USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 530 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 NoAdj : A 6 ASNHD21 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD NoAdj : A 6 ASNHD22 : A 6 ASN OD1 : A 76 LALA :(metal ligand) USER MOD Set 1.1: A 64 TYR OH : rot -177:sc= 0.307 USER MOD Set 1.2: A 69 LYS NZ :NH3+ -115:sc= -1.06! (180deg=-3.58!) USER MOD Set 2.1: A 68 THR OG1 : rot 6:sc= 0.854 USER MOD Set 2.2: A 70 THR OG1 : rot 69:sc= -0.308 USER MOD Set 3.1: A 35 THR OG1 : rot 76:sc= -0.275! USER MOD Set 3.2: A 52 TYR OH : rot -109:sc= 0.049 USER MOD Single : A 1 CYS N :NH3+ 161:sc= 0.117 (180deg=0.0807) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00187 USER MOD Single : A 7 ASN : amide:sc= -0.355 X(o=-0.36,f=-0.18) USER MOD Single : A 11 TYR OH : rot -64:sc= 1.18 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot -140:sc= -0.199 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot -140:sc= -0.684 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 ASN : amide:sc= -0.131 X(o=-0.13,f=-0.35) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 152:sc= -0.034 (180deg=-0.674) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -130:sc=-0.00132 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -161:sc= -0.0218 (180deg=-0.295) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -0.111 K(o=-0.11,f=-2!) USER MOD Single : A 54 ASN : amide:sc= -1.14! X(o=-1.1!,f=-0.7) USER MOD Single : A 56 ASN :FLIP amide:sc= -9.89! C(o=-11!,f=-9.9!) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0657 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 0.742 -0.885 0.730 1.00 32.23 N ATOM 2 CA CYS A 1 1.344 -0.714 -0.581 1.00 21.01 C ATOM 3 C CYS A 1 0.724 -1.739 -1.532 1.00 73.30 C ATOM 4 O CYS A 1 0.255 -2.790 -1.098 1.00 33.15 O ATOM 5 CB CYS A 1 2.868 -0.837 -0.524 1.00 21.53 C ATOM 6 SG CYS A 1 3.647 -1.441 -2.065 1.00 64.14 S ATOM 0 H1 CYS A 1 1.349 -0.445 1.451 1.00 32.23 H new ATOM 0 H2 CYS A 1 -0.195 -0.433 0.743 1.00 32.23 H new ATOM 0 H3 CYS A 1 0.640 -1.899 0.936 1.00 32.23 H new ATOM 0 HA CYS A 1 1.140 0.291 -0.949 1.00 21.01 H new ATOM 0 HB2 CYS A 1 3.288 0.138 -0.279 1.00 21.53 H new ATOM 0 HB3 CYS A 1 3.134 -1.512 0.290 1.00 21.53 H new ATOM 11 N TYR A 2 0.741 -1.398 -2.812 1.00 43.01 N ATOM 12 CA TYR A 2 0.186 -2.276 -3.828 1.00 42.23 C ATOM 13 C TYR A 2 1.296 -2.935 -4.649 1.00 24.30 C ATOM 14 O TYR A 2 2.395 -2.393 -4.763 1.00 55.04 O ATOM 15 CB TYR A 2 -0.649 -1.382 -4.747 1.00 45.25 C ATOM 16 CG TYR A 2 -1.985 -0.945 -4.145 1.00 33.53 C ATOM 17 CD1 TYR A 2 -2.760 -1.854 -3.453 1.00 22.31 C ATOM 18 CD2 TYR A 2 -2.417 0.357 -4.293 1.00 3.22 C ATOM 19 CE1 TYR A 2 -4.018 -1.444 -2.886 1.00 10.44 C ATOM 20 CE2 TYR A 2 -3.675 0.768 -3.725 1.00 61.05 C ATOM 21 CZ TYR A 2 -4.413 -0.153 -3.050 1.00 15.21 C ATOM 22 OH TYR A 2 -5.602 0.235 -2.514 1.00 42.21 O ATOM 0 H TYR A 2 1.131 -0.525 -3.169 1.00 43.01 H new ATOM 0 HA TYR A 2 -0.403 -3.070 -3.369 1.00 42.23 H new ATOM 0 HB2 TYR A 2 -0.068 -0.495 -4.999 1.00 45.25 H new ATOM 0 HB3 TYR A 2 -0.839 -1.914 -5.679 1.00 45.25 H new ATOM 0 HD1 TYR A 2 -2.422 -2.873 -3.337 1.00 22.31 H new ATOM 0 HD2 TYR A 2 -1.811 1.068 -4.835 1.00 3.22 H new ATOM 0 HE1 TYR A 2 -4.634 -2.145 -2.343 1.00 10.44 H new ATOM 0 HE2 TYR A 2 -4.024 1.784 -3.833 1.00 61.05 H new ATOM 0 HH TYR A 2 -5.755 1.183 -2.708 1.00 42.21 H new ATOM 32 N VAL A 3 0.972 -4.096 -5.199 1.00 71.11 N ATOM 33 CA VAL A 3 1.928 -4.835 -6.006 1.00 30.42 C ATOM 34 C VAL A 3 1.257 -5.274 -7.309 1.00 64.50 C ATOM 35 O VAL A 3 0.190 -5.854 -7.355 1.00 25.53 O ATOM 36 CB VAL A 3 2.496 -6.007 -5.202 1.00 1.53 C ATOM 37 CG1 VAL A 3 1.691 -7.284 -5.450 1.00 1.32 C ATOM 38 CG2 VAL A 3 3.977 -6.222 -5.519 1.00 4.45 C ATOM 0 H VAL A 3 0.060 -4.543 -5.102 1.00 71.11 H new ATOM 0 HA VAL A 3 2.773 -4.201 -6.273 1.00 30.42 H new ATOM 0 HB VAL A 3 2.412 -5.759 -4.144 1.00 1.53 H new ATOM 0 HG11 VAL A 3 2.116 -8.101 -4.867 1.00 1.32 H new ATOM 0 HG12 VAL A 3 0.655 -7.125 -5.151 1.00 1.32 H new ATOM 0 HG13 VAL A 3 1.728 -7.537 -6.510 1.00 1.32 H new ATOM 0 HG21 VAL A 3 4.356 -7.060 -4.935 1.00 4.45 H new ATOM 0 HG22 VAL A 3 4.094 -6.437 -6.581 1.00 4.45 H new ATOM 0 HG23 VAL A 3 4.537 -5.322 -5.267 1.00 4.45 H new ATOM 48 N ASP A 4 1.918 -4.981 -8.395 1.00 13.31 N ATOM 49 CA ASP A 4 1.372 -5.361 -9.729 1.00 4.34 C ATOM 50 C ASP A 4 1.830 -6.776 -10.097 1.00 55.12 C ATOM 51 O ASP A 4 2.994 -7.087 -9.852 1.00 0.11 O ATOM 52 CB ASP A 4 1.958 -4.337 -10.702 1.00 13.23 C ATOM 53 CG ASP A 4 1.385 -4.575 -12.100 1.00 3.50 C ATOM 54 OD1 ASP A 4 0.677 -5.553 -12.271 1.00 34.43 O ATOM 55 OD2 ASP A 4 1.666 -3.775 -12.979 1.00 34.44 O ATOM 0 H ASP A 4 2.814 -4.494 -8.416 1.00 13.31 H new ATOM 0 HA ASP A 4 0.282 -5.362 -9.748 1.00 4.34 H new ATOM 0 HB2 ASP A 4 1.723 -3.326 -10.368 1.00 13.23 H new ATOM 0 HB3 ASP A 4 3.045 -4.421 -10.724 1.00 13.23 H new ATOM 60 N THR A 5 0.939 -7.583 -10.655 1.00 50.33 N ATOM 61 CA THR A 5 1.291 -8.942 -11.030 1.00 4.33 C ATOM 62 C THR A 5 1.421 -9.060 -12.550 1.00 2.55 C ATOM 63 O THR A 5 1.388 -10.161 -13.096 1.00 33.25 O ATOM 64 CB THR A 5 0.242 -9.883 -10.435 1.00 23.14 C ATOM 65 OG1 THR A 5 -0.983 -9.451 -11.020 1.00 32.52 O ATOM 66 CG2 THR A 5 0.038 -9.659 -8.935 1.00 22.41 C ATOM 0 H THR A 5 -0.026 -7.322 -10.856 1.00 50.33 H new ATOM 0 HA THR A 5 2.265 -9.223 -10.630 1.00 4.33 H new ATOM 0 HB THR A 5 0.540 -10.917 -10.610 1.00 23.14 H new ATOM 0 HG1 THR A 5 -1.718 -10.009 -10.690 1.00 32.52 H new ATOM 0 HG21 THR A 5 -0.716 -10.352 -8.563 1.00 22.41 H new ATOM 0 HG22 THR A 5 0.978 -9.830 -8.410 1.00 22.41 H new ATOM 0 HG23 THR A 5 -0.293 -8.635 -8.762 1.00 22.41 H new ATOM 74 N ASN A 6 1.567 -7.909 -13.190 1.00 13.22 N ATOM 75 CA ASN A 6 1.702 -7.869 -14.636 1.00 52.10 C ATOM 76 C ASN A 6 3.124 -7.437 -14.999 1.00 70.54 C ATOM 77 O ASN A 6 3.600 -7.717 -16.099 1.00 33.44 O ATOM 78 CB ASN A 6 0.730 -6.861 -15.252 1.00 51.23 C ATOM 79 CG ASN A 6 -0.632 -6.917 -14.558 1.00 32.12 C ATOM 80 OD1 ASN A 6 -1.318 -5.921 -14.398 1.00 11.11 O ATOM 81 ND2 ASN A 6 -0.984 -8.135 -14.155 1.00 51.22 N ATOM 0 H ASN A 6 1.595 -6.997 -12.734 1.00 13.22 H new ATOM 0 HA ASN A 6 1.483 -8.864 -15.023 1.00 52.10 H new ATOM 0 HB2 ASN A 6 1.143 -5.856 -15.170 1.00 51.23 H new ATOM 0 HB3 ASN A 6 0.609 -7.070 -16.315 1.00 51.23 H new ATOM 0 HD21 ASN A 6 -1.876 -8.277 -13.680 1.00 51.22 H new ATOM 0 HD22 ASN A 6 -0.362 -8.927 -14.321 1.00 51.22 H new ATOM 88 N ASN A 7 3.763 -6.763 -14.055 1.00 10.11 N ATOM 89 CA ASN A 7 5.121 -6.290 -14.262 1.00 23.02 C ATOM 90 C ASN A 7 5.094 -5.052 -15.161 1.00 64.40 C ATOM 91 O ASN A 7 6.028 -4.816 -15.926 1.00 22.20 O ATOM 92 CB ASN A 7 5.977 -7.356 -14.950 1.00 13.33 C ATOM 93 CG ASN A 7 7.466 -7.099 -14.714 1.00 25.43 C ATOM 94 OD1 ASN A 7 8.245 -6.919 -15.635 1.00 44.42 O ATOM 95 ND2 ASN A 7 7.818 -7.094 -13.431 1.00 71.00 N ATOM 0 H ASN A 7 3.365 -6.533 -13.144 1.00 10.11 H new ATOM 0 HA ASN A 7 5.549 -6.058 -13.287 1.00 23.02 H new ATOM 0 HB2 ASN A 7 5.710 -8.342 -14.571 1.00 13.33 H new ATOM 0 HB3 ASN A 7 5.770 -7.359 -16.020 1.00 13.33 H new ATOM 0 HD21 ASN A 7 8.791 -6.933 -13.170 1.00 71.00 H new ATOM 0 HD22 ASN A 7 7.115 -7.251 -12.709 1.00 71.00 H new ATOM 102 N ASP A 8 4.014 -4.295 -15.039 1.00 62.11 N ATOM 103 CA ASP A 8 3.853 -3.088 -15.831 1.00 44.43 C ATOM 104 C ASP A 8 4.165 -1.868 -14.962 1.00 41.54 C ATOM 105 O ASP A 8 4.605 -0.836 -15.469 1.00 21.52 O ATOM 106 CB ASP A 8 2.417 -2.951 -16.341 1.00 45.41 C ATOM 107 CG ASP A 8 1.425 -2.370 -15.331 1.00 64.03 C ATOM 108 OD1 ASP A 8 1.651 -1.213 -14.915 1.00 72.12 O ATOM 109 OD2 ASP A 8 0.464 -3.096 -14.998 1.00 61.23 O ATOM 0 H ASP A 8 3.242 -4.494 -14.403 1.00 62.11 H new ATOM 0 HA ASP A 8 4.533 -3.149 -16.681 1.00 44.43 H new ATOM 0 HB2 ASP A 8 2.421 -2.318 -17.229 1.00 45.41 H new ATOM 0 HB3 ASP A 8 2.062 -3.934 -16.652 1.00 45.41 H new ATOM 114 N GLY A 9 3.925 -2.025 -13.669 1.00 72.10 N ATOM 115 CA GLY A 9 4.174 -0.949 -12.725 1.00 24.00 C ATOM 116 C GLY A 9 2.902 -0.140 -12.466 1.00 75.51 C ATOM 117 O GLY A 9 2.957 1.078 -12.308 1.00 4.12 O ATOM 0 H GLY A 9 3.560 -2.882 -13.252 1.00 72.10 H new ATOM 0 HA2 GLY A 9 4.543 -1.362 -11.787 1.00 24.00 H new ATOM 0 HA3 GLY A 9 4.953 -0.293 -13.113 1.00 24.00 H new ATOM 121 N ALA A 10 1.784 -0.851 -12.431 1.00 61.40 N ATOM 122 CA ALA A 10 0.499 -0.215 -12.194 1.00 64.10 C ATOM 123 C ALA A 10 -0.384 -1.151 -11.367 1.00 23.33 C ATOM 124 O ALA A 10 -0.319 -2.370 -11.522 1.00 3.23 O ATOM 125 CB ALA A 10 -0.140 0.158 -13.533 1.00 13.12 C ATOM 0 H ALA A 10 1.742 -1.862 -12.563 1.00 61.40 H new ATOM 0 HA ALA A 10 0.626 0.706 -11.625 1.00 64.10 H new ATOM 0 HB1 ALA A 10 -1.104 0.635 -13.356 1.00 13.12 H new ATOM 0 HB2 ALA A 10 0.513 0.847 -14.068 1.00 13.12 H new ATOM 0 HB3 ALA A 10 -0.285 -0.742 -14.130 1.00 13.12 H new ATOM 131 N TYR A 11 -1.189 -0.546 -10.506 1.00 22.31 N ATOM 132 CA TYR A 11 -2.084 -1.311 -9.654 1.00 1.31 C ATOM 133 C TYR A 11 -3.527 -1.218 -10.152 1.00 75.34 C ATOM 134 O TYR A 11 -4.129 -0.146 -10.127 1.00 14.12 O ATOM 135 CB TYR A 11 -1.994 -0.671 -8.267 1.00 31.32 C ATOM 136 CG TYR A 11 -0.573 -0.606 -7.703 1.00 14.13 C ATOM 137 CD1 TYR A 11 0.245 -1.716 -7.763 1.00 12.21 C ATOM 138 CD2 TYR A 11 -0.110 0.563 -7.134 1.00 31.14 C ATOM 139 CE1 TYR A 11 1.582 -1.654 -7.232 1.00 30.21 C ATOM 140 CE2 TYR A 11 1.227 0.624 -6.603 1.00 10.54 C ATOM 141 CZ TYR A 11 2.007 -0.487 -6.678 1.00 60.10 C ATOM 142 OH TYR A 11 3.270 -0.429 -6.177 1.00 11.15 O ATOM 0 H TYR A 11 -1.240 0.465 -10.380 1.00 22.31 H new ATOM 0 HA TYR A 11 -1.802 -2.364 -9.648 1.00 1.31 H new ATOM 0 HB2 TYR A 11 -2.401 0.339 -8.317 1.00 31.32 H new ATOM 0 HB3 TYR A 11 -2.623 -1.234 -7.577 1.00 31.32 H new ATOM 0 HD1 TYR A 11 -0.118 -2.631 -8.208 1.00 12.21 H new ATOM 0 HD2 TYR A 11 -0.750 1.432 -7.087 1.00 31.14 H new ATOM 0 HE1 TYR A 11 2.233 -2.515 -7.273 1.00 30.21 H new ATOM 0 HE2 TYR A 11 1.602 1.532 -6.155 1.00 10.54 H new ATOM 0 HH TYR A 11 3.349 -1.044 -5.418 1.00 11.15 H new ATOM 152 N GLU A 12 -4.041 -2.357 -10.594 1.00 51.24 N ATOM 153 CA GLU A 12 -5.403 -2.418 -11.098 1.00 43.11 C ATOM 154 C GLU A 12 -5.922 -3.856 -11.052 1.00 64.53 C ATOM 155 O GLU A 12 -5.403 -4.730 -11.746 1.00 42.41 O ATOM 156 CB GLU A 12 -5.489 -1.849 -12.516 1.00 0.13 C ATOM 157 CG GLU A 12 -4.872 -2.812 -13.532 1.00 31.33 C ATOM 158 CD GLU A 12 -3.488 -3.278 -13.075 1.00 71.41 C ATOM 159 OE1 GLU A 12 -2.689 -2.395 -12.696 1.00 65.50 O ATOM 160 OE2 GLU A 12 -3.261 -4.507 -13.115 1.00 51.14 O ATOM 0 H GLU A 12 -3.539 -3.245 -10.614 1.00 51.24 H new ATOM 0 HA GLU A 12 -6.035 -1.804 -10.456 1.00 43.11 H new ATOM 0 HB2 GLU A 12 -6.531 -1.662 -12.774 1.00 0.13 H new ATOM 0 HB3 GLU A 12 -4.973 -0.890 -12.559 1.00 0.13 H new ATOM 0 HG2 GLU A 12 -5.525 -3.675 -13.664 1.00 31.33 H new ATOM 0 HG3 GLU A 12 -4.793 -2.321 -14.502 1.00 31.33 H new ATOM 167 N GLY A 13 -6.939 -4.059 -10.228 1.00 52.32 N ATOM 168 CA GLY A 13 -7.534 -5.376 -10.083 1.00 20.42 C ATOM 169 C GLY A 13 -7.155 -6.004 -8.739 1.00 55.35 C ATOM 170 O GLY A 13 -7.494 -5.471 -7.684 1.00 52.50 O ATOM 0 H GLY A 13 -7.366 -3.333 -9.653 1.00 52.32 H new ATOM 0 HA2 GLY A 13 -8.619 -5.299 -10.160 1.00 20.42 H new ATOM 0 HA3 GLY A 13 -7.202 -6.021 -10.896 1.00 20.42 H new ATOM 174 N ASP A 14 -6.458 -7.127 -8.823 1.00 33.22 N ATOM 175 CA ASP A 14 -6.030 -7.833 -7.627 1.00 11.32 C ATOM 176 C ASP A 14 -4.809 -7.127 -7.033 1.00 53.02 C ATOM 177 O ASP A 14 -4.463 -7.348 -5.874 1.00 10.23 O ATOM 178 CB ASP A 14 -5.632 -9.274 -7.950 1.00 71.04 C ATOM 179 CG ASP A 14 -5.245 -10.125 -6.740 1.00 24.35 C ATOM 180 OD1 ASP A 14 -4.681 -11.220 -6.883 1.00 25.22 O ATOM 181 OD2 ASP A 14 -5.549 -9.615 -5.595 1.00 11.05 O ATOM 0 H ASP A 14 -6.179 -7.566 -9.700 1.00 33.22 H new ATOM 0 HA ASP A 14 -6.862 -7.838 -6.923 1.00 11.32 H new ATOM 0 HB2 ASP A 14 -6.462 -9.758 -8.465 1.00 71.04 H new ATOM 0 HB3 ASP A 14 -4.793 -9.256 -8.646 1.00 71.04 H new ATOM 187 N GLU A 15 -4.190 -6.292 -7.855 1.00 74.32 N ATOM 188 CA GLU A 15 -3.015 -5.553 -7.426 1.00 55.10 C ATOM 189 C GLU A 15 -3.411 -4.454 -6.437 1.00 75.53 C ATOM 190 O GLU A 15 -2.550 -3.769 -5.888 1.00 35.01 O ATOM 191 CB GLU A 15 -2.268 -4.967 -8.625 1.00 62.25 C ATOM 192 CG GLU A 15 -2.033 -6.032 -9.699 1.00 31.34 C ATOM 193 CD GLU A 15 -1.833 -5.391 -11.073 1.00 52.22 C ATOM 194 OE1 GLU A 15 -1.886 -4.143 -11.130 1.00 72.33 O ATOM 195 OE2 GLU A 15 -1.632 -6.163 -12.036 1.00 3.53 O ATOM 0 H GLU A 15 -4.480 -6.111 -8.816 1.00 74.32 H new ATOM 0 HA GLU A 15 -2.340 -6.244 -6.921 1.00 55.10 H new ATOM 0 HB2 GLU A 15 -2.841 -4.141 -9.046 1.00 62.25 H new ATOM 0 HB3 GLU A 15 -1.312 -4.558 -8.298 1.00 62.25 H new ATOM 0 HG2 GLU A 15 -1.157 -6.627 -9.441 1.00 31.34 H new ATOM 0 HG3 GLU A 15 -2.883 -6.714 -9.732 1.00 31.34 H new ATOM 202 N LEU A 16 -4.715 -4.321 -6.241 1.00 21.32 N ATOM 203 CA LEU A 16 -5.236 -3.318 -5.328 1.00 5.22 C ATOM 204 C LEU A 16 -5.908 -4.013 -4.142 1.00 52.05 C ATOM 205 O LEU A 16 -6.824 -3.462 -3.533 1.00 71.35 O ATOM 206 CB LEU A 16 -6.152 -2.342 -6.070 1.00 23.44 C ATOM 207 CG LEU A 16 -5.480 -1.462 -7.125 1.00 3.42 C ATOM 208 CD1 LEU A 16 -6.502 -0.943 -8.138 1.00 71.20 C ATOM 209 CD2 LEU A 16 -4.694 -0.324 -6.470 1.00 12.32 C ATOM 0 H LEU A 16 -5.426 -4.891 -6.699 1.00 21.32 H new ATOM 0 HA LEU A 16 -4.425 -2.713 -4.924 1.00 5.22 H new ATOM 0 HB2 LEU A 16 -6.944 -2.914 -6.554 1.00 23.44 H new ATOM 0 HB3 LEU A 16 -6.630 -1.694 -5.336 1.00 23.44 H new ATOM 0 HG LEU A 16 -4.764 -2.074 -7.674 1.00 3.42 H new ATOM 0 HD11 LEU A 16 -5.998 -0.320 -8.877 1.00 71.20 H new ATOM 0 HD12 LEU A 16 -6.979 -1.786 -8.638 1.00 71.20 H new ATOM 0 HD13 LEU A 16 -7.259 -0.353 -7.621 1.00 71.20 H new ATOM 0 HD21 LEU A 16 -4.226 0.287 -7.242 1.00 12.32 H new ATOM 0 HD22 LEU A 16 -5.371 0.293 -5.880 1.00 12.32 H new ATOM 0 HD23 LEU A 16 -3.924 -0.740 -5.821 1.00 12.32 H new ATOM 221 N SER A 17 -5.428 -5.213 -3.851 1.00 3.33 N ATOM 222 CA SER A 17 -5.971 -5.989 -2.749 1.00 51.11 C ATOM 223 C SER A 17 -5.232 -5.648 -1.454 1.00 2.43 C ATOM 224 O SER A 17 -5.758 -5.856 -0.361 1.00 43.54 O ATOM 225 CB SER A 17 -5.878 -7.489 -3.034 1.00 20.21 C ATOM 226 OG SER A 17 -6.627 -8.258 -2.096 1.00 64.12 O ATOM 0 H SER A 17 -4.669 -5.667 -4.359 1.00 3.33 H new ATOM 0 HA SER A 17 -7.024 -5.732 -2.636 1.00 51.11 H new ATOM 0 HB2 SER A 17 -6.243 -7.690 -4.041 1.00 20.21 H new ATOM 0 HB3 SER A 17 -4.834 -7.799 -3.006 1.00 20.21 H new ATOM 0 HG SER A 17 -6.544 -9.210 -2.313 1.00 64.12 H new ATOM 232 N GLY A 18 -4.024 -5.129 -1.618 1.00 63.45 N ATOM 233 CA GLY A 18 -3.207 -4.757 -0.476 1.00 23.31 C ATOM 234 C GLY A 18 -1.911 -5.571 -0.440 1.00 14.22 C ATOM 235 O GLY A 18 -1.932 -6.786 -0.629 1.00 41.02 O ATOM 0 H GLY A 18 -3.591 -4.957 -2.526 1.00 63.45 H new ATOM 0 HA2 GLY A 18 -2.972 -3.694 -0.524 1.00 23.31 H new ATOM 0 HA3 GLY A 18 -3.768 -4.918 0.445 1.00 23.31 H new ATOM 239 N THR A 19 -0.815 -4.868 -0.195 1.00 53.22 N ATOM 240 CA THR A 19 0.487 -5.510 -0.132 1.00 12.42 C ATOM 241 C THR A 19 1.282 -4.986 1.066 1.00 52.42 C ATOM 242 O THR A 19 0.887 -4.007 1.697 1.00 12.24 O ATOM 243 CB THR A 19 1.190 -5.286 -1.472 1.00 74.43 C ATOM 244 OG1 THR A 19 0.133 -5.321 -2.428 1.00 64.51 O ATOM 245 CG2 THR A 19 2.087 -6.461 -1.866 1.00 23.44 C ATOM 0 H THR A 19 -0.802 -3.860 -0.038 1.00 53.22 H new ATOM 0 HA THR A 19 0.391 -6.584 0.026 1.00 12.42 H new ATOM 0 HB THR A 19 1.786 -4.375 -1.421 1.00 74.43 H new ATOM 0 HG1 THR A 19 0.431 -5.803 -3.228 1.00 64.51 H new ATOM 0 HG21 THR A 19 2.562 -6.251 -2.824 1.00 23.44 H new ATOM 0 HG22 THR A 19 2.854 -6.605 -1.105 1.00 23.44 H new ATOM 0 HG23 THR A 19 1.485 -7.366 -1.950 1.00 23.44 H new ATOM 253 N MET A 20 2.388 -5.661 1.342 1.00 12.41 N ATOM 254 CA MET A 20 3.242 -5.275 2.453 1.00 71.43 C ATOM 255 C MET A 20 4.591 -4.755 1.952 1.00 31.03 C ATOM 256 O MET A 20 5.233 -5.389 1.116 1.00 2.42 O ATOM 257 CB MET A 20 3.467 -6.482 3.366 1.00 10.12 C ATOM 258 CG MET A 20 2.139 -7.015 3.907 1.00 72.40 C ATOM 259 SD MET A 20 2.441 -8.310 5.098 1.00 74.31 S ATOM 260 CE MET A 20 0.881 -8.303 5.965 1.00 34.44 C ATOM 0 H MET A 20 2.713 -6.472 0.816 1.00 12.41 H new ATOM 0 HA MET A 20 2.749 -4.476 3.007 1.00 71.43 H new ATOM 0 HB2 MET A 20 3.981 -7.269 2.814 1.00 10.12 H new ATOM 0 HB3 MET A 20 4.115 -6.199 4.196 1.00 10.12 H new ATOM 0 HG2 MET A 20 1.575 -6.206 4.372 1.00 72.40 H new ATOM 0 HG3 MET A 20 1.530 -7.398 3.088 1.00 72.40 H new ATOM 0 HE1 MET A 20 0.898 -9.059 6.750 1.00 34.44 H new ATOM 0 HE2 MET A 20 0.716 -7.322 6.410 1.00 34.44 H new ATOM 0 HE3 MET A 20 0.075 -8.524 5.265 1.00 34.44 H new ATOM 270 N GLU A 21 4.980 -3.606 2.485 1.00 25.20 N ATOM 271 CA GLU A 21 6.241 -2.993 2.103 1.00 64.51 C ATOM 272 C GLU A 21 7.281 -3.184 3.209 1.00 11.13 C ATOM 273 O GLU A 21 7.044 -2.816 4.359 1.00 52.53 O ATOM 274 CB GLU A 21 6.054 -1.511 1.776 1.00 13.33 C ATOM 275 CG GLU A 21 7.388 -0.764 1.831 1.00 10.13 C ATOM 276 CD GLU A 21 7.211 0.705 1.441 1.00 73.21 C ATOM 277 OE1 GLU A 21 6.268 1.043 0.710 1.00 73.41 O ATOM 278 OE2 GLU A 21 8.095 1.509 1.926 1.00 23.42 O ATOM 0 H GLU A 21 4.444 -3.083 3.178 1.00 25.20 H new ATOM 0 HA GLU A 21 6.604 -3.487 1.201 1.00 64.51 H new ATOM 0 HB2 GLU A 21 5.615 -1.407 0.784 1.00 13.33 H new ATOM 0 HB3 GLU A 21 5.354 -1.065 2.482 1.00 13.33 H new ATOM 0 HG2 GLU A 21 7.804 -0.829 2.836 1.00 10.13 H new ATOM 0 HG3 GLU A 21 8.103 -1.239 1.159 1.00 10.13 H new ATOM 286 N TYR A 22 8.410 -3.759 2.824 1.00 45.15 N ATOM 287 CA TYR A 22 9.487 -4.003 3.769 1.00 50.45 C ATOM 288 C TYR A 22 10.734 -3.196 3.400 1.00 54.24 C ATOM 289 O TYR A 22 10.975 -2.922 2.225 1.00 21.00 O ATOM 290 CB TYR A 22 9.810 -5.494 3.664 1.00 62.41 C ATOM 291 CG TYR A 22 8.577 -6.400 3.666 1.00 40.20 C ATOM 292 CD1 TYR A 22 7.781 -6.484 2.542 1.00 60.42 C ATOM 293 CD2 TYR A 22 8.260 -7.132 4.792 1.00 25.32 C ATOM 294 CE1 TYR A 22 6.620 -7.337 2.544 1.00 43.43 C ATOM 295 CE2 TYR A 22 7.100 -7.985 4.794 1.00 12.52 C ATOM 296 CZ TYR A 22 6.337 -8.045 3.670 1.00 50.42 C ATOM 297 OH TYR A 22 5.241 -8.850 3.672 1.00 53.53 O ATOM 0 H TYR A 22 8.603 -4.063 1.870 1.00 45.15 H new ATOM 0 HA TYR A 22 9.188 -3.710 4.775 1.00 50.45 H new ATOM 0 HB2 TYR A 22 10.375 -5.669 2.749 1.00 62.41 H new ATOM 0 HB3 TYR A 22 10.456 -5.775 4.496 1.00 62.41 H new ATOM 0 HD1 TYR A 22 8.028 -5.910 1.661 1.00 60.42 H new ATOM 0 HD2 TYR A 22 8.882 -7.065 5.672 1.00 25.32 H new ATOM 0 HE1 TYR A 22 5.989 -7.412 1.671 1.00 43.43 H new ATOM 0 HE2 TYR A 22 6.842 -8.564 5.668 1.00 12.52 H new ATOM 0 HH TYR A 22 4.789 -8.785 4.539 1.00 53.53 H new ATOM 307 N LYS A 23 11.492 -2.838 4.425 1.00 44.40 N ATOM 308 CA LYS A 23 12.708 -2.068 4.223 1.00 1.44 C ATOM 309 C LYS A 23 13.919 -2.998 4.327 1.00 54.45 C ATOM 310 O LYS A 23 14.185 -3.560 5.388 1.00 43.15 O ATOM 311 CB LYS A 23 12.758 -0.883 5.190 1.00 5.03 C ATOM 312 CG LYS A 23 13.916 0.057 4.846 1.00 21.55 C ATOM 313 CD LYS A 23 14.193 1.029 5.995 1.00 72.20 C ATOM 314 CE LYS A 23 15.264 2.049 5.604 1.00 63.41 C ATOM 315 NZ LYS A 23 14.642 3.247 4.998 1.00 4.33 N ATOM 0 H LYS A 23 11.288 -3.067 5.398 1.00 44.40 H new ATOM 0 HA LYS A 23 12.723 -1.635 3.223 1.00 1.44 H new ATOM 0 HB2 LYS A 23 11.816 -0.336 5.149 1.00 5.03 H new ATOM 0 HB3 LYS A 23 12.871 -1.247 6.211 1.00 5.03 H new ATOM 0 HG2 LYS A 23 14.812 -0.526 4.634 1.00 21.55 H new ATOM 0 HG3 LYS A 23 13.679 0.616 3.941 1.00 21.55 H new ATOM 0 HD2 LYS A 23 13.274 1.548 6.267 1.00 72.20 H new ATOM 0 HD3 LYS A 23 14.518 0.474 6.875 1.00 72.20 H new ATOM 0 HE2 LYS A 23 15.839 2.336 6.484 1.00 63.41 H new ATOM 0 HE3 LYS A 23 15.963 1.599 4.899 1.00 63.41 H new ATOM 0 HZ1 LYS A 23 15.383 3.929 4.738 1.00 4.33 H new ATOM 0 HZ2 LYS A 23 14.113 2.970 4.147 1.00 4.33 H new ATOM 0 HZ3 LYS A 23 13.993 3.685 5.682 1.00 4.33 H new ATOM 328 N LEU A 24 14.619 -3.131 3.210 1.00 41.21 N ATOM 329 CA LEU A 24 15.795 -3.983 3.161 1.00 1.12 C ATOM 330 C LEU A 24 17.050 -3.121 3.312 1.00 65.35 C ATOM 331 O LEU A 24 17.351 -2.300 2.447 1.00 41.22 O ATOM 332 CB LEU A 24 15.785 -4.839 1.893 1.00 54.51 C ATOM 333 CG LEU A 24 17.030 -5.694 1.651 1.00 74.41 C ATOM 334 CD1 LEU A 24 18.099 -4.905 0.894 1.00 41.33 C ATOM 335 CD2 LEU A 24 17.564 -6.269 2.964 1.00 12.14 C ATOM 0 H LEU A 24 14.394 -2.663 2.332 1.00 41.21 H new ATOM 0 HA LEU A 24 15.790 -4.688 3.992 1.00 1.12 H new ATOM 0 HB2 LEU A 24 14.918 -5.498 1.930 1.00 54.51 H new ATOM 0 HB3 LEU A 24 15.648 -4.181 1.035 1.00 54.51 H new ATOM 0 HG LEU A 24 16.747 -6.538 1.021 1.00 74.41 H new ATOM 0 HD11 LEU A 24 18.973 -5.536 0.735 1.00 41.33 H new ATOM 0 HD12 LEU A 24 17.702 -4.586 -0.070 1.00 41.33 H new ATOM 0 HD13 LEU A 24 18.385 -4.029 1.476 1.00 41.33 H new ATOM 0 HD21 LEU A 24 18.449 -6.873 2.764 1.00 12.14 H new ATOM 0 HD22 LEU A 24 17.826 -5.454 3.638 1.00 12.14 H new ATOM 0 HD23 LEU A 24 16.798 -6.891 3.427 1.00 12.14 H new ATOM 347 N ILE A 25 17.750 -3.338 4.416 1.00 74.42 N ATOM 348 CA ILE A 25 18.966 -2.592 4.690 1.00 33.05 C ATOM 349 C ILE A 25 20.162 -3.546 4.663 1.00 53.24 C ATOM 350 O ILE A 25 20.183 -4.542 5.384 1.00 74.13 O ATOM 351 CB ILE A 25 18.831 -1.812 6.000 1.00 64.21 C ATOM 352 CG1 ILE A 25 17.683 -0.804 5.922 1.00 4.32 C ATOM 353 CG2 ILE A 25 20.155 -1.146 6.379 1.00 3.43 C ATOM 354 CD1 ILE A 25 17.061 -0.574 7.301 1.00 71.21 C ATOM 0 H ILE A 25 17.498 -4.020 5.131 1.00 74.42 H new ATOM 0 HA ILE A 25 19.137 -1.844 3.916 1.00 33.05 H new ATOM 0 HB ILE A 25 18.586 -2.517 6.795 1.00 64.21 H new ATOM 0 HG12 ILE A 25 18.051 0.141 5.523 1.00 4.32 H new ATOM 0 HG13 ILE A 25 16.922 -1.167 5.232 1.00 4.32 H new ATOM 0 HG21 ILE A 25 20.032 -0.598 7.313 1.00 3.43 H new ATOM 0 HG22 ILE A 25 20.923 -1.909 6.504 1.00 3.43 H new ATOM 0 HG23 ILE A 25 20.454 -0.456 5.590 1.00 3.43 H new ATOM 0 HD11 ILE A 25 16.247 0.147 7.218 1.00 71.21 H new ATOM 0 HD12 ILE A 25 16.673 -1.517 7.687 1.00 71.21 H new ATOM 0 HD13 ILE A 25 17.819 -0.188 7.982 1.00 71.21 H new ATOM 366 N LEU A 26 21.129 -3.207 3.822 1.00 35.15 N ATOM 367 CA LEU A 26 22.325 -4.021 3.691 1.00 1.01 C ATOM 368 C LEU A 26 23.529 -3.239 4.219 1.00 2.42 C ATOM 369 O LEU A 26 23.948 -2.254 3.613 1.00 3.42 O ATOM 370 CB LEU A 26 22.490 -4.503 2.248 1.00 15.04 C ATOM 371 CG LEU A 26 21.198 -4.853 1.507 1.00 72.31 C ATOM 372 CD1 LEU A 26 20.683 -3.655 0.707 1.00 70.45 C ATOM 373 CD2 LEU A 26 21.389 -6.091 0.628 1.00 54.23 C ATOM 0 H LEU A 26 21.108 -2.380 3.225 1.00 35.15 H new ATOM 0 HA LEU A 26 22.240 -4.923 4.296 1.00 1.01 H new ATOM 0 HB2 LEU A 26 23.011 -3.729 1.684 1.00 15.04 H new ATOM 0 HB3 LEU A 26 23.134 -5.383 2.251 1.00 15.04 H new ATOM 0 HG LEU A 26 20.435 -5.098 2.246 1.00 72.31 H new ATOM 0 HD11 LEU A 26 19.764 -3.931 0.190 1.00 70.45 H new ATOM 0 HD12 LEU A 26 20.483 -2.824 1.384 1.00 70.45 H new ATOM 0 HD13 LEU A 26 21.434 -3.355 -0.024 1.00 70.45 H new ATOM 0 HD21 LEU A 26 20.456 -6.319 0.112 1.00 54.23 H new ATOM 0 HD22 LEU A 26 22.172 -5.899 -0.106 1.00 54.23 H new ATOM 0 HD23 LEU A 26 21.675 -6.939 1.251 1.00 54.23 H new ATOM 385 N ASN A 27 24.052 -3.707 5.343 1.00 12.41 N ATOM 386 CA ASN A 27 25.200 -3.063 5.960 1.00 75.14 C ATOM 387 C ASN A 27 26.452 -3.899 5.692 1.00 65.41 C ATOM 388 O ASN A 27 26.683 -4.908 6.356 1.00 24.45 O ATOM 389 CB ASN A 27 25.020 -2.952 7.475 1.00 44.31 C ATOM 390 CG ASN A 27 24.475 -1.576 7.863 1.00 44.31 C ATOM 391 OD1 ASN A 27 24.952 -0.543 7.420 1.00 34.34 O ATOM 392 ND2 ASN A 27 23.453 -1.619 8.712 1.00 11.33 N ATOM 0 H ASN A 27 23.702 -4.525 5.843 1.00 12.41 H new ATOM 0 HA ASN A 27 25.296 -2.064 5.534 1.00 75.14 H new ATOM 0 HB2 ASN A 27 24.338 -3.728 7.822 1.00 44.31 H new ATOM 0 HB3 ASN A 27 25.975 -3.122 7.972 1.00 44.31 H new ATOM 0 HD21 ASN A 27 23.019 -0.753 9.032 1.00 11.33 H new ATOM 0 HD22 ASN A 27 23.103 -2.518 9.044 1.00 11.33 H new ATOM 399 N GLY A 28 27.229 -3.449 4.717 1.00 14.12 N ATOM 400 CA GLY A 28 28.452 -4.143 4.353 1.00 22.14 C ATOM 401 C GLY A 28 29.626 -3.167 4.250 1.00 61.42 C ATOM 402 O GLY A 28 29.439 -1.999 3.915 1.00 12.45 O ATOM 0 H GLY A 28 27.035 -2.612 4.168 1.00 14.12 H new ATOM 0 HA2 GLY A 28 28.675 -4.909 5.096 1.00 22.14 H new ATOM 0 HA3 GLY A 28 28.315 -4.654 3.400 1.00 22.14 H new ATOM 406 N LYS A 29 30.811 -3.683 4.543 1.00 73.42 N ATOM 407 CA LYS A 29 32.015 -2.872 4.487 1.00 70.32 C ATOM 408 C LYS A 29 32.273 -2.449 3.039 1.00 20.42 C ATOM 409 O LYS A 29 32.724 -1.334 2.786 1.00 44.42 O ATOM 410 CB LYS A 29 33.190 -3.612 5.130 1.00 34.21 C ATOM 411 CG LYS A 29 32.796 -4.185 6.493 1.00 24.31 C ATOM 412 CD LYS A 29 32.176 -3.107 7.383 1.00 11.42 C ATOM 413 CE LYS A 29 30.652 -3.091 7.245 1.00 62.40 C ATOM 414 NZ LYS A 29 30.018 -2.761 8.541 1.00 74.43 N ATOM 0 H LYS A 29 30.963 -4.653 4.820 1.00 73.42 H new ATOM 0 HA LYS A 29 31.887 -1.959 5.068 1.00 70.32 H new ATOM 0 HB2 LYS A 29 33.520 -4.418 4.474 1.00 34.21 H new ATOM 0 HB3 LYS A 29 34.033 -2.931 5.247 1.00 34.21 H new ATOM 0 HG2 LYS A 29 32.087 -5.001 6.357 1.00 24.31 H new ATOM 0 HG3 LYS A 29 33.675 -4.605 6.983 1.00 24.31 H new ATOM 0 HD2 LYS A 29 32.449 -3.288 8.423 1.00 11.42 H new ATOM 0 HD3 LYS A 29 32.579 -2.131 7.113 1.00 11.42 H new ATOM 0 HE2 LYS A 29 30.357 -2.360 6.492 1.00 62.40 H new ATOM 0 HE3 LYS A 29 30.302 -4.064 6.899 1.00 62.40 H new ATOM 0 HZ1 LYS A 29 28.984 -2.754 8.430 1.00 74.43 H new ATOM 0 HZ2 LYS A 29 30.285 -3.474 9.250 1.00 74.43 H new ATOM 0 HZ3 LYS A 29 30.338 -1.823 8.855 1.00 74.43 H new ATOM 427 N THR A 30 31.975 -3.363 2.127 1.00 24.44 N ATOM 428 CA THR A 30 32.169 -3.099 0.712 1.00 65.22 C ATOM 429 C THR A 30 30.834 -2.767 0.043 1.00 1.54 C ATOM 430 O THR A 30 30.802 -2.105 -0.993 1.00 3.21 O ATOM 431 CB THR A 30 32.872 -4.311 0.097 1.00 74.34 C ATOM 432 OG1 THR A 30 32.904 -4.023 -1.298 1.00 53.15 O ATOM 433 CG2 THR A 30 32.032 -5.587 0.194 1.00 13.52 C ATOM 0 H THR A 30 31.601 -4.287 2.341 1.00 24.44 H new ATOM 0 HA THR A 30 32.801 -2.225 0.556 1.00 65.22 H new ATOM 0 HB THR A 30 33.829 -4.467 0.596 1.00 74.34 H new ATOM 0 HG1 THR A 30 33.345 -4.758 -1.774 1.00 53.15 H new ATOM 0 HG21 THR A 30 32.577 -6.416 -0.257 1.00 13.52 H new ATOM 0 HG22 THR A 30 31.831 -5.812 1.242 1.00 13.52 H new ATOM 0 HG23 THR A 30 31.089 -5.443 -0.333 1.00 13.52 H new ATOM 441 N LEU A 31 29.764 -3.241 0.664 1.00 11.21 N ATOM 442 CA LEU A 31 28.429 -3.002 0.142 1.00 11.03 C ATOM 443 C LEU A 31 27.529 -2.492 1.270 1.00 42.54 C ATOM 444 O LEU A 31 27.149 -3.253 2.158 1.00 53.51 O ATOM 445 CB LEU A 31 27.893 -4.255 -0.552 1.00 61.54 C ATOM 446 CG LEU A 31 26.633 -4.066 -1.400 1.00 2.04 C ATOM 447 CD1 LEU A 31 26.430 -2.593 -1.758 1.00 14.45 C ATOM 448 CD2 LEU A 31 26.669 -4.958 -2.642 1.00 74.11 C ATOM 0 H LEU A 31 29.794 -3.789 1.524 1.00 11.21 H new ATOM 0 HA LEU A 31 28.453 -2.227 -0.624 1.00 11.03 H new ATOM 0 HB2 LEU A 31 28.680 -4.657 -1.191 1.00 61.54 H new ATOM 0 HB3 LEU A 31 27.685 -5.007 0.209 1.00 61.54 H new ATOM 0 HG LEU A 31 25.772 -4.375 -0.807 1.00 2.04 H new ATOM 0 HD11 LEU A 31 25.528 -2.486 -2.361 1.00 14.45 H new ATOM 0 HD12 LEU A 31 26.328 -2.007 -0.844 1.00 14.45 H new ATOM 0 HD13 LEU A 31 27.289 -2.234 -2.324 1.00 14.45 H new ATOM 0 HD21 LEU A 31 25.762 -4.804 -3.227 1.00 74.11 H new ATOM 0 HD22 LEU A 31 27.539 -4.704 -3.248 1.00 74.11 H new ATOM 0 HD23 LEU A 31 26.732 -6.003 -2.338 1.00 74.11 H new ATOM 460 N LYS A 32 27.215 -1.206 1.197 1.00 61.41 N ATOM 461 CA LYS A 32 26.367 -0.585 2.200 1.00 22.33 C ATOM 462 C LYS A 32 25.303 0.267 1.506 1.00 60.22 C ATOM 463 O LYS A 32 25.630 1.159 0.725 1.00 53.22 O ATOM 464 CB LYS A 32 27.214 0.191 3.211 1.00 52.32 C ATOM 465 CG LYS A 32 28.386 0.892 2.521 1.00 53.25 C ATOM 466 CD LYS A 32 29.361 1.470 3.548 1.00 41.00 C ATOM 467 CE LYS A 32 30.800 1.413 3.031 1.00 72.23 C ATOM 468 NZ LYS A 32 30.859 1.838 1.614 1.00 14.24 N ATOM 0 H LYS A 32 27.533 -0.578 0.459 1.00 61.41 H new ATOM 0 HA LYS A 32 25.840 -1.345 2.777 1.00 22.33 H new ATOM 0 HB2 LYS A 32 26.594 0.928 3.721 1.00 52.32 H new ATOM 0 HB3 LYS A 32 27.591 -0.490 3.974 1.00 52.32 H new ATOM 0 HG2 LYS A 32 28.908 0.185 1.876 1.00 53.25 H new ATOM 0 HG3 LYS A 32 28.011 1.691 1.881 1.00 53.25 H new ATOM 0 HD2 LYS A 32 29.091 2.503 3.770 1.00 41.00 H new ATOM 0 HD3 LYS A 32 29.284 0.913 4.482 1.00 41.00 H new ATOM 0 HE2 LYS A 32 31.436 2.058 3.637 1.00 72.23 H new ATOM 0 HE3 LYS A 32 31.188 0.399 3.129 1.00 72.23 H new ATOM 0 HZ1 LYS A 32 31.794 2.246 1.413 1.00 14.24 H new ATOM 0 HZ2 LYS A 32 30.700 1.015 0.998 1.00 14.24 H new ATOM 0 HZ3 LYS A 32 30.124 2.552 1.435 1.00 14.24 H new ATOM 481 N GLY A 33 24.052 -0.039 1.815 1.00 15.44 N ATOM 482 CA GLY A 33 22.937 0.688 1.231 1.00 43.22 C ATOM 483 C GLY A 33 21.603 0.190 1.791 1.00 5.32 C ATOM 484 O GLY A 33 21.562 -0.804 2.514 1.00 3.14 O ATOM 0 H GLY A 33 23.785 -0.781 2.462 1.00 15.44 H new ATOM 0 HA2 GLY A 33 23.046 1.753 1.435 1.00 43.22 H new ATOM 0 HA3 GLY A 33 22.948 0.568 0.148 1.00 43.22 H new ATOM 488 N GLU A 34 20.545 0.904 1.436 1.00 5.41 N ATOM 489 CA GLU A 34 19.214 0.548 1.895 1.00 74.44 C ATOM 490 C GLU A 34 18.245 0.481 0.712 1.00 42.21 C ATOM 491 O GLU A 34 18.580 0.904 -0.394 1.00 20.04 O ATOM 492 CB GLU A 34 18.717 1.532 2.955 1.00 31.24 C ATOM 493 CG GLU A 34 18.481 2.917 2.350 1.00 3.34 C ATOM 494 CD GLU A 34 18.639 4.011 3.408 1.00 11.43 C ATOM 495 OE1 GLU A 34 18.049 5.094 3.273 1.00 20.23 O ATOM 496 OE2 GLU A 34 19.406 3.705 4.399 1.00 12.23 O ATOM 0 H GLU A 34 20.583 1.728 0.836 1.00 5.41 H new ATOM 0 HA GLU A 34 19.262 -0.438 2.357 1.00 74.44 H new ATOM 0 HB2 GLU A 34 17.791 1.161 3.395 1.00 31.24 H new ATOM 0 HB3 GLU A 34 19.447 1.603 3.761 1.00 31.24 H new ATOM 0 HG2 GLU A 34 19.187 3.088 1.537 1.00 3.34 H new ATOM 0 HG3 GLU A 34 17.481 2.964 1.919 1.00 3.34 H new ATOM 504 N THR A 35 17.064 -0.053 0.985 1.00 53.41 N ATOM 505 CA THR A 35 16.044 -0.180 -0.043 1.00 5.31 C ATOM 506 C THR A 35 14.750 -0.734 0.555 1.00 21.14 C ATOM 507 O THR A 35 14.686 -1.018 1.751 1.00 61.05 O ATOM 508 CB THR A 35 16.613 -1.046 -1.168 1.00 44.14 C ATOM 509 OG1 THR A 35 15.487 -1.325 -1.995 1.00 52.11 O ATOM 510 CG2 THR A 35 17.065 -2.423 -0.677 1.00 11.42 C ATOM 0 H THR A 35 16.790 -0.403 1.903 1.00 53.41 H new ATOM 0 HA THR A 35 15.781 0.791 -0.462 1.00 5.31 H new ATOM 0 HB THR A 35 17.455 -0.532 -1.630 1.00 44.14 H new ATOM 0 HG1 THR A 35 15.268 -0.532 -2.528 1.00 52.11 H new ATOM 0 HG21 THR A 35 17.460 -2.997 -1.515 1.00 11.42 H new ATOM 0 HG22 THR A 35 17.841 -2.303 0.079 1.00 11.42 H new ATOM 0 HG23 THR A 35 16.216 -2.952 -0.244 1.00 11.42 H new ATOM 518 N THR A 36 13.750 -0.872 -0.303 1.00 44.31 N ATOM 519 CA THR A 36 12.461 -1.387 0.126 1.00 63.14 C ATOM 520 C THR A 36 11.819 -2.213 -0.991 1.00 23.24 C ATOM 521 O THR A 36 12.133 -2.026 -2.165 1.00 61.42 O ATOM 522 CB THR A 36 11.604 -0.202 0.575 1.00 71.05 C ATOM 523 OG1 THR A 36 11.164 0.390 -0.645 1.00 4.12 O ATOM 524 CG2 THR A 36 12.430 0.897 1.246 1.00 52.10 C ATOM 0 H THR A 36 13.807 -0.636 -1.294 1.00 44.31 H new ATOM 0 HA THR A 36 12.568 -2.067 0.971 1.00 63.14 H new ATOM 0 HB THR A 36 10.836 -0.551 1.265 1.00 71.05 H new ATOM 0 HG1 THR A 36 10.600 1.166 -0.447 1.00 4.12 H new ATOM 0 HG21 THR A 36 11.774 1.714 1.545 1.00 52.10 H new ATOM 0 HG22 THR A 36 12.929 0.491 2.126 1.00 52.10 H new ATOM 0 HG23 THR A 36 13.177 1.270 0.545 1.00 52.10 H new ATOM 532 N THR A 37 10.932 -3.109 -0.584 1.00 71.24 N ATOM 533 CA THR A 37 10.243 -3.965 -1.536 1.00 11.34 C ATOM 534 C THR A 37 8.820 -4.257 -1.056 1.00 72.33 C ATOM 535 O THR A 37 8.553 -4.256 0.144 1.00 13.14 O ATOM 536 CB THR A 37 11.087 -5.224 -1.737 1.00 25.54 C ATOM 537 OG1 THR A 37 10.392 -5.952 -2.745 1.00 53.34 O ATOM 538 CG2 THR A 37 11.055 -6.151 -0.520 1.00 21.53 C ATOM 0 H THR A 37 10.674 -3.261 0.391 1.00 71.24 H new ATOM 0 HA THR A 37 10.132 -3.474 -2.503 1.00 11.34 H new ATOM 0 HB THR A 37 12.117 -4.939 -1.950 1.00 25.54 H new ATOM 0 HG1 THR A 37 10.269 -6.879 -2.453 1.00 53.34 H new ATOM 0 HG21 THR A 37 11.670 -7.029 -0.715 1.00 21.53 H new ATOM 0 HG22 THR A 37 11.443 -5.622 0.350 1.00 21.53 H new ATOM 0 HG23 THR A 37 10.029 -6.463 -0.327 1.00 21.53 H new ATOM 546 N CYS A 38 7.944 -4.501 -2.020 1.00 34.34 N ATOM 547 CA CYS A 38 6.554 -4.795 -1.711 1.00 44.00 C ATOM 548 C CYS A 38 6.283 -6.259 -2.062 1.00 64.23 C ATOM 549 O CYS A 38 6.671 -6.726 -3.132 1.00 74.42 O ATOM 550 CB CYS A 38 5.600 -3.847 -2.440 1.00 63.15 C ATOM 551 SG CYS A 38 5.441 -2.188 -1.685 1.00 54.11 S ATOM 0 H CYS A 38 8.169 -4.501 -3.015 1.00 34.34 H new ATOM 0 HA CYS A 38 6.374 -4.638 -0.647 1.00 44.00 H new ATOM 0 HB2 CYS A 38 5.941 -3.731 -3.469 1.00 63.15 H new ATOM 0 HB3 CYS A 38 4.613 -4.308 -2.481 1.00 63.15 H new ATOM 556 N ALA A 39 5.620 -6.943 -1.141 1.00 44.40 N ATOM 557 CA ALA A 39 5.293 -8.344 -1.340 1.00 62.31 C ATOM 558 C ALA A 39 3.956 -8.652 -0.664 1.00 33.31 C ATOM 559 O ALA A 39 3.682 -8.163 0.431 1.00 25.21 O ATOM 560 CB ALA A 39 6.431 -9.215 -0.805 1.00 24.43 C ATOM 0 H ALA A 39 5.300 -6.552 -0.255 1.00 44.40 H new ATOM 0 HA ALA A 39 5.184 -8.566 -2.402 1.00 62.31 H new ATOM 0 HB1 ALA A 39 6.186 -10.266 -0.954 1.00 24.43 H new ATOM 0 HB2 ALA A 39 7.352 -8.978 -1.338 1.00 24.43 H new ATOM 0 HB3 ALA A 39 6.568 -9.022 0.259 1.00 24.43 H new ATOM 566 N VAL A 40 3.158 -9.462 -1.345 1.00 15.44 N ATOM 567 CA VAL A 40 1.855 -9.841 -0.823 1.00 42.44 C ATOM 568 C VAL A 40 2.042 -10.726 0.410 1.00 3.03 C ATOM 569 O VAL A 40 1.176 -10.773 1.282 1.00 1.13 O ATOM 570 CB VAL A 40 1.027 -10.512 -1.921 1.00 64.12 C ATOM 571 CG1 VAL A 40 0.439 -9.473 -2.878 1.00 3.35 C ATOM 572 CG2 VAL A 40 1.860 -11.547 -2.680 1.00 44.24 C ATOM 0 H VAL A 40 3.388 -9.866 -2.253 1.00 15.44 H new ATOM 0 HA VAL A 40 1.298 -8.959 -0.508 1.00 42.44 H new ATOM 0 HB VAL A 40 0.198 -11.034 -1.443 1.00 64.12 H new ATOM 0 HG11 VAL A 40 -0.145 -9.977 -3.648 1.00 3.35 H new ATOM 0 HG12 VAL A 40 -0.205 -8.791 -2.323 1.00 3.35 H new ATOM 0 HG13 VAL A 40 1.247 -8.910 -3.345 1.00 3.35 H new ATOM 0 HG21 VAL A 40 1.248 -12.009 -3.455 1.00 44.24 H new ATOM 0 HG22 VAL A 40 2.718 -11.057 -3.140 1.00 44.24 H new ATOM 0 HG23 VAL A 40 2.208 -12.313 -1.987 1.00 44.24 H new ATOM 582 N ASP A 41 3.179 -11.406 0.444 1.00 32.11 N ATOM 583 CA ASP A 41 3.491 -12.287 1.556 1.00 33.45 C ATOM 584 C ASP A 41 4.949 -12.082 1.971 1.00 10.42 C ATOM 585 O ASP A 41 5.815 -11.867 1.124 1.00 14.31 O ATOM 586 CB ASP A 41 3.314 -13.755 1.163 1.00 71.24 C ATOM 587 CG ASP A 41 1.887 -14.155 0.782 1.00 60.21 C ATOM 588 OD1 ASP A 41 1.675 -15.003 -0.097 1.00 74.52 O ATOM 589 OD2 ASP A 41 0.957 -13.548 1.438 1.00 22.25 O ATOM 0 H ASP A 41 3.895 -11.364 -0.281 1.00 32.11 H new ATOM 0 HA ASP A 41 2.812 -12.048 2.375 1.00 33.45 H new ATOM 0 HB2 ASP A 41 3.973 -13.972 0.322 1.00 71.24 H new ATOM 0 HB3 ASP A 41 3.641 -14.380 1.994 1.00 71.24 H new ATOM 595 N ALA A 42 5.176 -12.155 3.274 1.00 1.45 N ATOM 596 CA ALA A 42 6.515 -11.979 3.812 1.00 54.11 C ATOM 597 C ALA A 42 7.448 -13.022 3.194 1.00 3.14 C ATOM 598 O ALA A 42 8.667 -12.856 3.210 1.00 40.34 O ATOM 599 CB ALA A 42 6.468 -12.069 5.338 1.00 31.25 C ATOM 0 H ALA A 42 4.455 -12.334 3.974 1.00 1.45 H new ATOM 0 HA ALA A 42 6.906 -10.994 3.556 1.00 54.11 H new ATOM 0 HB1 ALA A 42 7.472 -11.937 5.741 1.00 31.25 H new ATOM 0 HB2 ALA A 42 5.815 -11.289 5.729 1.00 31.25 H new ATOM 0 HB3 ALA A 42 6.084 -13.045 5.633 1.00 31.25 H new ATOM 605 N ALA A 43 6.841 -14.074 2.666 1.00 70.12 N ATOM 606 CA ALA A 43 7.603 -15.144 2.044 1.00 32.03 C ATOM 607 C ALA A 43 8.259 -14.621 0.765 1.00 10.52 C ATOM 608 O ALA A 43 9.409 -14.946 0.475 1.00 22.03 O ATOM 609 CB ALA A 43 6.684 -16.339 1.781 1.00 1.14 C ATOM 0 H ALA A 43 5.830 -14.209 2.656 1.00 70.12 H new ATOM 0 HA ALA A 43 8.399 -15.484 2.707 1.00 32.03 H new ATOM 0 HB1 ALA A 43 7.255 -17.142 1.314 1.00 1.14 H new ATOM 0 HB2 ALA A 43 6.267 -16.692 2.724 1.00 1.14 H new ATOM 0 HB3 ALA A 43 5.875 -16.036 1.117 1.00 1.14 H new ATOM 615 N THR A 44 7.499 -13.818 0.034 1.00 23.21 N ATOM 616 CA THR A 44 7.993 -13.246 -1.207 1.00 74.53 C ATOM 617 C THR A 44 9.049 -12.178 -0.920 1.00 11.24 C ATOM 618 O THR A 44 10.087 -12.132 -1.578 1.00 73.42 O ATOM 619 CB THR A 44 6.792 -12.718 -1.994 1.00 52.33 C ATOM 620 OG1 THR A 44 6.263 -13.873 -2.638 1.00 75.43 O ATOM 621 CG2 THR A 44 7.205 -11.804 -3.150 1.00 3.23 C ATOM 0 H THR A 44 6.545 -13.550 0.277 1.00 23.21 H new ATOM 0 HA THR A 44 8.495 -13.997 -1.817 1.00 74.53 H new ATOM 0 HB THR A 44 6.128 -12.175 -1.321 1.00 52.33 H new ATOM 0 HG1 THR A 44 5.479 -13.621 -3.169 1.00 75.43 H new ATOM 0 HG21 THR A 44 6.315 -11.457 -3.675 1.00 3.23 H new ATOM 0 HG22 THR A 44 7.752 -10.947 -2.758 1.00 3.23 H new ATOM 0 HG23 THR A 44 7.842 -12.356 -3.841 1.00 3.23 H new ATOM 629 N ALA A 45 8.748 -11.344 0.065 1.00 51.10 N ATOM 630 CA ALA A 45 9.659 -10.278 0.448 1.00 34.41 C ATOM 631 C ALA A 45 10.930 -10.889 1.042 1.00 52.24 C ATOM 632 O ALA A 45 12.028 -10.379 0.824 1.00 52.15 O ATOM 633 CB ALA A 45 8.956 -9.332 1.423 1.00 32.15 C ATOM 0 H ALA A 45 7.886 -11.385 0.609 1.00 51.10 H new ATOM 0 HA ALA A 45 9.951 -9.691 -0.423 1.00 34.41 H new ATOM 0 HB1 ALA A 45 9.639 -8.533 1.710 1.00 32.15 H new ATOM 0 HB2 ALA A 45 8.076 -8.903 0.943 1.00 32.15 H new ATOM 0 HB3 ALA A 45 8.651 -9.886 2.311 1.00 32.15 H new ATOM 639 N GLU A 46 10.739 -11.972 1.780 1.00 12.02 N ATOM 640 CA GLU A 46 11.856 -12.657 2.407 1.00 65.23 C ATOM 641 C GLU A 46 12.855 -13.124 1.346 1.00 71.43 C ATOM 642 O GLU A 46 14.050 -12.853 1.451 1.00 61.42 O ATOM 643 CB GLU A 46 11.372 -13.832 3.258 1.00 34.13 C ATOM 644 CG GLU A 46 12.552 -14.630 3.815 1.00 64.22 C ATOM 645 CD GLU A 46 12.138 -15.434 5.049 1.00 1.32 C ATOM 646 OE1 GLU A 46 12.063 -14.877 6.155 1.00 54.14 O ATOM 647 OE2 GLU A 46 11.889 -16.680 4.830 1.00 33.20 O ATOM 0 H GLU A 46 9.827 -12.392 1.958 1.00 12.02 H new ATOM 0 HA GLU A 46 12.361 -11.955 3.070 1.00 65.23 H new ATOM 0 HB2 GLU A 46 10.759 -13.462 4.080 1.00 34.13 H new ATOM 0 HB3 GLU A 46 10.739 -14.484 2.657 1.00 34.13 H new ATOM 0 HG2 GLU A 46 12.933 -15.305 3.048 1.00 64.22 H new ATOM 0 HG3 GLU A 46 13.364 -13.951 4.075 1.00 64.22 H new ATOM 655 N LYS A 47 12.328 -13.819 0.348 1.00 52.52 N ATOM 656 CA LYS A 47 13.158 -14.326 -0.731 1.00 51.14 C ATOM 657 C LYS A 47 13.823 -13.152 -1.453 1.00 1.14 C ATOM 658 O LYS A 47 14.997 -13.224 -1.811 1.00 64.15 O ATOM 659 CB LYS A 47 12.341 -15.232 -1.655 1.00 42.10 C ATOM 660 CG LYS A 47 11.125 -14.491 -2.215 1.00 2.01 C ATOM 661 CD LYS A 47 10.446 -15.306 -3.317 1.00 61.23 C ATOM 662 CE LYS A 47 11.272 -15.283 -4.605 1.00 4.53 C ATOM 663 NZ LYS A 47 11.233 -13.938 -5.221 1.00 52.44 N ATOM 0 H LYS A 47 11.336 -14.043 0.264 1.00 52.52 H new ATOM 0 HA LYS A 47 13.958 -14.951 -0.334 1.00 51.14 H new ATOM 0 HB2 LYS A 47 12.968 -15.581 -2.475 1.00 42.10 H new ATOM 0 HB3 LYS A 47 12.013 -16.115 -1.107 1.00 42.10 H new ATOM 0 HG2 LYS A 47 10.414 -14.294 -1.413 1.00 2.01 H new ATOM 0 HG3 LYS A 47 11.435 -13.524 -2.611 1.00 2.01 H new ATOM 0 HD2 LYS A 47 10.314 -16.335 -2.984 1.00 61.23 H new ATOM 0 HD3 LYS A 47 9.452 -14.904 -3.511 1.00 61.23 H new ATOM 0 HE2 LYS A 47 12.303 -15.560 -4.388 1.00 4.53 H new ATOM 0 HE3 LYS A 47 10.884 -16.022 -5.306 1.00 4.53 H new ATOM 0 HZ1 LYS A 47 11.508 -14.006 -6.222 1.00 52.44 H new ATOM 0 HZ2 LYS A 47 10.269 -13.553 -5.153 1.00 52.44 H new ATOM 0 HZ3 LYS A 47 11.894 -13.308 -4.722 1.00 52.44 H new ATOM 676 N VAL A 48 13.044 -12.098 -1.643 1.00 54.32 N ATOM 677 CA VAL A 48 13.542 -10.910 -2.315 1.00 45.21 C ATOM 678 C VAL A 48 14.702 -10.321 -1.508 1.00 35.50 C ATOM 679 O VAL A 48 15.706 -9.896 -2.077 1.00 14.32 O ATOM 680 CB VAL A 48 12.401 -9.915 -2.535 1.00 2.32 C ATOM 681 CG1 VAL A 48 12.934 -8.571 -3.037 1.00 22.25 C ATOM 682 CG2 VAL A 48 11.355 -10.483 -3.496 1.00 65.31 C ATOM 0 H VAL A 48 12.071 -12.042 -1.343 1.00 54.32 H new ATOM 0 HA VAL A 48 13.928 -11.164 -3.302 1.00 45.21 H new ATOM 0 HB VAL A 48 11.916 -9.745 -1.574 1.00 2.32 H new ATOM 0 HG11 VAL A 48 12.102 -7.882 -3.185 1.00 22.25 H new ATOM 0 HG12 VAL A 48 13.623 -8.155 -2.302 1.00 22.25 H new ATOM 0 HG13 VAL A 48 13.457 -8.717 -3.982 1.00 22.25 H new ATOM 0 HG21 VAL A 48 10.555 -9.755 -3.635 1.00 65.31 H new ATOM 0 HG22 VAL A 48 11.822 -10.697 -4.457 1.00 65.31 H new ATOM 0 HG23 VAL A 48 10.941 -11.402 -3.082 1.00 65.31 H new ATOM 692 N PHE A 49 14.524 -10.317 -0.195 1.00 52.41 N ATOM 693 CA PHE A 49 15.542 -9.788 0.696 1.00 4.50 C ATOM 694 C PHE A 49 16.782 -10.684 0.705 1.00 44.21 C ATOM 695 O PHE A 49 17.909 -10.191 0.702 1.00 3.42 O ATOM 696 CB PHE A 49 14.937 -9.760 2.101 1.00 63.41 C ATOM 697 CG PHE A 49 15.974 -9.691 3.224 1.00 63.41 C ATOM 698 CD1 PHE A 49 17.151 -9.039 3.024 1.00 73.00 C ATOM 699 CD2 PHE A 49 15.719 -10.283 4.422 1.00 45.50 C ATOM 700 CE1 PHE A 49 18.113 -8.975 4.066 1.00 0.12 C ATOM 701 CE2 PHE A 49 16.682 -10.218 5.464 1.00 32.51 C ATOM 702 CZ PHE A 49 17.858 -9.566 5.264 1.00 2.03 C ATOM 0 H PHE A 49 13.690 -10.672 0.273 1.00 52.41 H new ATOM 0 HA PHE A 49 15.847 -8.795 0.365 1.00 4.50 H new ATOM 0 HB2 PHE A 49 14.271 -8.901 2.182 1.00 63.41 H new ATOM 0 HB3 PHE A 49 14.325 -10.651 2.240 1.00 63.41 H new ATOM 0 HD1 PHE A 49 17.354 -8.570 2.072 1.00 73.00 H new ATOM 0 HD2 PHE A 49 14.785 -10.802 4.581 1.00 45.50 H new ATOM 0 HE1 PHE A 49 19.047 -8.457 3.907 1.00 0.12 H new ATOM 0 HE2 PHE A 49 16.480 -10.687 6.416 1.00 32.51 H new ATOM 0 HZ PHE A 49 18.590 -9.517 6.057 1.00 2.03 H new ATOM 712 N LYS A 50 16.533 -11.985 0.715 1.00 12.12 N ATOM 713 CA LYS A 50 17.615 -12.955 0.724 1.00 11.44 C ATOM 714 C LYS A 50 18.374 -12.878 -0.602 1.00 74.31 C ATOM 715 O LYS A 50 19.592 -13.043 -0.635 1.00 21.32 O ATOM 716 CB LYS A 50 17.080 -14.351 1.048 1.00 62.24 C ATOM 717 CG LYS A 50 16.291 -14.346 2.359 1.00 63.44 C ATOM 718 CD LYS A 50 17.166 -14.807 3.527 1.00 52.15 C ATOM 719 CE LYS A 50 16.641 -14.257 4.854 1.00 3.04 C ATOM 720 NZ LYS A 50 17.032 -15.144 5.973 1.00 12.11 N ATOM 0 H LYS A 50 15.597 -12.391 0.717 1.00 12.12 H new ATOM 0 HA LYS A 50 18.329 -12.722 1.514 1.00 11.44 H new ATOM 0 HB2 LYS A 50 16.440 -14.697 0.236 1.00 62.24 H new ATOM 0 HB3 LYS A 50 17.910 -15.054 1.122 1.00 62.24 H new ATOM 0 HG2 LYS A 50 15.913 -13.343 2.557 1.00 63.44 H new ATOM 0 HG3 LYS A 50 15.424 -15.001 2.269 1.00 63.44 H new ATOM 0 HD2 LYS A 50 17.187 -15.896 3.563 1.00 52.15 H new ATOM 0 HD3 LYS A 50 18.192 -14.474 3.371 1.00 52.15 H new ATOM 0 HE2 LYS A 50 17.036 -13.255 5.021 1.00 3.04 H new ATOM 0 HE3 LYS A 50 15.555 -14.169 4.814 1.00 3.04 H new ATOM 0 HZ1 LYS A 50 16.668 -14.756 6.867 1.00 12.11 H new ATOM 0 HZ2 LYS A 50 16.634 -16.093 5.819 1.00 12.11 H new ATOM 0 HZ3 LYS A 50 18.069 -15.207 6.020 1.00 12.11 H new ATOM 733 N GLN A 51 17.621 -12.628 -1.664 1.00 24.33 N ATOM 734 CA GLN A 51 18.208 -12.528 -2.989 1.00 73.25 C ATOM 735 C GLN A 51 18.975 -11.212 -3.133 1.00 30.34 C ATOM 736 O GLN A 51 19.931 -11.127 -3.902 1.00 74.44 O ATOM 737 CB GLN A 51 17.136 -12.659 -4.074 1.00 4.10 C ATOM 738 CG GLN A 51 17.744 -13.154 -5.388 1.00 30.21 C ATOM 739 CD GLN A 51 17.852 -14.680 -5.401 1.00 70.41 C ATOM 740 OE1 GLN A 51 17.193 -15.382 -4.651 1.00 53.43 O ATOM 741 NE2 GLN A 51 18.718 -15.154 -6.293 1.00 12.22 N ATOM 0 H GLN A 51 16.611 -12.492 -1.633 1.00 24.33 H new ATOM 0 HA GLN A 51 18.911 -13.351 -3.116 1.00 73.25 H new ATOM 0 HB2 GLN A 51 16.362 -13.352 -3.744 1.00 4.10 H new ATOM 0 HB3 GLN A 51 16.654 -11.694 -4.233 1.00 4.10 H new ATOM 0 HG2 GLN A 51 17.130 -12.822 -6.225 1.00 30.21 H new ATOM 0 HG3 GLN A 51 18.732 -12.715 -5.524 1.00 30.21 H new ATOM 0 HE21 GLN A 51 19.238 -14.511 -6.891 1.00 12.22 H new ATOM 0 HE22 GLN A 51 18.862 -16.160 -6.379 1.00 12.22 H new ATOM 750 N TYR A 52 18.528 -10.219 -2.379 1.00 11.41 N ATOM 751 CA TYR A 52 19.161 -8.911 -2.412 1.00 54.11 C ATOM 752 C TYR A 52 20.534 -8.949 -1.740 1.00 24.22 C ATOM 753 O TYR A 52 21.529 -8.524 -2.326 1.00 55.21 O ATOM 754 CB TYR A 52 18.243 -7.978 -1.618 1.00 64.44 C ATOM 755 CG TYR A 52 18.029 -6.612 -2.272 1.00 73.13 C ATOM 756 CD1 TYR A 52 19.047 -5.681 -2.275 1.00 2.51 C ATOM 757 CD2 TYR A 52 16.817 -6.311 -2.859 1.00 54.25 C ATOM 758 CE1 TYR A 52 18.845 -4.394 -2.890 1.00 61.54 C ATOM 759 CE2 TYR A 52 16.615 -5.025 -3.475 1.00 14.20 C ATOM 760 CZ TYR A 52 17.639 -4.130 -3.460 1.00 72.11 C ATOM 761 OH TYR A 52 17.448 -2.915 -4.041 1.00 70.53 O ATOM 0 H TYR A 52 17.735 -10.293 -1.742 1.00 11.41 H new ATOM 0 HA TYR A 52 19.305 -8.580 -3.441 1.00 54.11 H new ATOM 0 HB2 TYR A 52 17.275 -8.462 -1.487 1.00 64.44 H new ATOM 0 HB3 TYR A 52 18.664 -7.831 -0.623 1.00 64.44 H new ATOM 0 HD1 TYR A 52 19.996 -5.917 -1.816 1.00 2.51 H new ATOM 0 HD2 TYR A 52 16.020 -7.040 -2.856 1.00 54.25 H new ATOM 0 HE1 TYR A 52 19.633 -3.656 -2.898 1.00 61.54 H new ATOM 0 HE2 TYR A 52 15.672 -4.777 -3.938 1.00 14.20 H new ATOM 0 HH TYR A 52 16.834 -2.383 -3.493 1.00 70.53 H new ATOM 771 N ALA A 53 20.546 -9.463 -0.519 1.00 0.04 N ATOM 772 CA ALA A 53 21.781 -9.562 0.240 1.00 65.42 C ATOM 773 C ALA A 53 22.776 -10.436 -0.527 1.00 23.45 C ATOM 774 O ALA A 53 23.981 -10.188 -0.493 1.00 34.23 O ATOM 775 CB ALA A 53 21.481 -10.109 1.637 1.00 75.13 C ATOM 0 H ALA A 53 19.720 -9.816 -0.036 1.00 0.04 H new ATOM 0 HA ALA A 53 22.234 -8.578 0.366 1.00 65.42 H new ATOM 0 HB1 ALA A 53 22.408 -10.183 2.206 1.00 75.13 H new ATOM 0 HB2 ALA A 53 20.793 -9.438 2.151 1.00 75.13 H new ATOM 0 HB3 ALA A 53 21.028 -11.097 1.551 1.00 75.13 H new ATOM 781 N ASN A 54 22.236 -11.442 -1.200 1.00 11.54 N ATOM 782 CA ASN A 54 23.061 -12.354 -1.973 1.00 41.31 C ATOM 783 C ASN A 54 23.639 -11.613 -3.180 1.00 44.52 C ATOM 784 O ASN A 54 24.792 -11.828 -3.552 1.00 20.04 O ATOM 785 CB ASN A 54 22.239 -13.534 -2.493 1.00 35.30 C ATOM 786 CG ASN A 54 22.211 -14.675 -1.473 1.00 50.33 C ATOM 787 OD1 ASN A 54 22.582 -15.803 -1.754 1.00 52.54 O ATOM 788 ND2 ASN A 54 21.752 -14.319 -0.277 1.00 21.44 N ATOM 0 H ASN A 54 21.237 -11.645 -1.226 1.00 11.54 H new ATOM 0 HA ASN A 54 23.853 -12.725 -1.323 1.00 41.31 H new ATOM 0 HB2 ASN A 54 21.221 -13.207 -2.706 1.00 35.30 H new ATOM 0 HB3 ASN A 54 22.662 -13.891 -3.432 1.00 35.30 H new ATOM 0 HD21 ASN A 54 21.694 -15.008 0.473 1.00 21.44 H new ATOM 0 HD22 ASN A 54 21.458 -13.357 -0.109 1.00 21.44 H new ATOM 795 N ASP A 55 22.812 -10.754 -3.759 1.00 64.52 N ATOM 796 CA ASP A 55 23.227 -9.980 -4.917 1.00 22.23 C ATOM 797 C ASP A 55 24.363 -9.038 -4.514 1.00 0.51 C ATOM 798 O ASP A 55 25.130 -8.585 -5.363 1.00 32.43 O ATOM 799 CB ASP A 55 22.074 -9.129 -5.452 1.00 60.21 C ATOM 800 CG ASP A 55 22.395 -8.325 -6.713 1.00 62.05 C ATOM 801 OD1 ASP A 55 22.691 -7.123 -6.646 1.00 53.34 O ATOM 802 OD2 ASP A 55 22.332 -8.992 -7.816 1.00 12.11 O ATOM 0 H ASP A 55 21.857 -10.577 -3.448 1.00 64.52 H new ATOM 0 HA ASP A 55 23.550 -10.676 -5.691 1.00 22.23 H new ATOM 0 HB2 ASP A 55 21.227 -9.782 -5.662 1.00 60.21 H new ATOM 0 HB3 ASP A 55 21.758 -8.439 -4.670 1.00 60.21 H new ATOM 808 N ASN A 56 24.435 -8.769 -3.218 1.00 60.14 N ATOM 809 CA ASN A 56 25.464 -7.888 -2.693 1.00 23.43 C ATOM 810 C ASN A 56 26.680 -8.721 -2.280 1.00 33.11 C ATOM 811 O ASN A 56 27.780 -8.191 -2.136 1.00 1.43 O ATOM 812 CB ASN A 56 24.966 -7.135 -1.458 1.00 43.30 C ATOM 813 CG ASN A 56 23.855 -6.151 -1.828 1.00 15.32 C ATOM 814 OD1 ASN A 56 23.045 -6.585 -2.789 1.00 62.54 O flip ATOM 815 ND2 ASN A 56 23.739 -5.068 -1.276 1.00 62.44 N flip ATOM 0 H ASN A 56 23.797 -9.146 -2.517 1.00 60.14 H new ATOM 0 HA ASN A 56 25.725 -7.171 -3.472 1.00 23.43 H new ATOM 0 HB2 ASN A 56 24.596 -7.846 -0.719 1.00 43.30 H new ATOM 0 HB3 ASN A 56 25.794 -6.597 -0.997 1.00 43.30 H new ATOM 0 HD21 ASN A 56 24.396 -4.795 -0.545 1.00 62.44 H new ATOM 0 HD22 ASN A 56 22.985 -4.436 -1.546 1.00 62.44 H new ATOM 822 N GLY A 57 26.440 -10.012 -2.101 1.00 53.24 N ATOM 823 CA GLY A 57 27.501 -10.923 -1.708 1.00 40.01 C ATOM 824 C GLY A 57 27.935 -10.669 -0.263 1.00 14.40 C ATOM 825 O GLY A 57 29.046 -11.023 0.127 1.00 42.42 O ATOM 0 H GLY A 57 25.526 -10.448 -2.221 1.00 53.24 H new ATOM 0 HA2 GLY A 57 27.159 -11.952 -1.813 1.00 40.01 H new ATOM 0 HA3 GLY A 57 28.355 -10.802 -2.375 1.00 40.01 H new ATOM 829 N VAL A 58 27.034 -10.057 0.492 1.00 2.23 N ATOM 830 CA VAL A 58 27.310 -9.751 1.886 1.00 53.22 C ATOM 831 C VAL A 58 26.444 -10.641 2.780 1.00 54.34 C ATOM 832 O VAL A 58 25.242 -10.771 2.554 1.00 74.02 O ATOM 833 CB VAL A 58 27.099 -8.258 2.145 1.00 5.32 C ATOM 834 CG1 VAL A 58 27.192 -7.943 3.640 1.00 52.45 C ATOM 835 CG2 VAL A 58 28.096 -7.417 1.345 1.00 52.42 C ATOM 0 H VAL A 58 26.113 -9.765 0.165 1.00 2.23 H new ATOM 0 HA VAL A 58 28.352 -9.965 2.125 1.00 53.22 H new ATOM 0 HB VAL A 58 26.095 -7.998 1.809 1.00 5.32 H new ATOM 0 HG11 VAL A 58 27.038 -6.875 3.797 1.00 52.45 H new ATOM 0 HG12 VAL A 58 26.427 -8.503 4.178 1.00 52.45 H new ATOM 0 HG13 VAL A 58 28.177 -8.226 4.011 1.00 52.45 H new ATOM 0 HG21 VAL A 58 27.925 -6.360 1.547 1.00 52.42 H new ATOM 0 HG22 VAL A 58 29.112 -7.682 1.637 1.00 52.42 H new ATOM 0 HG23 VAL A 58 27.962 -7.609 0.280 1.00 52.42 H new ATOM 845 N ASP A 59 27.088 -11.230 3.776 1.00 63.11 N ATOM 846 CA ASP A 59 26.392 -12.104 4.705 1.00 51.12 C ATOM 847 C ASP A 59 26.993 -11.939 6.102 1.00 42.21 C ATOM 848 O ASP A 59 28.196 -11.726 6.243 1.00 45.35 O ATOM 849 CB ASP A 59 26.540 -13.571 4.297 1.00 74.01 C ATOM 850 CG ASP A 59 27.940 -13.975 3.832 1.00 23.25 C ATOM 851 OD1 ASP A 59 28.564 -13.287 3.011 1.00 61.10 O ATOM 852 OD2 ASP A 59 28.396 -15.062 4.357 1.00 3.24 O ATOM 0 H ASP A 59 28.085 -11.119 3.960 1.00 63.11 H new ATOM 0 HA ASP A 59 25.336 -11.832 4.697 1.00 51.12 H new ATOM 0 HB2 ASP A 59 26.260 -14.198 5.144 1.00 74.01 H new ATOM 0 HB3 ASP A 59 25.832 -13.783 3.496 1.00 74.01 H new ATOM 858 N GLY A 60 26.128 -12.043 7.100 1.00 60.42 N ATOM 859 CA GLY A 60 26.559 -11.908 8.481 1.00 33.30 C ATOM 860 C GLY A 60 25.381 -12.085 9.442 1.00 25.22 C ATOM 861 O GLY A 60 24.773 -13.153 9.495 1.00 65.22 O ATOM 0 H GLY A 60 25.131 -12.219 6.980 1.00 60.42 H new ATOM 0 HA2 GLY A 60 27.327 -12.650 8.700 1.00 33.30 H new ATOM 0 HA3 GLY A 60 27.011 -10.928 8.631 1.00 33.30 H new ATOM 865 N GLU A 61 25.095 -11.022 10.179 1.00 43.32 N ATOM 866 CA GLU A 61 24.002 -11.046 11.135 1.00 12.03 C ATOM 867 C GLU A 61 22.723 -10.506 10.493 1.00 54.40 C ATOM 868 O GLU A 61 22.641 -9.323 10.163 1.00 20.42 O ATOM 869 CB GLU A 61 24.358 -10.256 12.396 1.00 44.21 C ATOM 870 CG GLU A 61 23.157 -10.154 13.338 1.00 72.43 C ATOM 871 CD GLU A 61 22.829 -11.515 13.957 1.00 51.25 C ATOM 872 OE1 GLU A 61 22.040 -12.282 13.385 1.00 15.42 O ATOM 873 OE2 GLU A 61 23.428 -11.765 15.071 1.00 33.24 O ATOM 0 H GLU A 61 25.602 -10.138 10.133 1.00 43.32 H new ATOM 0 HA GLU A 61 23.828 -12.080 11.431 1.00 12.03 H new ATOM 0 HB2 GLU A 61 25.188 -10.741 12.911 1.00 44.21 H new ATOM 0 HB3 GLU A 61 24.694 -9.256 12.120 1.00 44.21 H new ATOM 0 HG2 GLU A 61 23.370 -9.433 14.127 1.00 72.43 H new ATOM 0 HG3 GLU A 61 22.291 -9.781 12.791 1.00 72.43 H new ATOM 881 N TRP A 62 21.756 -11.397 10.335 1.00 74.34 N ATOM 882 CA TRP A 62 20.484 -11.025 9.738 1.00 44.34 C ATOM 883 C TRP A 62 19.500 -10.724 10.870 1.00 45.50 C ATOM 884 O TRP A 62 19.281 -11.559 11.745 1.00 22.43 O ATOM 885 CB TRP A 62 19.985 -12.114 8.786 1.00 44.30 C ATOM 886 CG TRP A 62 20.888 -12.340 7.571 1.00 13.03 C ATOM 887 CD1 TRP A 62 22.182 -12.686 7.558 1.00 22.42 C ATOM 888 CD2 TRP A 62 20.508 -12.221 6.184 1.00 10.10 C ATOM 889 NE1 TRP A 62 22.663 -12.799 6.269 1.00 13.23 N ATOM 890 CE2 TRP A 62 21.612 -12.507 5.407 1.00 1.22 C ATOM 891 CE3 TRP A 62 19.272 -11.883 5.605 1.00 43.12 C ATOM 892 CZ2 TRP A 62 21.591 -12.484 4.008 1.00 45.35 C ATOM 893 CZ3 TRP A 62 19.268 -11.864 4.205 1.00 62.22 C ATOM 894 CH2 TRP A 62 20.371 -12.149 3.408 1.00 21.45 C ATOM 0 H TRP A 62 21.827 -12.377 10.610 1.00 74.34 H new ATOM 0 HA TRP A 62 20.593 -10.131 9.125 1.00 44.34 H new ATOM 0 HB2 TRP A 62 19.894 -13.050 9.337 1.00 44.30 H new ATOM 0 HB3 TRP A 62 18.986 -11.849 8.439 1.00 44.30 H new ATOM 0 HD1 TRP A 62 22.775 -12.855 8.445 1.00 22.42 H new ATOM 0 HE1 TRP A 62 23.614 -13.050 5.999 1.00 13.23 H new ATOM 0 HE3 TRP A 62 18.395 -11.656 6.193 1.00 43.12 H new ATOM 0 HZ2 TRP A 62 22.469 -12.712 3.422 1.00 45.35 H new ATOM 0 HZ3 TRP A 62 18.343 -11.610 3.709 1.00 62.22 H new ATOM 0 HH2 TRP A 62 20.287 -12.112 2.332 1.00 21.45 H new ATOM 905 N THR A 63 18.934 -9.527 10.816 1.00 20.01 N ATOM 906 CA THR A 63 17.979 -9.105 11.826 1.00 34.13 C ATOM 907 C THR A 63 16.761 -8.452 11.169 1.00 2.02 C ATOM 908 O THR A 63 16.906 -7.608 10.287 1.00 50.54 O ATOM 909 CB THR A 63 18.705 -8.185 12.809 1.00 3.02 C ATOM 910 OG1 THR A 63 17.680 -7.744 13.695 1.00 52.01 O ATOM 911 CG2 THR A 63 19.205 -6.899 12.148 1.00 52.03 C ATOM 0 H THR A 63 19.119 -8.836 10.088 1.00 20.01 H new ATOM 0 HA THR A 63 17.591 -9.958 12.383 1.00 34.13 H new ATOM 0 HB THR A 63 19.548 -8.718 13.249 1.00 3.02 H new ATOM 0 HG1 THR A 63 18.065 -7.143 14.367 1.00 52.01 H new ATOM 0 HG21 THR A 63 19.713 -6.282 12.890 1.00 52.03 H new ATOM 0 HG22 THR A 63 19.900 -7.148 11.346 1.00 52.03 H new ATOM 0 HG23 THR A 63 18.359 -6.349 11.736 1.00 52.03 H new ATOM 919 N TYR A 64 15.589 -8.868 11.625 1.00 54.31 N ATOM 920 CA TYR A 64 14.347 -8.334 11.092 1.00 13.33 C ATOM 921 C TYR A 64 13.372 -7.985 12.219 1.00 71.11 C ATOM 922 O TYR A 64 13.206 -8.757 13.162 1.00 3.13 O ATOM 923 CB TYR A 64 13.741 -9.448 10.237 1.00 61.13 C ATOM 924 CG TYR A 64 12.215 -9.399 10.140 1.00 40.54 C ATOM 925 CD1 TYR A 64 11.610 -8.606 9.186 1.00 54.42 C ATOM 926 CD2 TYR A 64 11.444 -10.147 11.006 1.00 53.34 C ATOM 927 CE1 TYR A 64 10.173 -8.559 9.094 1.00 3.14 C ATOM 928 CE2 TYR A 64 10.007 -10.100 10.914 1.00 4.02 C ATOM 929 CZ TYR A 64 9.443 -9.308 9.963 1.00 21.41 C ATOM 930 OH TYR A 64 8.087 -9.264 9.877 1.00 75.33 O ATOM 0 H TYR A 64 15.473 -9.568 12.357 1.00 54.31 H new ATOM 0 HA TYR A 64 14.534 -7.424 10.522 1.00 13.33 H new ATOM 0 HB2 TYR A 64 14.161 -9.390 9.233 1.00 61.13 H new ATOM 0 HB3 TYR A 64 14.038 -10.412 10.651 1.00 61.13 H new ATOM 0 HD1 TYR A 64 12.214 -8.021 8.508 1.00 54.42 H new ATOM 0 HD2 TYR A 64 11.918 -10.767 11.752 1.00 53.34 H new ATOM 0 HE1 TYR A 64 9.687 -7.943 8.352 1.00 3.14 H new ATOM 0 HE2 TYR A 64 9.391 -10.681 11.585 1.00 4.02 H new ATOM 0 HH TYR A 64 7.696 -9.812 10.590 1.00 75.33 H new ATOM 940 N ASP A 65 12.752 -6.822 12.083 1.00 2.03 N ATOM 941 CA ASP A 65 11.798 -6.362 13.078 1.00 3.31 C ATOM 942 C ASP A 65 10.418 -6.230 12.432 1.00 74.30 C ATOM 943 O ASP A 65 10.186 -5.323 11.634 1.00 75.50 O ATOM 944 CB ASP A 65 12.195 -4.991 13.629 1.00 40.44 C ATOM 945 CG ASP A 65 13.023 -5.025 14.915 1.00 34.00 C ATOM 946 OD1 ASP A 65 14.262 -5.019 14.877 1.00 10.35 O ATOM 947 OD2 ASP A 65 12.334 -5.060 16.005 1.00 20.04 O ATOM 0 H ASP A 65 12.892 -6.185 11.299 1.00 2.03 H new ATOM 0 HA ASP A 65 11.783 -7.087 13.892 1.00 3.31 H new ATOM 0 HB2 ASP A 65 12.761 -4.459 12.864 1.00 40.44 H new ATOM 0 HB3 ASP A 65 11.289 -4.414 13.814 1.00 40.44 H new ATOM 953 N ASP A 66 9.537 -7.149 12.801 1.00 41.11 N ATOM 954 CA ASP A 66 8.186 -7.147 12.267 1.00 35.13 C ATOM 955 C ASP A 66 7.482 -5.852 12.678 1.00 74.14 C ATOM 956 O ASP A 66 6.497 -5.453 12.057 1.00 21.24 O ATOM 957 CB ASP A 66 7.374 -8.321 12.818 1.00 22.34 C ATOM 958 CG ASP A 66 6.093 -8.641 12.046 1.00 61.44 C ATOM 959 OD1 ASP A 66 5.150 -7.837 12.012 1.00 32.30 O ATOM 960 OD2 ASP A 66 6.086 -9.787 11.452 1.00 1.15 O ATOM 0 H ASP A 66 9.733 -7.900 13.463 1.00 41.11 H new ATOM 0 HA ASP A 66 8.252 -7.232 11.182 1.00 35.13 H new ATOM 0 HB2 ASP A 66 8.007 -9.209 12.826 1.00 22.34 H new ATOM 0 HB3 ASP A 66 7.112 -8.107 13.854 1.00 22.34 H new ATOM 966 N ALA A 67 8.014 -5.232 13.720 1.00 10.51 N ATOM 967 CA ALA A 67 7.449 -3.990 14.221 1.00 40.25 C ATOM 968 C ALA A 67 7.458 -2.944 13.104 1.00 73.02 C ATOM 969 O ALA A 67 6.627 -2.037 13.091 1.00 75.40 O ATOM 970 CB ALA A 67 8.232 -3.533 15.453 1.00 13.02 C ATOM 0 H ALA A 67 8.831 -5.566 14.232 1.00 10.51 H new ATOM 0 HA ALA A 67 6.414 -4.136 14.528 1.00 40.25 H new ATOM 0 HB1 ALA A 67 7.808 -2.602 15.829 1.00 13.02 H new ATOM 0 HB2 ALA A 67 8.171 -4.298 16.227 1.00 13.02 H new ATOM 0 HB3 ALA A 67 9.276 -3.374 15.182 1.00 13.02 H new ATOM 976 N THR A 68 8.407 -3.105 12.193 1.00 13.03 N ATOM 977 CA THR A 68 8.535 -2.186 11.075 1.00 34.01 C ATOM 978 C THR A 68 8.888 -2.948 9.796 1.00 35.13 C ATOM 979 O THR A 68 9.284 -2.346 8.800 1.00 41.22 O ATOM 980 CB THR A 68 9.567 -1.122 11.453 1.00 22.21 C ATOM 981 OG1 THR A 68 9.788 -0.407 10.241 1.00 43.23 O ATOM 982 CG2 THR A 68 10.934 -1.725 11.785 1.00 40.42 C ATOM 0 H THR A 68 9.094 -3.858 12.207 1.00 13.03 H new ATOM 0 HA THR A 68 7.591 -1.683 10.866 1.00 34.01 H new ATOM 0 HB THR A 68 9.204 -0.552 12.308 1.00 22.21 H new ATOM 0 HG1 THR A 68 9.165 -0.726 9.555 1.00 43.23 H new ATOM 0 HG21 THR A 68 11.630 -0.928 12.046 1.00 40.42 H new ATOM 0 HG22 THR A 68 10.835 -2.410 12.627 1.00 40.42 H new ATOM 0 HG23 THR A 68 11.313 -2.267 10.919 1.00 40.42 H new ATOM 990 N LYS A 69 8.731 -4.262 9.866 1.00 15.21 N ATOM 991 CA LYS A 69 9.028 -5.113 8.726 1.00 13.42 C ATOM 992 C LYS A 69 10.296 -4.607 8.035 1.00 33.50 C ATOM 993 O LYS A 69 10.286 -4.334 6.836 1.00 43.12 O ATOM 994 CB LYS A 69 7.816 -5.206 7.797 1.00 51.53 C ATOM 995 CG LYS A 69 6.524 -5.389 8.596 1.00 4.02 C ATOM 996 CD LYS A 69 6.437 -6.800 9.180 1.00 33.51 C ATOM 997 CE LYS A 69 5.074 -7.431 8.887 1.00 61.42 C ATOM 998 NZ LYS A 69 5.045 -8.838 9.346 1.00 34.02 N ATOM 0 H LYS A 69 8.402 -4.758 10.694 1.00 15.21 H new ATOM 0 HA LYS A 69 9.228 -6.133 9.053 1.00 13.42 H new ATOM 0 HB2 LYS A 69 7.748 -4.303 7.191 1.00 51.53 H new ATOM 0 HB3 LYS A 69 7.944 -6.042 7.109 1.00 51.53 H new ATOM 0 HG2 LYS A 69 6.483 -4.655 9.401 1.00 4.02 H new ATOM 0 HG3 LYS A 69 5.664 -5.204 7.952 1.00 4.02 H new ATOM 0 HD2 LYS A 69 7.228 -7.421 8.759 1.00 33.51 H new ATOM 0 HD3 LYS A 69 6.601 -6.763 10.257 1.00 33.51 H new ATOM 0 HE2 LYS A 69 4.289 -6.863 9.386 1.00 61.42 H new ATOM 0 HE3 LYS A 69 4.868 -7.387 7.817 1.00 61.42 H new ATOM 0 HZ1 LYS A 69 4.941 -9.469 8.526 1.00 34.02 H new ATOM 0 HZ2 LYS A 69 5.931 -9.059 9.843 1.00 34.02 H new ATOM 0 HZ3 LYS A 69 4.242 -8.976 9.992 1.00 34.02 H new ATOM 1011 N THR A 70 11.357 -4.499 8.821 1.00 14.12 N ATOM 1012 CA THR A 70 12.630 -4.031 8.300 1.00 72.41 C ATOM 1013 C THR A 70 13.736 -5.042 8.610 1.00 41.34 C ATOM 1014 O THR A 70 13.826 -5.546 9.728 1.00 72.22 O ATOM 1015 CB THR A 70 12.897 -2.641 8.880 1.00 35.22 C ATOM 1016 OG1 THR A 70 12.013 -1.788 8.158 1.00 34.12 O ATOM 1017 CG2 THR A 70 14.290 -2.117 8.528 1.00 23.23 C ATOM 0 H THR A 70 11.361 -4.728 9.815 1.00 14.12 H new ATOM 0 HA THR A 70 12.606 -3.945 7.214 1.00 72.41 H new ATOM 0 HB THR A 70 12.784 -2.673 9.964 1.00 35.22 H new ATOM 0 HG1 THR A 70 11.088 -1.979 8.419 1.00 34.12 H new ATOM 0 HG21 THR A 70 14.427 -1.128 8.964 1.00 23.23 H new ATOM 0 HG22 THR A 70 15.045 -2.796 8.924 1.00 23.23 H new ATOM 0 HG23 THR A 70 14.392 -2.053 7.445 1.00 23.23 H new ATOM 1025 N PHE A 71 14.551 -5.307 7.599 1.00 0.12 N ATOM 1026 CA PHE A 71 15.648 -6.248 7.749 1.00 11.05 C ATOM 1027 C PHE A 71 16.998 -5.549 7.576 1.00 12.24 C ATOM 1028 O PHE A 71 17.143 -4.674 6.724 1.00 11.32 O ATOM 1029 CB PHE A 71 15.488 -7.301 6.651 1.00 53.31 C ATOM 1030 CG PHE A 71 14.095 -7.931 6.591 1.00 14.32 C ATOM 1031 CD1 PHE A 71 13.023 -7.178 6.223 1.00 64.33 C ATOM 1032 CD2 PHE A 71 13.928 -9.243 6.907 1.00 72.14 C ATOM 1033 CE1 PHE A 71 11.730 -7.763 6.167 1.00 25.12 C ATOM 1034 CE2 PHE A 71 12.635 -9.828 6.851 1.00 10.31 C ATOM 1035 CZ PHE A 71 11.564 -9.075 6.483 1.00 74.54 C ATOM 0 H PHE A 71 14.473 -4.886 6.673 1.00 0.12 H new ATOM 0 HA PHE A 71 15.624 -6.691 8.744 1.00 11.05 H new ATOM 0 HB2 PHE A 71 15.710 -6.843 5.687 1.00 53.31 H new ATOM 0 HB3 PHE A 71 16.225 -8.089 6.807 1.00 53.31 H new ATOM 0 HD1 PHE A 71 13.155 -6.136 5.974 1.00 64.33 H new ATOM 0 HD2 PHE A 71 14.779 -9.840 7.201 1.00 72.14 H new ATOM 0 HE1 PHE A 71 10.879 -7.166 5.874 1.00 25.12 H new ATOM 0 HE2 PHE A 71 12.502 -10.870 7.101 1.00 10.31 H new ATOM 0 HZ PHE A 71 10.581 -9.520 6.442 1.00 74.54 H new ATOM 1045 N THR A 72 17.951 -5.961 8.399 1.00 64.14 N ATOM 1046 CA THR A 72 19.285 -5.385 8.347 1.00 35.31 C ATOM 1047 C THR A 72 20.343 -6.490 8.340 1.00 33.21 C ATOM 1048 O THR A 72 20.306 -7.395 9.172 1.00 73.51 O ATOM 1049 CB THR A 72 19.426 -4.416 9.522 1.00 3.40 C ATOM 1050 OG1 THR A 72 18.152 -3.784 9.606 1.00 11.34 O ATOM 1051 CG2 THR A 72 20.392 -3.268 9.221 1.00 41.23 C ATOM 0 H THR A 72 17.827 -6.686 9.105 1.00 64.14 H new ATOM 0 HA THR A 72 19.439 -4.825 7.424 1.00 35.31 H new ATOM 0 HB THR A 72 19.771 -4.960 10.401 1.00 3.40 H new ATOM 0 HG1 THR A 72 18.155 -3.140 10.344 1.00 11.34 H new ATOM 0 HG21 THR A 72 20.456 -2.610 10.087 1.00 41.23 H new ATOM 0 HG22 THR A 72 21.380 -3.672 8.999 1.00 41.23 H new ATOM 0 HG23 THR A 72 20.030 -2.703 8.362 1.00 41.23 H new ATOM 1059 N VAL A 73 21.261 -6.380 7.392 1.00 43.43 N ATOM 1060 CA VAL A 73 22.328 -7.358 7.265 1.00 21.03 C ATOM 1061 C VAL A 73 23.655 -6.715 7.674 1.00 71.11 C ATOM 1062 O VAL A 73 24.100 -5.752 7.051 1.00 32.04 O ATOM 1063 CB VAL A 73 22.351 -7.926 5.845 1.00 64.22 C ATOM 1064 CG1 VAL A 73 23.626 -7.509 5.109 1.00 62.54 C ATOM 1065 CG2 VAL A 73 22.200 -9.449 5.861 1.00 40.42 C ATOM 0 H VAL A 73 21.288 -5.628 6.704 1.00 43.43 H new ATOM 0 HA VAL A 73 22.155 -8.201 7.935 1.00 21.03 H new ATOM 0 HB VAL A 73 21.501 -7.511 5.304 1.00 64.22 H new ATOM 0 HG11 VAL A 73 23.618 -7.926 4.102 1.00 62.54 H new ATOM 0 HG12 VAL A 73 23.674 -6.422 5.051 1.00 62.54 H new ATOM 0 HG13 VAL A 73 24.496 -7.882 5.649 1.00 62.54 H new ATOM 0 HG21 VAL A 73 22.220 -9.827 4.839 1.00 40.42 H new ATOM 0 HG22 VAL A 73 23.021 -9.890 6.427 1.00 40.42 H new ATOM 0 HG23 VAL A 73 21.252 -9.716 6.329 1.00 40.42 H new ATOM 1075 N THR A 74 24.250 -7.274 8.718 1.00 52.24 N ATOM 1076 CA THR A 74 25.517 -6.767 9.217 1.00 51.03 C ATOM 1077 C THR A 74 26.645 -7.753 8.907 1.00 32.34 C ATOM 1078 O THR A 74 26.619 -8.895 9.365 1.00 2.44 O ATOM 1079 CB THR A 74 25.355 -6.478 10.710 1.00 1.13 C ATOM 1080 OG1 THR A 74 24.041 -5.937 10.819 1.00 61.30 O ATOM 1081 CG2 THR A 74 26.265 -5.345 11.189 1.00 11.24 C ATOM 0 H THR A 74 23.878 -8.073 9.232 1.00 52.24 H new ATOM 0 HA THR A 74 25.795 -5.838 8.720 1.00 51.03 H new ATOM 0 HB THR A 74 25.570 -7.382 11.280 1.00 1.13 H new ATOM 0 HG1 THR A 74 23.852 -5.723 11.756 1.00 61.30 H new ATOM 0 HG21 THR A 74 26.111 -5.180 12.255 1.00 11.24 H new ATOM 0 HG22 THR A 74 27.306 -5.614 11.010 1.00 11.24 H new ATOM 0 HG23 THR A 74 26.028 -4.432 10.643 1.00 11.24 H new ATOM 1089 N GLU A 75 27.608 -7.277 8.132 1.00 30.22 N ATOM 1090 CA GLU A 75 28.743 -8.103 7.756 1.00 10.12 C ATOM 1091 C GLU A 75 29.827 -8.038 8.834 1.00 33.23 C ATOM 1092 O GLU A 75 30.472 -7.006 9.010 1.00 14.41 O ATOM 1093 CB GLU A 75 29.299 -7.683 6.394 1.00 30.31 C ATOM 1094 CG GLU A 75 29.915 -8.877 5.662 1.00 24.00 C ATOM 1095 CD GLU A 75 31.334 -9.155 6.164 1.00 40.45 C ATOM 1096 OE1 GLU A 75 31.511 -9.610 7.303 1.00 34.03 O ATOM 1097 OE2 GLU A 75 32.273 -8.881 5.322 1.00 30.42 O ATOM 0 H GLU A 75 27.626 -6.330 7.754 1.00 30.22 H new ATOM 0 HA GLU A 75 28.404 -9.135 7.671 1.00 10.12 H new ATOM 0 HB2 GLU A 75 28.501 -7.253 5.789 1.00 30.31 H new ATOM 0 HB3 GLU A 75 30.052 -6.906 6.528 1.00 30.31 H new ATOM 0 HG2 GLU A 75 29.293 -9.760 5.811 1.00 24.00 H new ATOM 0 HG3 GLU A 75 29.937 -8.679 4.590 1.00 24.00 H new TER 1105 GLU A 75 HETATM 1106 LA LA A 76 -0.704 -4.009 -13.163 1.00 22.32 LA