS A 8 -12.193 9.424 -8.100 1.00 31.14 N ATOM 0 H LYS A 8 -7.596 14.323 -8.356 1.00 54.12 H new ATOM 0 HA LYS A 8 -7.449 11.513 -8.078 1.00 12.11 H new ATOM 0 HB2 LYS A 8 -8.577 13.465 -10.082 1.00 45.21 H new ATOM 0 HB3 LYS A 8 -8.517 11.764 -10.496 1.00 45.21 H new ATOM 0 HG2 LYS A 8 -9.694 12.516 -7.840 1.00 61.13 H new ATOM 0 HG3 LYS A 8 -10.630 12.863 -9.280 1.00 61.13 H new ATOM 0 HD2 LYS A 8 -10.849 10.605 -9.860 1.00 61.52 H new ATOM 0 HD3 LYS A 8 -9.396 10.131 -9.002 1.00 61.52 H new ATOM 0 HE2 LYS A 8 -10.472 9.943 -6.978 1.00 74.33 H new ATOM 0 HE3 LYS A 8 -11.556 11.281 -7.303 1.00 74.33 H new ATOM 0 HZ1 LYS A 8 -12.743 9.185 -7.250 1.00 31.14 H new ATOM 0 HZ2 LYS A 8 -12.821 9.855 -8.808 1.00 31.14 H new ATOM 0 HZ3 LYS A 8 -11.770 8.559 -8.494 1.00 31.14 H new ATOM 109 N CYS A 9 -5.451 12.892 -10.282 1.00 31.35 N ATOM 110 CA CYS A 9 -4.312 12.642 -11.156 1.00 4.21 C ATOM 111 C CYS A 9 -4.739 11.864 -12.397 1.00 65.31 C ATOM 112 O CYS A 9 -4.660 10.636 -12.429 1.00 71.43 O ATOM 113 CB CYS A 9 -3.225 11.870 -10.405 1.00 32.12 C ATOM 114 SG CYS A 9 -1.531 12.239 -10.962 1.00 65.33 S ATOM 0 H CYS A 9 -5.679 13.879 -10.158 1.00 31.35 H new ATOM 0 HA CYS A 9 -3.911 13.605 -11.473 1.00 4.21 H new ATOM 0 HB2 CYS A 9 -3.303 12.095 -9.341 1.00 32.12 H new ATOM 0 HB3 CYS A 9 -3.409 10.802 -10.519 1.00 32.12 H new ATOM 119 N TRP A 10 -5.190 12.587 -13.416 1.00 24.25 N ATOM 120 CA TRP A 10 -5.629 11.964 -14.659 1.00 42.23 C ATOM 121 C TRP A 10 -4.435 11.551 -15.512 1.00 63.15 C ATOM 122 O TRP A 10 -3.290 11.606 -15.063 1.00 35.11 O ATOM 123 CB TRP A 10 -6.525 12.923 -15.445 1.00 31.02 C ATOM 124 CG TRP A 10 -7.836 12.317 -15.845 1.00 70.03 C ATOM 125 CD1 TRP A 10 -8.398 12.328 -17.090 1.00 42.11 C ATOM 126 CD2 TRP A 10 -8.749 11.613 -14.997 1.00 73.51 C ATOM 127 NE1 TRP A 10 -9.605 11.673 -17.067 1.00 35.03 N ATOM 128 CE2 TRP A 10 -9.843 11.224 -15.795 1.00 35.13 C ATOM 129 CE3 TRP A 10 -8.748 11.270 -13.642 1.00 55.42 C ATOM 130 CZ2 TRP A 10 -10.924 10.512 -15.280 1.00 1.51 C ATOM 131 CZ3 TRP A 10 -9.822 10.564 -13.133 1.00 3.52 C ATOM 132 CH2 TRP A 10 -10.897 10.191 -13.950 1.00 62.11 C ATOM 0 H TRP A 10 -5.261 13.604 -13.406 1.00 24.25 H new ATOM 0 HA TRP A 10 -6.198 11.069 -14.407 1.00 42.23 H new ATOM 0 HB2 TRP A 10 -6.712 13.811 -14.841 1.00 31.02 H new ATOM 0 HB3 TRP A 10 -5.997 13.252 -16.340 1.00 31.02 H new ATOM 0 HD1 TRP A 10 -7.958 12.785 -17.964 1.00 42.11 H new ATOM 0 HE1 TRP A 10 -10.224 11.542 -17.867 1.00 35.03 H new ATOM 0 HE3 TRP A 10 -7.923 11.551 -13.004 1.00 55.42 H new ATOM 0 HZ2 TRP A 10 -11.754 10.224 -15.908 1.00 1.51 H new ATOM 0 HZ3 TRP A 10 -9.832 10.295 -12.087 1.00 3.52 H new ATOM 0 HH2 TRP A 10 -11.721 9.639 -13.522 1.00 62.11 H new ATOM 143 N ALA A 11 -4.709 11.137 -16.745 1.00 44.34 N ATOM 144 CA ALA A 11 -3.656 10.717 -17.662 1.00 21.03 C ATOM 145 C ALA A 11 -2.978 11.920 -18.308 1.00 5.34 C ATOM 146 O ALA A 11 -3.643 12.796 -18.862 1.00 23.11 O ATOM 147 CB ALA A 11 -4.223 9.793 -18.729 1.00 30.41 C ATOM 0 H ALA A 11 -5.651 11.083 -17.132 1.00 44.34 H new ATOM 0 HA ALA A 11 -2.905 10.174 -17.088 1.00 21.03 H new ATOM 0 HB1 ALA A 11 -3.426 9.487 -19.407 1.00 30.41 H new ATOM 0 HB2 ALA A 11 -4.654 8.911 -18.255 1.00 30.41 H new ATOM 0 HB3 ALA A 11 -4.996 10.317 -19.291 1.00 30.41 H new ATOM 153 N ILE A 12 -1.652 11.957 -18.232 1.00 5.31 N ATOM 154 CA ILE A 12 -0.884 13.054 -18.810 1.00 32.42 C ATOM 155 C ILE A 12 -1.132 13.167 -20.310 1.00 51.02 C ATOM 156 O ILE A 12 -0.851 12.240 -21.068 1.00 72.32 O ATOM 157 CB ILE A 12 0.625 12.876 -18.562 1.00 65.13 C ATOM 158 CG1 ILE A 12 0.896 12.634 -17.076 1.00 33.12 C ATOM 159 CG2 ILE A 12 1.390 14.096 -19.053 1.00 51.14 C ATOM 160 CD1 ILE A 12 2.366 12.512 -16.741 1.00 12.10 C ATOM 0 H ILE A 12 -1.087 11.241 -17.776 1.00 5.31 H new ATOM 0 HA ILE A 12 -1.219 13.968 -18.319 1.00 32.42 H new ATOM 0 HB ILE A 12 0.969 12.006 -19.121 1.00 65.13 H new ATOM 0 HG12 ILE A 12 0.467 13.453 -16.499 1.00 33.12 H new ATOM 0 HG13 ILE A 12 0.384 11.723 -16.765 1.00 33.12 H new ATOM 0 HG21 ILE A 12 2.455 13.955 -18.871 1.00 51.14 H new ATOM 0 HG22 ILE A 12 1.219 14.227 -20.121 1.00 51.14 H new ATOM 0 HG23 ILE A 12 1.045 14.981 -18.519 1.00 51.14 H new ATOM 0 HD11 ILE A 12 2.482 12.342 -15.671 1.00 12.10 H new ATOM 0 HD12 ILE A 12 2.796 11.675 -17.291 1.00 12.10 H new ATOM 0 HD13 ILE A 12 2.880 13.432 -17.020 1.00 12.10 H new ATOM 172 N GLY A 13 -1.659 14.312 -20.733 1.00 12.44 N ATOM 173 CA GLY A 13 -1.934 14.527 -22.141 1.00 55.32 C ATOM 174 C GLY A 13 -3.419 14.612 -22.435 1.00 70.14 C ATOM 175 O GLY A 13 -3.824 15.085 -23.498 1.00 62.00 O ATOM 0 H GLY A 13 -1.900 15.095 -20.125 1.00 12.44 H new ATOM 0 HA2 GLY A 13 -1.449 15.447 -22.466 1.00 55.32 H new ATOM 0 HA3 GLY A 13 -1.498 13.714 -22.722 1.00 55.32 H new ATOM 179 N THR A 14 -4.235 14.151 -21.493 1.00 30.44 N ATOM 180 CA THR A 14 -5.683 14.173 -21.657 1.00 0.42 C ATOM 181 C THR A 14 -6.277 15.469 -21.116 1.00 73.21 C ATOM 182 O THR A 14 -5.578 16.279 -20.507 1.00 22.23 O ATOM 183 CB THR A 14 -6.348 12.980 -20.945 1.00 0.32 C ATOM 184 OG1 THR A 14 -5.363 11.994 -20.617 1.00 43.21 O ATOM 185 CG2 THR A 14 -7.424 12.358 -21.822 1.00 23.21 C ATOM 0 H THR A 14 -3.917 13.757 -20.607 1.00 30.44 H new ATOM 0 HA THR A 14 -5.881 14.104 -22.727 1.00 0.42 H new ATOM 0 HB THR A 14 -6.814 13.345 -20.030 1.00 0.32 H new ATOM 0 HG1 THR A 14 -4.941 12.224 -19.763 1.00 43.21 H new ATOM 0 HG21 THR A 14 -7.879 11.518 -21.298 1.00 23.21 H new ATOM 0 HG22 THR A 14 -8.187 13.103 -22.045 1.00 23.21 H new ATOM 0 HG23 THR A 14 -6.977 12.007 -22.752 1.00 23.21 H new ATOM 193 N THR A 15 -7.574 15.660 -21.342 1.00 25.52 N ATOM 194 CA THR A 15 -8.262 16.857 -20.878 1.00 11.14 C ATOM 195 C THR A 15 -8.528 16.792 -19.378 1.00 5.31 C ATOM 196 O THR A 15 -8.821 15.727 -18.834 1.00 71.04 O ATOM 197 CB THR A 15 -9.599 17.058 -21.616 1.00 0.32 C ATOM 198 OG1 THR A 15 -9.539 16.452 -22.912 1.00 1.42 O ATOM 199 CG2 THR A 15 -9.922 18.538 -21.757 1.00 10.13 C ATOM 0 H THR A 15 -8.168 15.000 -21.844 1.00 25.52 H new ATOM 0 HA THR A 15 -7.606 17.701 -21.092 1.00 11.14 H new ATOM 0 HB THR A 15 -10.387 16.585 -21.030 1.00 0.32 H new ATOM 0 HG1 THR A 15 -10.393 16.583 -23.374 1.00 1.42 H new ATOM 0 HG21 THR A 15 -10.870 18.655 -22.281 1.00 10.13 H new ATOM 0 HG22 THR A 15 -9.996 18.990 -20.768 1.00 10.13 H new ATOM 0 HG23 THR A 15 -9.131 19.031 -22.323 1.00 10.13 H new ATOM 207 N CYS A 16 -8.423 17.938 -18.713 1.00 53.12 N ATOM 208 CA CYS A 16 -8.652 18.012 -17.275 1.00 53.33 C ATOM 209 C CYS A 16 -10.118 18.308 -16.973 1.00 14.54 C ATOM 210 O CYS A 16 -10.923 18.509 -17.883 1.00 4.44 O ATOM 211 CB CYS A 16 -7.764 19.090 -16.651 1.00 65.21 C ATOM 212 SG CYS A 16 -8.019 20.756 -17.341 1.00 41.15 S ATOM 0 H CYS A 16 -8.181 18.828 -19.148 1.00 53.12 H new ATOM 0 HA CYS A 16 -8.397 17.045 -16.841 1.00 53.33 H new ATOM 0 HB2 CYS A 16 -7.949 19.121 -15.577 1.00 65.21 H new ATOM 0 HB3 CYS A 16 -6.720 18.808 -16.786 1.00 65.21 H new ATOM 217 N SER A 17 -10.458 18.334 -15.688 1.00 31.02 N ATOM 218 CA SER A 17 -11.828 18.602 -15.264 1.00 45.04 C ATOM 219 C SER A 17 -11.848 19.385 -13.955 1.00 40.23 C ATOM 220 O SER A 17 -12.859 19.418 -13.254 1.00 75.52 O ATOM 221 CB SER A 17 -12.599 17.291 -15.100 1.00 3.12 C ATOM 222 OG SER A 17 -12.891 16.710 -16.359 1.00 24.54 O ATOM 0 H SER A 17 -9.804 18.173 -14.922 1.00 31.02 H new ATOM 0 HA SER A 17 -12.310 19.204 -16.034 1.00 45.04 H new ATOM 0 HB2 SER A 17 -12.013 16.594 -14.501 1.00 3.12 H new ATOM 0 HB3 SER A 17 -13.526 17.476 -14.558 1.00 3.12 H new ATOM 0 HG SER A 17 -13.383 15.873 -16.227 1.00 24.54 H new ATOM 228 N ASP A 18 -10.724 20.015 -13.633 1.00 23.15 N ATOM 229 CA ASP A 18 -10.611 20.799 -12.408 1.00 51.33 C ATOM 230 C ASP A 18 -11.059 19.986 -11.198 1.00 75.34 C ATOM 231 O ASP A 18 -11.213 18.767 -11.280 1.00 33.12 O ATOM 232 CB ASP A 18 -11.445 22.077 -12.517 1.00 74.42 C ATOM 233 CG ASP A 18 -10.657 23.317 -12.146 1.00 24.25 C ATOM 234 OD1 ASP A 18 -9.664 23.187 -11.398 1.00 13.40 O ATOM 235 OD2 ASP A 18 -11.031 24.417 -12.603 1.00 21.32 O ATOM 0 H ASP A 18 -9.878 19.998 -14.203 1.00 23.15 H new ATOM 0 HA ASP A 18 -9.563 21.068 -12.274 1.00 51.33 H new ATOM 0 HB2 ASP A 18 -11.817 22.178 -13.536 1.00 74.42 H new ATOM 0 HB3 ASP A 18 -12.316 21.995 -11.866 1.00 74.42 H new ATOM 240 N ASP A 19 -11.266 20.668 -10.077 1.00 73.52 N ATOM 241 CA ASP A 19 -11.697 20.008 -8.850 1.00 10.32 C ATOM 242 C ASP A 19 -10.715 18.912 -8.448 1.00 43.41 C ATOM 243 O ASP A 19 -11.114 17.790 -8.135 1.00 42.34 O ATOM 244 CB ASP A 19 -13.096 19.416 -9.027 1.00 51.35 C ATOM 245 CG ASP A 19 -13.927 19.504 -7.762 1.00 42.23 C ATOM 246 OD1 ASP A 19 -13.424 19.099 -6.694 1.00 31.13 O ATOM 247 OD2 ASP A 19 -15.080 19.977 -7.841 1.00 51.40 O ATOM 0 H ASP A 19 -11.142 21.677 -9.992 1.00 73.52 H new ATOM 0 HA ASP A 19 -11.725 20.755 -8.057 1.00 10.32 H new ATOM 0 HB2 ASP A 19 -13.610 19.940 -9.833 1.00 51.35 H new ATOM 0 HB3 ASP A 19 -13.010 18.372 -9.330 1.00 51.35 H new ATOM 252 N CYS A 20 -9.428 19.245 -8.460 1.00 32.22 N ATOM 253 CA CYS A 20 -8.388 18.290 -8.099 1.00 22.45 C ATOM 254 C CYS A 20 -8.330 17.143 -9.104 1.00 25.25 C ATOM 255 O CYS A 20 -7.774 16.081 -8.818 1.00 55.55 O ATOM 256 CB CYS A 20 -8.638 17.739 -6.693 1.00 62.43 C ATOM 257 SG CYS A 20 -7.276 18.043 -5.522 1.00 70.12 S ATOM 0 H CYS A 20 -9.081 20.169 -8.716 1.00 32.22 H new ATOM 0 HA CYS A 20 -7.431 18.811 -8.113 1.00 22.45 H new ATOM 0 HB2 CYS A 20 -9.550 18.185 -6.296 1.00 62.43 H new ATOM 0 HB3 CYS A 20 -8.812 16.665 -6.761 1.00 62.43 H new ATOM 262 N ASP A 21 -8.906 17.365 -10.280 1.00 22.43 N ATOM 263 CA ASP A 21 -8.919 16.351 -11.328 1.00 43.01 C ATOM 264 C ASP A 21 -7.508 15.844 -11.611 1.00 70.01 C ATOM 265 O ASP A 21 -7.229 14.651 -11.488 1.00 72.10 O ATOM 266 CB ASP A 21 -9.536 16.918 -12.607 1.00 75.24 C ATOM 267 CG ASP A 21 -9.174 16.105 -13.835 1.00 32.13 C ATOM 268 OD1 ASP A 21 -8.069 16.312 -14.378 1.00 12.00 O ATOM 269 OD2 ASP A 21 -9.996 15.262 -14.252 1.00 41.15 O ATOM 0 H ASP A 21 -9.370 18.238 -10.532 1.00 22.43 H new ATOM 0 HA ASP A 21 -9.524 15.513 -10.982 1.00 43.01 H new ATOM 0 HB2 ASP A 21 -10.620 16.948 -12.501 1.00 75.24 H new ATOM 0 HB3 ASP A 21 -9.201 17.946 -12.744 1.00 75.24 H new ATOM 274 N CYS A 22 -6.622 16.758 -11.992 1.00 24.21 N ATOM 275 CA CYS A 22 -5.240 16.404 -12.294 1.00 40.33 C ATOM 276 C CYS A 22 -4.375 16.469 -11.039 1.00 63.00 C ATOM 277 O CYS A 22 -4.832 16.893 -9.977 1.00 72.13 O ATOM 278 CB CYS A 22 -4.675 17.340 -13.365 1.00 60.53 C ATOM 279 SG CYS A 22 -3.650 16.503 -14.617 1.00 71.25 S ATOM 0 H CYS A 22 -6.836 17.749 -12.099 1.00 24.21 H new ATOM 0 HA CYS A 22 -5.227 15.381 -12.670 1.00 40.33 H new ATOM 0 HB2 CYS A 22 -5.502 17.844 -13.865 1.00 60.53 H new ATOM 0 HB3 CYS A 22 -4.078 18.112 -12.880 1.00 60.53 H new ATOM 284 N CYS A 23 -3.122 16.046 -11.168 1.00 63.15 N ATOM 285 CA CYS A 23 -2.191 16.055 -10.046 1.00 73.12 C ATOM 286 C CYS A 23 -1.806 17.483 -9.670 1.00 60.25 C ATOM 287 O CYS A 23 -1.983 18.424 -10.444 1.00 43.12 O ATOM 288 CB CYS A 23 -0.936 15.250 -10.391 1.00 14.24 C ATOM 289 SG CYS A 23 -0.893 13.587 -9.649 1.00 21.11 S ATOM 0 H CYS A 23 -2.728 15.692 -12.040 1.00 63.15 H new ATOM 0 HA CYS A 23 -2.686 15.594 -9.191 1.00 73.12 H new ATOM 0 HB2 CYS A 23 -0.865 15.155 -11.474 1.00 14.24 H new ATOM 0 HB3 CYS A 23 -0.058 15.806 -10.061 1.00 14.24 H new ATOM 294 N PRO A 24 -1.266 17.649 -8.454 1.00 13.31 N ATOM 295 CA PRO A 24 -0.844 18.959 -7.948 1.00 22.53 C ATOM 296 C PRO A 24 0.386 19.491 -8.674 1.00 5.50 C ATOM 297 O PRO A 24 0.580 20.702 -8.778 1.00 43.13 O ATOM 298 CB PRO A 24 -0.519 18.682 -6.477 1.00 51.55 C ATOM 299 CG PRO A 24 -0.175 17.234 -6.431 1.00 63.22 C ATOM 300 CD PRO A 24 -1.026 16.572 -7.479 1.00 53.00 C ATOM 0 HA PRO A 24 -1.611 19.720 -8.094 1.00 22.53 H new ATOM 0 HB2 PRO A 24 0.312 19.297 -6.133 1.00 51.55 H new ATOM 0 HB3 PRO A 24 -1.370 18.907 -5.834 1.00 51.55 H new ATOM 0 HG2 PRO A 24 0.885 17.078 -6.633 1.00 63.22 H new ATOM 0 HG3 PRO A 24 -0.376 16.816 -5.444 1.00 63.22 H new ATOM 0 HD2 PRO A 24 -0.515 15.724 -7.935 1.00 53.00 H new ATOM 0 HD3 PRO A 24 -1.959 16.194 -7.060 1.00 53.00 H new ATOM 308 N GLU A 25 1.214 18.579 -9.174 1.00 40.45 N ATOM 309 CA GLU A 25 2.426 18.960 -9.891 1.00 31.42 C ATOM 310 C GLU A 25 2.153 19.098 -11.386 1.00 2.52 C ATOM 311 O GLU A 25 3.080 19.190 -12.192 1.00 21.35 O ATOM 312 CB GLU A 25 3.529 17.926 -9.656 1.00 62.44 C ATOM 313 CG GLU A 25 4.508 18.317 -8.562 1.00 50.43 C ATOM 314 CD GLU A 25 5.954 18.138 -8.981 1.00 61.35 C ATOM 315 OE1 GLU A 25 6.301 18.555 -10.106 1.00 62.24 O ATOM 316 OE2 GLU A 25 6.738 17.580 -8.186 1.00 3.24 O ATOM 0 H GLU A 25 1.068 17.572 -9.096 1.00 40.45 H new ATOM 0 HA GLU A 25 2.756 19.926 -9.509 1.00 31.42 H new ATOM 0 HB2 GLU A 25 3.071 16.971 -9.398 1.00 62.44 H new ATOM 0 HB3 GLU A 25 4.078 17.775 -10.586 1.00 62.44 H new ATOM 0 HG2 GLU A 25 4.340 19.358 -8.285 1.00 50.43 H new ATOM 0 HG3 GLU A 25 4.314 17.715 -7.674 1.00 50.43 H new ATOM 323 N HIS A 26 0.875 19.113 -11.749 1.00 53.24 N ATOM 324 CA HIS A 26 0.479 19.241 -13.147 1.00 72.14 C ATOM 325 C HIS A 26 -0.623 20.284 -13.307 1.00 33.21 C ATOM 326 O HIS A 26 -1.105 20.849 -12.324 1.00 64.31 O ATOM 327 CB HIS A 26 0.004 17.893 -13.690 1.00 73.30 C ATOM 328 CG HIS A 26 1.071 16.842 -13.702 1.00 0.12 C ATOM 329 ND1 HIS A 26 1.684 16.379 -12.557 1.00 35.44 N ATOM 330 CD2 HIS A 26 1.633 16.163 -14.729 1.00 21.43 C ATOM 331 CE1 HIS A 26 2.577 15.461 -12.879 1.00 24.23 C ATOM 332 NE2 HIS A 26 2.566 15.311 -14.191 1.00 23.31 N ATOM 0 H HIS A 26 0.096 19.038 -11.095 1.00 53.24 H new ATOM 0 HA HIS A 26 1.349 19.568 -13.717 1.00 72.14 H new ATOM 0 HB2 HIS A 26 -0.833 17.542 -13.086 1.00 73.30 H new ATOM 0 HB3 HIS A 26 -0.370 18.031 -14.704 1.00 73.30 H new ATOM 0 HD2 HIS A 26 1.393 16.271 -15.776 1.00 21.43 H new ATOM 0 HE1 HIS A 26 3.209 14.924 -12.187 1.00 24.23 H new ATOM 0 HE2 HIS A 26 3.155 14.667 -14.719 1.00 23.31 H new ATOM 340 N HIS A 27 -1.018 20.535 -14.551 1.00 53.00 N ATOM 341 CA HIS A 27 -2.064 21.510 -14.839 1.00 42.50 C ATOM 342 C HIS A 27 -2.593 21.336 -16.259 1.00 74.12 C ATOM 343 O HIS A 27 -2.192 20.417 -16.974 1.00 73.00 O ATOM 344 CB HIS A 27 -1.531 22.931 -14.652 1.00 45.22 C ATOM 345 CG HIS A 27 -2.526 23.869 -14.041 1.00 25.24 C ATOM 346 ND1 HIS A 27 -3.362 23.508 -13.006 1.00 12.04 N ATOM 347 CD2 HIS A 27 -2.814 25.161 -14.323 1.00 31.22 C ATOM 348 CE1 HIS A 27 -4.124 24.537 -12.679 1.00 24.12 C ATOM 349 NE2 HIS A 27 -3.810 25.553 -13.463 1.00 34.32 N ATOM 0 H HIS A 27 -0.630 20.077 -15.376 1.00 53.00 H new ATOM 0 HA HIS A 27 -2.885 21.342 -14.141 1.00 42.50 H new ATOM 0 HB2 HIS A 27 -0.642 22.897 -14.022 1.00 45.22 H new ATOM 0 HB3 HIS A 27 -1.221 23.324 -15.620 1.00 45.22 H new ATOM 0 HD2 HIS A 27 -2.347 25.770 -15.083 1.00 31.22 H new ATOM 0 HE1 HIS A 27 -4.875 24.546 -11.903 1.00 24.12 H new ATOM 0 HE2 HIS A 27 -4.238 26.478 -13.434 1.00 34.32 H new ATOM 357 N CYS A 28 -3.497 22.223 -16.662 1.00 32.04 N ATOM 358 CA CYS A 28 -4.083 22.167 -17.995 1.00 53.03 C ATOM 359 C CYS A 28 -3.320 23.067 -18.963 1.00 71.20 C ATOM 360 O CYS A 28 -3.378 24.293 -18.865 1.00 54.02 O ATOM 361 CB CYS A 28 -5.555 22.584 -17.947 1.00 25.05 C ATOM 362 SG CYS A 28 -6.503 21.808 -16.599 1.00 20.04 S ATOM 0 H CYS A 28 -3.840 22.990 -16.083 1.00 32.04 H new ATOM 0 HA CYS A 28 -4.015 21.139 -18.351 1.00 53.03 H new ATOM 0 HB2 CYS A 28 -5.612 23.667 -17.840 1.00 25.05 H new ATOM 0 HB3 CYS A 28 -6.024 22.333 -18.898 1.00 25.05 H new ATOM 367 N HIS A 29 -2.605 22.449 -19.898 1.00 5.14 N ATOM 368 CA HIS A 29 -1.830 23.194 -20.884 1.00 71.42 C ATOM 369 C HIS A 29 -2.685 23.534 -22.101 1.00 42.13 C ATOM 370 O HIS A 29 -3.464 22.708 -22.577 1.00 20.42 O ATOM 371 CB HIS A 29 -0.605 22.387 -21.316 1.00 51.13 C ATOM 372 CG HIS A 29 0.615 23.226 -21.541 1.00 24.33 C ATOM 373 ND1 HIS A 29 1.055 24.171 -20.638 1.00 64.12 N ATOM 374 CD2 HIS A 29 1.491 23.256 -22.572 1.00 64.11 C ATOM 375 CE1 HIS A 29 2.148 24.747 -21.106 1.00 2.54 C ATOM 376 NE2 HIS A 29 2.434 24.210 -22.278 1.00 23.23 N ATOM 0 H HIS A 29 -2.546 21.435 -19.994 1.00 5.14 H new ATOM 0 HA HIS A 29 -1.498 24.124 -20.423 1.00 71.42 H new ATOM 0 HB2 HIS A 29 -0.386 21.639 -20.554 1.00 51.13 H new ATOM 0 HB3 HIS A 29 -0.840 21.848 -22.234 1.00 51.13 H new ATOM 0 HD2 HIS A 29 1.455 22.644 -23.461 1.00 64.11 H new ATOM 0 HE1 HIS A 29 2.712 25.525 -20.613 1.00 2.54 H new ATOM 0 HE2 HIS A 29 3.226 24.463 -22.869 1.00 23.23 H new ATOM 384 N CYS A 30 -2.534 24.756 -22.601 1.00 14.34 N ATOM 385 CA CYS A 30 -3.293 25.208 -23.761 1.00 64.52 C ATOM 386 C CYS A 30 -2.457 26.148 -24.625 1.00 11.02 C ATOM 387 O CYS A 30 -1.466 26.726 -24.177 1.00 53.15 O ATOM 388 CB CYS A 30 -4.576 25.911 -23.316 1.00 10.42 C ATOM 389 SG CYS A 30 -6.081 24.902 -23.504 1.00 10.34 S ATOM 0 H CYS A 30 -1.892 25.452 -22.220 1.00 14.34 H new ATOM 0 HA CYS A 30 -3.555 24.333 -24.356 1.00 64.52 H new ATOM 0 HB2 CYS A 30 -4.474 26.201 -22.270 1.00 10.42 H new ATOM 0 HB3 CYS A 30 -4.693 26.829 -23.892 1.00 10.42 H new ATOM 394 N PRO A 31 -2.865 26.306 -25.893 1.00 30.03 N ATOM 395 CA PRO A 31 -2.169 27.176 -26.846 1.00 31.23 C ATOM 396 C PRO A 31 -2.330 28.654 -26.506 1.00 75.44 C ATOM 397 O PRO A 31 -2.908 29.004 -25.478 1.00 3.52 O ATOM 398 CB PRO A 31 -2.849 26.856 -28.179 1.00 43.05 C ATOM 399 CG PRO A 31 -4.204 26.364 -27.806 1.00 31.35 C ATOM 400 CD PRO A 31 -4.037 25.648 -26.494 1.00 14.14 C ATOM 0 HA PRO A 31 -1.093 27.001 -26.848 1.00 31.23 H new ATOM 0 HB2 PRO A 31 -2.910 27.740 -28.814 1.00 43.05 H new ATOM 0 HB3 PRO A 31 -2.293 26.101 -28.735 1.00 43.05 H new ATOM 0 HG2 PRO A 31 -4.908 27.191 -27.713 1.00 31.35 H new ATOM 0 HG3 PRO A 31 -4.600 25.694 -28.569 1.00 31.35 H new ATOM 0 HD2 PRO A 31 -4.921 25.750 -25.865 1.00 14.14 H new ATOM 0 HD3 PRO A 31 -3.869 24.581 -26.637 1.00 14.14 H new ATOM 408 N ALA A 32 -1.817 29.516 -27.378 1.00 72.41 N ATOM 409 CA ALA A 32 -1.907 30.956 -27.172 1.00 20.35 C ATOM 410 C ALA A 32 -2.069 31.691 -28.497 1.00 41.44 C ATOM 411 O ALA A 32 -2.064 31.078 -29.564 1.00 24.24 O ATOM 412 CB ALA A 32 -0.677 31.461 -26.432 1.00 63.43 C ATOM 0 H ALA A 32 -1.335 29.242 -28.234 1.00 72.41 H new ATOM 0 HA ALA A 32 -2.790 31.157 -26.565 1.00 20.35 H new ATOM 0 HB1 ALA A 32 -0.758 32.538 -26.285 1.00 63.43 H new ATOM 0 HB2 ALA A 32 -0.607 30.967 -25.463 1.00 63.43 H new ATOM 0 HB3 ALA A 32 0.216 31.240 -27.017 1.00 63.43 H new ATOM 418 N GLY A 33 -2.213 33.011 -28.423 1.00 55.10 N ATOM 419 CA GLY A 33 -2.376 33.808 -29.625 1.00 1.54 C ATOM 420 C GLY A 33 -3.818 33.874 -30.086 1.00 52.42 C ATOM 421 O GLY A 33 -4.148 34.612 -31.015 1.00 0.30 O ATOM 0 H GLY A 33 -2.220 33.542 -27.552 1.00 55.10 H new ATOM 0 HA2 GLY A 33 -2.011 34.818 -29.440 1.00 1.54 H new ATOM 0 HA3 GLY A 33 -1.762 33.388 -30.422 1.00 1.54 H new ATOM 425 N LYS A 34 -4.681 33.100 -29.438 1.00 32.33 N ATOM 426 CA LYS A 34 -6.097 33.072 -29.786 1.00 63.12 C ATOM 427 C LYS A 34 -6.849 34.207 -29.099 1.00 2.02 C ATOM 428 O LYS A 34 -8.077 34.188 -29.013 1.00 64.11 O ATOM 429 CB LYS A 34 -6.713 31.727 -29.395 1.00 31.03 C ATOM 430 CG LYS A 34 -7.762 31.230 -30.374 1.00 51.45 C ATOM 431 CD LYS A 34 -9.111 31.044 -29.700 1.00 52.53 C ATOM 432 CE LYS A 34 -10.020 32.242 -29.933 1.00 31.41 C ATOM 433 NZ LYS A 34 -11.433 31.829 -30.159 1.00 51.54 N ATOM 0 H LYS A 34 -4.425 32.483 -28.668 1.00 32.33 H new ATOM 0 HA LYS A 34 -6.183 33.204 -30.865 1.00 63.12 H new ATOM 0 HB2 LYS A 34 -5.920 30.983 -29.317 1.00 31.03 H new ATOM 0 HB3 LYS A 34 -7.164 31.817 -28.407 1.00 31.03 H new ATOM 0 HG2 LYS A 34 -7.860 31.940 -31.195 1.00 51.45 H new ATOM 0 HG3 LYS A 34 -7.437 30.284 -30.807 1.00 51.45 H new ATOM 0 HD2 LYS A 34 -9.589 30.143 -30.083 1.00 52.53 H new ATOM 0 HD3 LYS A 34 -8.967 30.898 -28.629 1.00 52.53 H new ATOM 0 HE2 LYS A 34 -9.970 32.909 -29.073 1.00 31.41 H new ATOM 0 HE3 LYS A 34 -9.664 32.806 -30.795 1.00 31.41 H new ATOM 0 HZ1 LYS A 34 -12.021 32.673 -30.314 1.00 51.54 H new ATOM 0 HZ2 LYS A 34 -11.485 31.213 -30.995 1.00 51.54 H new ATOM 0 HZ3 LYS A 34 -11.781 31.313 -29.326 1.00 51.54 H new ATOM 447 N TRP A 35 -6.105 35.194 -28.613 1.00 21.25 N ATOM 448 CA TRP A 35 -6.703 36.338 -27.934 1.00 5.30 C ATOM 449 C TRP A 35 -7.595 35.884 -26.784 1.00 53.34 C ATOM 450 O TRP A 35 -8.784 35.623 -26.974 1.00 61.43 O ATOM 451 CB TRP A 35 -7.512 37.178 -28.923 1.00 43.44 C ATOM 452 CG TRP A 35 -8.381 38.204 -28.260 1.00 65.03 C ATOM 453 CD1 TRP A 35 -7.969 39.345 -27.634 1.00 3.35 C ATOM 454 CD2 TRP A 35 -9.808 38.180 -28.157 1.00 33.11 C ATOM 455 NE1 TRP A 35 -9.055 40.032 -27.147 1.00 4.24 N ATOM 456 CE2 TRP A 35 -10.195 39.339 -27.455 1.00 63.33 C ATOM 457 CE3 TRP A 35 -10.798 37.294 -28.590 1.00 61.42 C ATOM 458 CZ2 TRP A 35 -11.528 39.631 -27.178 1.00 25.32 C ATOM 459 CZ3 TRP A 35 -12.120 37.585 -28.314 1.00 32.33 C ATOM 460 CH2 TRP A 35 -12.476 38.745 -27.614 1.00 5.43 C ATOM 0 H TRP A 35 -5.087 35.225 -28.676 1.00 21.25 H new ATOM 0 HA TRP A 35 -5.897 36.948 -27.524 1.00 5.30 H new ATOM 0 HB2 TRP A 35 -6.828 37.680 -29.607 1.00 43.44 H new ATOM 0 HB3 TRP A 35 -8.137 36.517 -29.524 1.00 43.44 H new ATOM 0 HD1 TRP A 35 -6.941 39.661 -27.536 1.00 3.35 H new ATOM 0 HE1 TRP A 35 -9.018 40.915 -26.638 1.00 4.24 H new ATOM 0 HE3 TRP A 35 -10.534 36.397 -29.131 1.00 61.42 H new ATOM 0 HZ2 TRP A 35 -11.804 40.525 -26.638 1.00 25.32 H new ATOM 0 HZ3 TRP A 35 -12.893 36.906 -28.644 1.00 32.33 H new ATOM 0 HH2 TRP A 35 -13.519 38.944 -27.414 1.00 5.43 H new ATOM 471 N LEU A 36 -7.017 35.793 -25.592 1.00 64.12 N ATOM 472 CA LEU A 36 -7.761 35.370 -24.411 1.00 1.32 C ATOM 473 C LEU A 36 -8.330 33.967 -24.598 1.00 44.54 C ATOM 474 O LEU A 36 -9.531 33.779 -24.793 1.00 23.25 O ATOM 475 CB LEU A 36 -8.893 36.357 -24.117 1.00 64.31 C ATOM 476 CG LEU A 36 -8.565 37.480 -23.133 1.00 12.03 C ATOM 477 CD1 LEU A 36 -9.686 38.508 -23.104 1.00 22.13 C ATOM 478 CD2 LEU A 36 -8.321 36.915 -21.741 1.00 11.21 C ATOM 0 H LEU A 36 -6.035 36.007 -25.417 1.00 64.12 H new ATOM 0 HA LEU A 36 -7.073 35.353 -23.566 1.00 1.32 H new ATOM 0 HB2 LEU A 36 -9.210 36.807 -25.058 1.00 64.31 H new ATOM 0 HB3 LEU A 36 -9.744 35.798 -23.729 1.00 64.31 H new ATOM 0 HG LEU A 36 -7.653 37.976 -23.467 1.00 12.03 H new ATOM 0 HD11 LEU A 36 -9.435 39.300 -22.398 1.00 22.13 H new ATOM 0 HD12 LEU A 36 -9.814 38.935 -24.099 1.00 22.13 H new ATOM 0 HD13 LEU A 36 -10.613 38.026 -22.794 1.00 22.13 H new ATOM 0 HD21 LEU A 36 -8.089 37.729 -21.054 1.00 11.21 H new ATOM 0 HD22 LEU A 36 -9.215 36.394 -21.398 1.00 11.21 H new ATOM 0 HD23 LEU A 36 -7.484 36.217 -21.773 1.00 11.21 H new ATOM 490 N PRO A 37 -7.448 32.958 -24.537 1.00 52.34 N ATOM 491 CA PRO A 37 -7.840 31.555 -24.695 1.00 61.44 C ATOM 492 C PRO A 37 -8.655 31.044 -23.512 1.00 73.45 C ATOM 493 O PRO A 37 -8.715 31.684 -22.464 1.00 3.40 O ATOM 494 CB PRO A 37 -6.500 30.820 -24.778 1.00 63.44 C ATOM 495 CG PRO A 37 -5.539 31.701 -24.058 1.00 41.31 C ATOM 496 CD PRO A 37 -6.001 33.110 -24.309 1.00 74.10 C ATOM 0 HA PRO A 37 -8.479 31.406 -25.566 1.00 61.44 H new ATOM 0 HB2 PRO A 37 -6.559 29.836 -24.313 1.00 63.44 H new ATOM 0 HB3 PRO A 37 -6.196 30.666 -25.814 1.00 63.44 H new ATOM 0 HG2 PRO A 37 -5.529 31.478 -22.991 1.00 41.31 H new ATOM 0 HG3 PRO A 37 -4.523 31.552 -24.424 1.00 41.31 H new ATOM 0 HD2 PRO A 37 -5.794 33.759 -23.458 1.00 74.10 H new ATOM 0 HD3 PRO A 37 -5.502 33.549 -25.173 1.00 74.10 H new ATOM 504 N GLY A 38 -9.283 29.884 -23.688 1.00 44.53 N ATOM 505 CA GLY A 38 -10.086 29.307 -22.627 1.00 0.25 C ATOM 506 C GLY A 38 -11.088 28.294 -23.143 1.00 53.32 C ATOM 507 O GLY A 38 -11.420 27.330 -22.452 1.00 54.12 O ATOM 0 H GLY A 38 -9.249 29.335 -24.547 1.00 44.53 H new ATOM 0 HA2 GLY A 38 -9.431 28.827 -21.900 1.00 0.25 H new ATOM 0 HA3 GLY A 38 -10.616 30.103 -22.103 1.00 0.25 H new ATOM 511 N LEU A 39 -11.573 28.512 -24.360 1.00 53.35 N ATOM 512 CA LEU A 39 -12.546 27.611 -24.969 1.00 42.33 C ATOM 513 C LEU A 39 -11.859 26.378 -25.546 1.00 64.22 C ATOM 514 O LEU A 39 -12.422 25.283 -25.546 1.00 54.24 O ATOM 515 CB LEU A 39 -13.324 28.337 -26.069 1.00 20.54 C ATOM 516 CG LEU A 39 -14.841 28.148 -26.053 1.00 73.31 C ATOM 517 CD1 LEU A 39 -15.449 28.811 -24.827 1.00 32.32 C ATOM 518 CD2 LEU A 39 -15.461 28.706 -27.326 1.00 32.21 C ATOM 0 H LEU A 39 -11.309 29.305 -24.945 1.00 53.35 H new ATOM 0 HA LEU A 39 -13.241 27.288 -24.194 1.00 42.33 H new ATOM 0 HB2 LEU A 39 -13.110 29.403 -25.995 1.00 20.54 H new ATOM 0 HB3 LEU A 39 -12.946 28.002 -27.035 1.00 20.54 H new ATOM 0 HG LEU A 39 -15.054 27.080 -26.006 1.00 73.31 H new ATOM 0 HD11 LEU A 39 -16.529 28.666 -24.833 1.00 32.32 H new ATOM 0 HD12 LEU A 39 -15.028 28.365 -23.926 1.00 32.32 H new ATOM 0 HD13 LEU A 39 -15.226 29.878 -24.842 1.00 32.32 H new ATOM 0 HD21 LEU A 39 -16.541 28.563 -27.298 1.00 32.21 H new ATOM 0 HD22 LEU A 39 -15.238 29.770 -27.403 1.00 32.21 H new ATOM 0 HD23 LEU A 39 -15.049 28.185 -28.190 1.00 32.21 H new ATOM 530 N PHE A 40 -10.637 26.562 -26.035 1.00 63.21 N ATOM 531 CA PHE A 40 -9.871 25.464 -26.614 1.00 35.42 C ATOM 532 C PHE A 40 -9.583 24.391 -25.567 1.00 44.35 C ATOM 533 O PHE A 40 -9.461 24.686 -24.378 1.00 71.03 O ATOM 534 CB PHE A 40 -8.559 25.984 -27.203 1.00 62.23 C ATOM 535 CG PHE A 40 -8.674 26.411 -28.638 1.00 40.55 C ATOM 536 CD1 PHE A 40 -9.736 27.196 -29.058 1.00 72.23 C ATOM 537 CD2 PHE A 40 -7.720 26.029 -29.568 1.00 32.31 C ATOM 538 CE1 PHE A 40 -9.845 27.591 -30.378 1.00 50.52 C ATOM 539 CE2 PHE A 40 -7.824 26.422 -30.889 1.00 25.31 C ATOM 540 CZ PHE A 40 -8.888 27.203 -31.295 1.00 22.12 C ATOM 0 H PHE A 40 -10.156 27.461 -26.042 1.00 63.21 H new ATOM 0 HA PHE A 40 -10.467 25.019 -27.411 1.00 35.42 H new ATOM 0 HB2 PHE A 40 -8.212 26.829 -26.608 1.00 62.23 H new ATOM 0 HB3 PHE A 40 -7.800 25.205 -27.124 1.00 62.23 H new ATOM 0 HD1 PHE A 40 -10.487 27.503 -28.345 1.00 72.23 H new ATOM 0 HD2 PHE A 40 -6.886 25.417 -29.257 1.00 32.31 H new ATOM 0 HE1 PHE A 40 -10.678 28.203 -30.692 1.00 50.52 H new ATOM 0 HE2 PHE A 40 -7.073 26.118 -31.604 1.00 25.31 H new ATOM 0 HZ PHE A 40 -8.972 27.510 -32.327 1.00 22.12 H new ATOM 550 N ARG A 41 -9.474 23.146 -26.019 1.00 55.13 N ATOM 551 CA ARG A 41 -9.202 22.029 -25.123 1.00 1.11 C ATOM 552 C ARG A 41 -7.762 22.075 -24.619 1.00 53.11 C ATOM 553 O ARG A 41 -6.859 22.522 -25.327 1.00 73.33 O ATOM 554 CB ARG A 41 -9.462 20.701 -25.835 1.00 61.44 C ATOM 555 CG ARG A 41 -8.761 20.582 -27.179 1.00 4.43 C ATOM 556 CD ARG A 41 -9.759 20.493 -28.322 1.00 41.34 C ATOM 557 NE ARG A 41 -9.274 19.644 -29.407 1.00 40.32 N ATOM 558 CZ ARG A 41 -9.859 19.566 -30.597 1.00 53.31 C ATOM 559 NH1 ARG A 41 -10.945 20.283 -30.854 1.00 22.11 N ATOM 560 NH2 ARG A 41 -9.358 18.771 -31.533 1.00 73.34 N ATOM 0 H ARG A 41 -9.570 22.886 -27.001 1.00 55.13 H new ATOM 0 HA ARG A 41 -9.872 22.111 -24.267 1.00 1.11 H new ATOM 0 HB2 ARG A 41 -9.136 19.884 -25.191 1.00 61.44 H new ATOM 0 HB3 ARG A 41 -10.535 20.582 -25.983 1.00 61.44 H new ATOM 0 HG2 ARG A 41 -8.111 21.444 -27.329 1.00 4.43 H new ATOM 0 HG3 ARG A 41 -8.124 19.698 -27.181 1.00 4.43 H new ATOM 0 HD2 ARG A 41 -10.704 20.099 -27.948 1.00 41.34 H new ATOM 0 HD3 ARG A 41 -9.960 21.493 -28.706 1.00 41.34 H new ATOM 0 HE ARG A 41 -8.440 19.080 -29.242 1.00 40.32 H new ATOM 0 HH11 ARG A 41 -11.333 20.896 -30.137 1.00 22.11 H new ATOM 0 HH12 ARG A 41 -11.392 20.221 -31.769 1.00 22.11 H new ATOM 0 HH21 ARG A 41 -8.523 18.219 -31.339 1.00 73.34 H new ATOM 0 HH22 ARG A 41 -9.808 18.712 -32.446 1.00 73.34 H new ATOM 574 N CYS A 42 -7.555 21.611 -23.391 1.00 75.03 N ATOM 575 CA CYS A 42 -6.227 21.600 -22.791 1.00 61.53 C ATOM 576 C CYS A 42 -5.791 20.175 -22.461 1.00 72.34 C ATOM 577 O CYS A 42 -6.607 19.252 -22.442 1.00 41.21 O ATOM 578 CB CYS A 42 -6.209 22.456 -21.524 1.00 15.23 C ATOM 579 SG CYS A 42 -6.694 24.192 -21.792 1.00 74.54 S ATOM 0 H CYS A 42 -8.291 21.237 -22.792 1.00 75.03 H new ATOM 0 HA CYS A 42 -5.526 22.018 -23.514 1.00 61.53 H new ATOM 0 HB2 CYS A 42 -6.880 22.012 -20.789 1.00 15.23 H new ATOM 0 HB3 CYS A 42 -5.207 22.432 -21.096 1.00 15.23 H new ATOM 584 N THR A 43 -4.499 20.002 -22.202 1.00 22.02 N ATOM 585 CA THR A 43 -3.954 18.691 -21.874 1.00 22.23 C ATOM 586 C THR A 43 -3.214 18.721 -20.541 1.00 73.40 C ATOM 587 O THR A 43 -2.559 19.708 -20.205 1.00 32.53 O ATOM 588 CB THR A 43 -2.994 18.191 -22.970 1.00 5.34 C ATOM 589 OG1 THR A 43 -1.989 19.178 -23.228 1.00 1.42 O ATOM 590 CG2 THR A 43 -3.750 17.883 -24.253 1.00 33.13 C ATOM 0 H THR A 43 -3.810 20.754 -22.213 1.00 22.02 H new ATOM 0 HA THR A 43 -4.799 18.007 -21.802 1.00 22.23 H new ATOM 0 HB THR A 43 -2.521 17.274 -22.617 1.00 5.34 H new ATOM 0 HG1 THR A 43 -1.382 18.852 -23.925 1.00 1.42 H new ATOM 0 HG21 THR A 43 -3.051 17.532 -25.012 1.00 33.13 H new ATOM 0 HG22 THR A 43 -4.494 17.111 -24.060 1.00 33.13 H new ATOM 0 HG23 THR A 43 -4.247 18.786 -24.608 1.00 33.13 H new ATOM 598 N CYS A 44 -3.322 17.633 -19.785 1.00 54.02 N ATOM 599 CA CYS A 44 -2.664 17.534 -18.488 1.00 63.25 C ATOM 600 C CYS A 44 -1.155 17.376 -18.655 1.00 71.03 C ATOM 601 O CYS A 44 -0.685 16.409 -19.255 1.00 13.40 O ATOM 602 CB CYS A 44 -3.227 16.352 -17.696 1.00 44.12 C ATOM 603 SG CYS A 44 -4.442 16.822 -16.423 1.00 72.04 S ATOM 0 H CYS A 44 -3.859 16.807 -20.049 1.00 54.02 H new ATOM 0 HA CYS A 44 -2.857 18.456 -17.939 1.00 63.25 H new ATOM 0 HB2 CYS A 44 -3.695 15.654 -18.390 1.00 44.12 H new ATOM 0 HB3 CYS A 44 -2.403 15.823 -17.218 1.00 44.12 H new ATOM 608 N GLN A 45 -0.403 18.332 -18.120 1.00 41.34 N ATOM 609 CA GLN A 45 1.052 18.299 -18.211 1.00 0.45 C ATOM 610 C GLN A 45 1.689 18.792 -16.915 1.00 70.42 C ATOM 611 O GLN A 45 1.134 19.646 -16.224 1.00 44.31 O ATOM 612 CB GLN A 45 1.531 19.154 -19.385 1.00 53.41 C ATOM 613 CG GLN A 45 1.222 18.548 -20.745 1.00 13.34 C ATOM 614 CD GLN A 45 1.654 17.099 -20.849 1.00 72.02 C ATOM 615 OE1 GLN A 45 0.860 16.293 -21.544 1.00 61.34 O flip ATOM 616 NE2 GLN A 45 2.690 16.708 -20.311 1.00 35.11 N flip ATOM 0 H GLN A 45 -0.777 19.138 -17.619 1.00 41.34 H new ATOM 0 HA GLN A 45 1.357 17.266 -18.376 1.00 0.45 H new ATOM 0 HB2 GLN A 45 1.066 20.138 -19.321 1.00 53.41 H new ATOM 0 HB3 GLN A 45 2.607 19.304 -19.299 1.00 53.41 H new ATOM 0 HG2 GLN A 45 0.151 18.619 -20.935 1.00 13.34 H new ATOM 0 HG3 GLN A 45 1.722 19.129 -21.520 1.00 13.34 H new ATOM 0 HE21 GLN A 45 3.270 17.362 -19.786 1.00 35.11 H new ATOM 0 HE22 GLN A 45 2.968 15.730 -20.390 1.00 35.11 H new ATOM 625 N VAL A 46 2.857 18.246 -16.591 1.00 42.23 N ATOM 626 CA VAL A 46 3.570 18.630 -15.379 1.00 3.20 C ATOM 627 C VAL A 46 3.995 20.094 -15.431 1.00 73.43 C ATOM 628 O VAL A 46 4.269 20.635 -16.503 1.00 73.21 O ATOM 629 CB VAL A 46 4.817 17.753 -15.160 1.00 3.04 C ATOM 630 CG1 VAL A 46 5.668 17.710 -16.420 1.00 23.14 C ATOM 631 CG2 VAL A 46 5.626 18.264 -13.977 1.00 43.11 C ATOM 0 H VAL A 46 3.329 17.536 -17.151 1.00 42.23 H new ATOM 0 HA VAL A 46 2.881 18.484 -14.547 1.00 3.20 H new ATOM 0 HB VAL A 46 4.491 16.737 -14.936 1.00 3.04 H new ATOM 0 HG11 VAL A 46 6.544 17.086 -16.246 1.00 23.14 H new ATOM 0 HG12 VAL A 46 5.083 17.294 -17.240 1.00 23.14 H new ATOM 0 HG13 VAL A 46 5.987 18.720 -16.678 1.00 23.14 H new ATOM 0 HG21 VAL A 46 6.503 17.633 -13.836 1.00 43.11 H new ATOM 0 HG22 VAL A 46 5.943 19.289 -14.169 1.00 43.11 H new ATOM 0 HG23 VAL A 46 5.012 18.237 -13.077 1.00 43.11 H new ATOM 641 N THR A 47 4.048 20.731 -14.266 1.00 32.23 N ATOM 642 CA THR A 47 4.438 22.132 -14.178 1.00 2.22 C ATOM 643 C THR A 47 5.075 22.442 -12.828 1.00 23.10 C ATOM 644 O THR A 47 4.751 21.814 -11.820 1.00 40.44 O ATOM 645 CB THR A 47 3.232 23.066 -14.390 1.00 35.25 C ATOM 646 OG1 THR A 47 3.587 24.411 -14.050 1.00 21.33 O ATOM 647 CG2 THR A 47 2.048 22.620 -13.545 1.00 14.13 C ATOM 0 H THR A 47 3.825 20.298 -13.370 1.00 32.23 H new ATOM 0 HA THR A 47 5.167 22.307 -14.969 1.00 2.22 H new ATOM 0 HB THR A 47 2.946 23.021 -15.441 1.00 35.25 H new ATOM 0 HG1 THR A 47 2.815 24.998 -14.189 1.00 21.33 H new ATOM 0 HG21 THR A 47 1.208 23.294 -13.711 1.00 14.13 H new ATOM 0 HG22 THR A 47 1.761 21.607 -13.827 1.00 14.13 H new ATOM 0 HG23 THR A 47 2.326 22.639 -12.491 1.00 14.13 H new ATOM 655 N GLU A 48 5.982 23.414 -12.816 1.00 25.52 N ATOM 656 CA GLU A 48 6.665 23.805 -11.588 1.00 54.41 C ATOM 657 C GLU A 48 6.310 25.239 -11.203 1.00 23.24 C ATOM 658 O GLU A 48 6.440 25.631 -10.043 1.00 45.32 O ATOM 659 CB GLU A 48 8.180 23.670 -11.755 1.00 14.23 C ATOM 660 CG GLU A 48 8.972 24.196 -10.569 1.00 74.23 C ATOM 661 CD GLU A 48 10.452 23.885 -10.673 1.00 21.23 C ATOM 662 OE1 GLU A 48 11.058 24.225 -11.710 1.00 42.43 O ATOM 663 OE2 GLU A 48 11.005 23.301 -9.717 1.00 75.12 O ATOM 0 H GLU A 48 6.261 23.944 -13.641 1.00 25.52 H new ATOM 0 HA GLU A 48 6.335 23.140 -10.790 1.00 54.41 H new ATOM 0 HB2 GLU A 48 8.428 22.620 -11.910 1.00 14.23 H new ATOM 0 HB3 GLU A 48 8.487 24.206 -12.653 1.00 14.23 H new ATOM 0 HG2 GLU A 48 8.835 25.275 -10.495 1.00 74.23 H new ATOM 0 HG3 GLU A 48 8.577 23.761 -9.651 1.00 74.23 H new ATOM 670 N SER A 49 5.862 26.016 -12.184 1.00 23.33 N ATOM 671 CA SER A 49 5.493 27.407 -11.949 1.00 61.22 C ATOM 672 C SER A 49 4.497 27.518 -10.799 1.00 74.13 C ATOM 673 O SER A 49 3.997 26.511 -10.296 1.00 43.25 O ATOM 674 CB SER A 49 4.896 28.019 -13.218 1.00 32.22 C ATOM 675 OG SER A 49 5.871 28.125 -14.241 1.00 13.03 O ATOM 0 H SER A 49 5.746 25.706 -13.149 1.00 23.33 H new ATOM 0 HA SER A 49 6.395 27.956 -11.679 1.00 61.22 H new ATOM 0 HB2 SER A 49 4.065 27.405 -13.565 1.00 32.22 H new ATOM 0 HB3 SER A 49 4.491 29.006 -12.994 1.00 32.22 H new ATOM 0 HG SER A 49 5.464 28.517 -15.042 1.00 13.03 H new ATOM 681 N ASP A 50 4.212 28.749 -10.388 1.00 62.25 N ATOM 682 CA ASP A 50 3.275 28.994 -9.299 1.00 34.54 C ATOM 683 C ASP A 50 1.834 28.899 -9.790 1.00 35.51 C ATOM 684 O ASP A 50 0.890 29.032 -9.010 1.00 41.21 O ATOM 685 CB ASP A 50 3.526 30.370 -8.680 1.00 62.35 C ATOM 686 CG ASP A 50 4.798 30.411 -7.857 1.00 65.21 C ATOM 687 OD1 ASP A 50 5.005 29.491 -7.037 1.00 41.24 O ATOM 688 OD2 ASP A 50 5.588 31.362 -8.033 1.00 31.02 O ATOM 0 H ASP A 50 4.617 29.593 -10.793 1.00 62.25 H new ATOM 0 HA ASP A 50 3.432 28.229 -8.539 1.00 34.54 H new ATOM 0 HB2 ASP A 50 3.585 31.116 -9.472 1.00 62.35 H new ATOM 0 HB3 ASP A 50 2.680 30.641 -8.049 1.00 62.35 H new ATOM 693 N LYS A 51 1.670 28.668 -11.088 1.00 64.12 N ATOM 694 CA LYS A 51 0.345 28.555 -11.685 1.00 70.41 C ATOM 695 C LYS A 51 -0.092 27.096 -11.767 1.00 60.50 C ATOM 696 O LYS A 51 -0.949 26.738 -12.575 1.00 50.13 O ATOM 697 CB LYS A 51 0.337 29.180 -13.082 1.00 21.40 C ATOM 698 CG LYS A 51 0.027 30.667 -13.081 1.00 70.53 C ATOM 699 CD LYS A 51 0.405 31.316 -14.402 1.00 62.41 C ATOM 700 CE LYS A 51 -0.822 31.606 -15.252 1.00 73.42 C ATOM 701 NZ LYS A 51 -0.454 32.078 -16.616 1.00 22.33 N ATOM 0 H LYS A 51 2.440 28.555 -11.748 1.00 64.12 H new ATOM 0 HA LYS A 51 -0.359 29.092 -11.050 1.00 70.41 H new ATOM 0 HB2 LYS A 51 1.309 29.020 -13.548 1.00 21.40 H new ATOM 0 HB3 LYS A 51 -0.400 28.664 -13.698 1.00 21.40 H new ATOM 0 HG2 LYS A 51 -1.036 30.818 -12.891 1.00 70.53 H new ATOM 0 HG3 LYS A 51 0.568 31.152 -12.268 1.00 70.53 H new ATOM 0 HD2 LYS A 51 0.944 32.244 -14.211 1.00 62.41 H new ATOM 0 HD3 LYS A 51 1.082 30.661 -14.950 1.00 62.41 H new ATOM 0 HE2 LYS A 51 -1.430 30.705 -15.331 1.00 73.42 H new ATOM 0 HE3 LYS A 51 -1.435 32.361 -14.760 1.00 73.42 H new ATOM 0 HZ1 LYS A 51 -1.318 32.265 -17.164 1.00 22.33 H new ATOM 0 HZ2 LYS A 51 0.105 32.952 -16.542 1.00 22.33 H new ATOM 0 HZ3 LYS A 51 0.109 31.347 -17.096 1.00 22.33 H new ATOM 715 N VAL A 52 0.502 26.256 -10.924 1.00 54.41 N ATOM 716 CA VAL A 52 0.172 24.836 -10.900 1.00 14.55 C ATOM 717 C VAL A 52 -1.229 24.607 -10.344 1.00 13.44 C ATOM 718 O VAL A 52 -1.943 25.556 -10.023 1.00 15.33 O ATOM 719 CB VAL A 52 1.184 24.039 -10.055 1.00 52.53 C ATOM 720 CG1 VAL A 52 2.551 24.036 -10.722 1.00 53.54 C ATOM 721 CG2 VAL A 52 1.270 24.610 -8.648 1.00 15.51 C ATOM 0 H VAL A 52 1.214 26.535 -10.249 1.00 54.41 H new ATOM 0 HA VAL A 52 0.213 24.484 -11.931 1.00 14.55 H new ATOM 0 HB VAL A 52 0.839 23.008 -9.983 1.00 52.53 H new ATOM 0 HG11 VAL A 52 3.253 23.468 -10.111 1.00 53.54 H new ATOM 0 HG12 VAL A 52 2.474 23.577 -11.707 1.00 53.54 H new ATOM 0 HG13 VAL A 52 2.907 25.061 -10.826 1.00 53.54 H new ATOM 0 HG21 VAL A 52 1.989 24.035 -8.065 1.00 15.51 H new ATOM 0 HG22 VAL A 52 1.591 25.650 -8.697 1.00 15.51 H new ATOM 0 HG23 VAL A 52 0.291 24.555 -8.172 1.00 15.51 H new ATOM 731 N ASN A 53 -1.616 23.341 -10.232 1.00 21.31 N ATOM 732 CA ASN A 53 -2.932 22.986 -9.714 1.00 54.12 C ATOM 733 C ASN A 53 -3.192 23.669 -8.375 1.00 32.22 C ATOM 734 O ASN A 53 -2.426 23.508 -7.424 1.00 53.33 O ATOM 735 CB ASN A 53 -3.050 21.469 -9.557 1.00 60.32 C ATOM 736 CG ASN A 53 -4.437 20.958 -9.895 1.00 54.33 C ATOM 737 OD1 ASN A 53 -5.330 21.734 -10.239 1.00 65.21 O ATOM 738 ND2 ASN A 53 -4.625 19.647 -9.798 1.00 51.25 N ATOM 0 H ASN A 53 -1.037 22.543 -10.493 1.00 21.31 H new ATOM 0 HA ASN A 53 -3.680 23.329 -10.428 1.00 54.12 H new ATOM 0 HB2 ASN A 53 -2.319 20.982 -10.203 1.00 60.32 H new ATOM 0 HB3 ASN A 53 -2.804 21.193 -8.532 1.00 60.32 H new ATOM 0 HD21 ASN A 53 -5.538 19.245 -10.012 1.00 51.25 H new ATOM 0 HD22 ASN A 53 -3.857 19.042 -9.509 1.00 51.25 H new ATOM 745 N LYS A 54 -4.278 24.431 -8.306 1.00 54.14 N ATOM 746 CA LYS A 54 -4.642 25.138 -7.084 1.00 31.51 C ATOM 747 C LYS A 54 -4.776 24.168 -5.914 1.00 61.42 C ATOM 748 O LYS A 54 -4.626 24.553 -4.754 1.00 55.34 O ATOM 749 CB LYS A 54 -5.955 25.899 -7.282 1.00 21.23 C ATOM 750 CG LYS A 54 -5.939 26.839 -8.474 1.00 40.14 C ATOM 751 CD LYS A 54 -7.304 26.924 -9.136 1.00 33.21 C ATOM 752 CE LYS A 54 -7.682 25.611 -9.805 1.00 44.24 C ATOM 753 NZ LYS A 54 -9.131 25.305 -9.649 1.00 4.20 N ATOM 0 H LYS A 54 -4.922 24.575 -9.083 1.00 54.14 H new ATOM 0 HA LYS A 54 -3.848 25.849 -6.855 1.00 31.51 H new ATOM 0 HB2 LYS A 54 -6.766 25.181 -7.407 1.00 21.23 H new ATOM 0 HB3 LYS A 54 -6.172 26.472 -6.381 1.00 21.23 H new ATOM 0 HG2 LYS A 54 -5.628 27.832 -8.151 1.00 40.14 H new ATOM 0 HG3 LYS A 54 -5.202 26.495 -9.200 1.00 40.14 H new ATOM 0 HD2 LYS A 54 -8.056 27.183 -8.390 1.00 33.21 H new ATOM 0 HD3 LYS A 54 -7.301 27.723 -9.877 1.00 33.21 H new ATOM 0 HE2 LYS A 54 -7.433 25.659 -10.865 1.00 44.24 H new ATOM 0 HE3 LYS A 54 -7.092 24.802 -9.375 1.00 44.24 H new ATOM 0 HZ1 LYS A 54 -9.401 24.555 -10.317 1.00 4.20 H new ATOM 0 HZ2 LYS A 54 -9.316 24.986 -8.677 1.00 4.20 H new ATOM 0 HZ3 LYS A 54 -9.689 26.160 -9.844 1.00 4.20 H new ATOM 767 N CYS A 55 -5.057 22.907 -6.226 1.00 61.12 N ATOM 768 CA CYS A 55 -5.210 21.881 -5.202 1.00 22.02 C ATOM 769 C CYS A 55 -3.890 21.635 -4.477 1.00 3.44 C ATOM 770 O CYS A 55 -2.805 21.846 -5.020 1.00 54.24 O ATOM 771 CB CYS A 55 -5.711 20.578 -5.826 1.00 73.55 C ATOM 772 SG CYS A 55 -7.428 20.155 -5.388 1.00 11.03 S ATOM 0 H CYS A 55 -5.183 22.571 -7.181 1.00 61.12 H new ATOM 0 HA CYS A 55 -5.943 22.234 -4.477 1.00 22.02 H new ATOM 0 HB2 CYS A 55 -5.632 20.653 -6.911 1.00 73.55 H new ATOM 0 HB3 CYS A 55 -5.057 19.764 -5.515 1.00 73.55 H new ATOM 777 N PRO A 56 -3.982 21.179 -3.219 1.00 23.41 N ATOM 778 CA PRO A 56 -2.805 20.893 -2.392 1.00 52.52 C ATOM 779 C PRO A 56 -2.034 19.673 -2.883 1.00 2.20 C ATOM 780 O PRO A 56 -2.507 18.905 -3.720 1.00 74.05 O ATOM 781 CB PRO A 56 -3.401 20.628 -1.007 1.00 42.22 C ATOM 782 CG PRO A 56 -4.792 20.169 -1.275 1.00 15.11 C ATOM 783 CD PRO A 56 -5.241 20.905 -2.507 1.00 74.21 C ATOM 0 HA PRO A 56 -2.084 21.711 -2.412 1.00 52.52 H new ATOM 0 HB2 PRO A 56 -2.831 19.871 -0.469 1.00 42.22 H new ATOM 0 HB3 PRO A 56 -3.393 21.529 -0.393 1.00 42.22 H new ATOM 0 HG2 PRO A 56 -4.824 19.091 -1.431 1.00 15.11 H new ATOM 0 HG3 PRO A 56 -5.445 20.388 -0.430 1.00 15.11 H new ATOM 0 HD2 PRO A 56 -5.920 20.302 -3.110 1.00 74.21 H new ATOM 0 HD3 PRO A 56 -5.769 21.825 -2.255 1.00 74.21 H new ATOM 791 N PRO A 57 -0.817 19.488 -2.351 1.00 4.13 N ATOM 792 CA PRO A 57 0.046 18.361 -2.720 1.00 13.54 C ATOM 793 C PRO A 57 -0.489 17.029 -2.205 1.00 53.34 C ATOM 794 O PRO A 57 -1.525 16.980 -1.542 1.00 5.01 O ATOM 795 CB PRO A 57 1.378 18.699 -2.045 1.00 72.22 C ATOM 796 CG PRO A 57 1.010 19.576 -0.898 1.00 65.33 C ATOM 797 CD PRO A 57 -0.189 20.364 -1.347 1.00 43.03 C ATOM 0 HA PRO A 57 0.119 18.240 -3.801 1.00 13.54 H new ATOM 0 HB2 PRO A 57 1.890 17.798 -1.706 1.00 72.22 H new ATOM 0 HB3 PRO A 57 2.052 19.209 -2.733 1.00 72.22 H new ATOM 0 HG2 PRO A 57 0.779 18.984 -0.013 1.00 65.33 H new ATOM 0 HG3 PRO A 57 1.835 20.238 -0.632 1.00 65.33 H new ATOM 0 HD2 PRO A 57 -0.865 20.574 -0.518 1.00 43.03 H new ATOM 0 HD3 PRO A 57 0.099 21.324 -1.775 1.00 43.03 H new ATOM 805 N ALA A 58 0.223 15.951 -2.516 1.00 2.32 N ATOM 806 CA ALA A 58 -0.179 14.619 -2.083 1.00 31.13 C ATOM 807 C ALA A 58 0.963 13.906 -1.367 1.00 42.00 C ATOM 808 O ALA A 58 0.743 13.182 -0.397 1.00 23.02 O ATOM 809 CB ALA A 58 -0.653 13.798 -3.273 1.00 31.22 C ATOM 0 H ALA A 58 1.081 15.974 -3.066 1.00 2.32 H new ATOM 0 HA ALA A 58 -1.003 14.727 -1.378 1.00 31.13 H new ATOM 0 HB1 ALA A 58 -0.950 12.805 -2.935 1.00 31.22 H new ATOM 0 HB2 ALA A 58 -1.505 14.292 -3.740 1.00 31.22 H new ATOM 0 HB3 ALA A 58 0.156 13.707 -3.998 1.00 31.22 H new ATOM 815 N GLU A 59 2.183 14.116 -1.853 1.00 74.21 N ATOM 816 CA GLU A 59 3.359 13.491 -1.259 1.00 72.04 C ATOM 817 C GLU A 59 3.222 11.971 -1.251 1.00 51.25 C ATOM 818 O GLU A 59 3.874 11.276 -2.029 1.00 25.41 O ATOM 819 CB GLU A 59 3.570 14.002 0.167 1.00 2.41 C ATOM 820 CG GLU A 59 4.872 14.763 0.354 1.00 1.23 C ATOM 821 CD GLU A 59 4.709 16.257 0.151 1.00 2.00 C ATOM 822 OE1 GLU A 59 3.977 16.887 0.943 1.00 72.50 O ATOM 823 OE2 GLU A 59 5.313 16.796 -0.799 1.00 44.43 O ATOM 0 H GLU A 59 2.382 14.713 -2.655 1.00 74.21 H new ATOM 0 HA GLU A 59 4.225 13.757 -1.865 1.00 72.04 H new ATOM 0 HB2 GLU A 59 2.737 14.651 0.438 1.00 2.41 H new ATOM 0 HB3 GLU A 59 3.552 13.156 0.854 1.00 2.41 H new ATOM 0 HG2 GLU A 59 5.257 14.576 1.357 1.00 1.23 H new ATOM 0 HG3 GLU A 59 5.614 14.384 -0.348 1.00 1.23 H new TER 830 GLU A 59