USER MOD reduce.3.24.130724 H: found=0, std=0, add=377, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 377 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 Single : A 1 ALA N :NH3+ -113:sc= 0.043 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -144:sc= -3.46! (180deg=-6.7!) USER MOD Single : A 12 ASN : amide:sc= -0.171 K(o=-0.17,f=-1.2!) USER MOD Single : A 13 SER OG : rot -157:sc= -2.85! USER MOD Single : A 15 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.2!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 92:sc= 1.07 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 148:sc= -0.121 (180deg=-0.841) USER MOD Single : A 36 THR OG1 : rot 71:sc= 0.899 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -178:sc= -1.95 (180deg=-2.11) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 70:sc= 0.11 USER MOD Single : A 48 LYS NZ :NH3+ 154:sc= -0.555 (180deg=-2.09!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.388 -31.218 -19.593 1.00 0.00 N ATOM 2 CA ALA A 1 -18.727 -30.110 -20.344 1.00 0.00 C ATOM 3 C ALA A 1 -17.429 -29.708 -19.657 1.00 0.00 C ATOM 4 O ALA A 1 -17.284 -29.861 -18.443 1.00 0.00 O ATOM 5 CB ALA A 1 -19.647 -28.897 -20.448 1.00 0.00 C ATOM 0 H1 ALA A 1 -19.377 -32.083 -20.170 1.00 0.00 H new ATOM 0 H2 ALA A 1 -18.876 -31.388 -18.704 1.00 0.00 H new ATOM 0 H3 ALA A 1 -20.372 -30.955 -19.381 1.00 0.00 H new ATOM 0 HA ALA A 1 -18.508 -30.469 -21.349 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -19.142 -28.104 -20.999 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -20.561 -29.178 -20.971 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -19.896 -28.542 -19.448 1.00 0.00 H new ATOM 13 N GLU A 2 -16.486 -29.194 -20.440 1.00 0.00 N ATOM 14 CA GLU A 2 -15.195 -28.768 -19.910 1.00 0.00 C ATOM 15 C GLU A 2 -14.755 -27.466 -20.567 1.00 0.00 C ATOM 16 O GLU A 2 -14.123 -27.476 -21.623 1.00 0.00 O ATOM 17 CB GLU A 2 -14.149 -29.854 -20.157 1.00 0.00 C ATOM 18 CG GLU A 2 -14.070 -30.218 -21.637 1.00 0.00 C ATOM 19 CD GLU A 2 -12.649 -30.029 -22.154 1.00 0.00 C ATOM 20 OE1 GLU A 2 -11.936 -29.150 -21.627 1.00 0.00 O ATOM 21 OE2 GLU A 2 -12.252 -30.761 -23.085 1.00 0.00 O ATOM 0 H GLU A 2 -16.592 -29.062 -21.446 1.00 0.00 H new ATOM 0 HA GLU A 2 -15.294 -28.602 -18.837 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.174 -29.509 -19.812 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -14.397 -30.741 -19.574 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.382 -31.252 -21.781 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -14.758 -29.595 -22.209 1.00 0.00 H new ATOM 28 N GLY A 3 -15.103 -26.345 -19.937 1.00 0.00 N ATOM 29 CA GLY A 3 -14.764 -25.023 -20.446 1.00 0.00 C ATOM 30 C GLY A 3 -13.358 -24.986 -21.038 1.00 0.00 C ATOM 31 O GLY A 3 -12.530 -25.854 -20.757 1.00 0.00 O ATOM 0 H GLY A 3 -15.627 -26.331 -19.062 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -15.487 -24.731 -21.208 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -14.838 -24.293 -19.640 1.00 0.00 H new ATOM 35 N ASP A 4 -13.101 -23.976 -21.860 1.00 0.00 N ATOM 36 CA ASP A 4 -11.802 -23.812 -22.503 1.00 0.00 C ATOM 37 C ASP A 4 -11.295 -22.391 -22.310 1.00 0.00 C ATOM 38 O ASP A 4 -11.394 -21.566 -23.218 1.00 0.00 O ATOM 39 CB ASP A 4 -11.928 -24.106 -23.995 1.00 0.00 C ATOM 40 CG ASP A 4 -11.205 -25.400 -24.343 1.00 0.00 C ATOM 41 OD1 ASP A 4 -10.959 -26.211 -23.425 1.00 0.00 O ATOM 42 OD2 ASP A 4 -10.885 -25.603 -25.534 1.00 0.00 O ATOM 0 H ASP A 4 -13.780 -23.253 -22.099 1.00 0.00 H new ATOM 0 HA ASP A 4 -11.095 -24.507 -22.050 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -12.980 -24.184 -24.269 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -11.509 -23.281 -24.571 1.00 0.00 H new ATOM 47 N ASP A 5 -10.756 -22.094 -21.130 1.00 0.00 N ATOM 48 CA ASP A 5 -10.254 -20.759 -20.867 1.00 0.00 C ATOM 49 C ASP A 5 -8.766 -20.763 -20.548 1.00 0.00 C ATOM 50 O ASP A 5 -8.328 -20.121 -19.593 1.00 0.00 O ATOM 51 CB ASP A 5 -11.020 -20.126 -19.717 1.00 0.00 C ATOM 52 CG ASP A 5 -11.353 -18.674 -20.032 1.00 0.00 C ATOM 53 OD1 ASP A 5 -11.439 -18.327 -21.230 1.00 0.00 O ATOM 54 OD2 ASP A 5 -11.528 -17.883 -19.081 1.00 0.00 O ATOM 0 H ASP A 5 -10.659 -22.751 -20.356 1.00 0.00 H new ATOM 0 HA ASP A 5 -10.402 -20.173 -21.774 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -11.938 -20.684 -19.533 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.427 -20.179 -18.804 1.00 0.00 H new ATOM 59 N PRO A 6 -7.961 -21.445 -21.371 1.00 0.00 N ATOM 60 CA PRO A 6 -6.505 -21.479 -21.196 1.00 0.00 C ATOM 61 C PRO A 6 -5.905 -20.124 -21.550 1.00 0.00 C ATOM 62 O PRO A 6 -4.771 -19.811 -21.185 1.00 0.00 O ATOM 63 CB PRO A 6 -6.042 -22.549 -22.176 1.00 0.00 C ATOM 64 CG PRO A 6 -7.107 -22.594 -23.220 1.00 0.00 C ATOM 65 CD PRO A 6 -8.391 -22.230 -22.533 1.00 0.00 C ATOM 0 HA PRO A 6 -6.202 -21.695 -20.172 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -5.074 -22.297 -22.609 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -5.929 -23.515 -21.683 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -6.888 -21.896 -24.028 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -7.173 -23.587 -23.665 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.043 -21.651 -23.187 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -8.948 -23.117 -22.232 1.00 0.00 H new ATOM 73 N ALA A 7 -6.693 -19.323 -22.270 1.00 0.00 N ATOM 74 CA ALA A 7 -6.286 -17.994 -22.693 1.00 0.00 C ATOM 75 C ALA A 7 -6.144 -17.072 -21.484 1.00 0.00 C ATOM 76 O ALA A 7 -5.148 -16.361 -21.351 1.00 0.00 O ATOM 77 CB ALA A 7 -7.327 -17.447 -23.667 1.00 0.00 C ATOM 0 H ALA A 7 -7.631 -19.584 -22.573 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.317 -18.047 -23.189 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -7.032 -16.449 -23.992 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.396 -18.105 -24.533 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -8.297 -17.396 -23.172 1.00 0.00 H new ATOM 83 N LYS A 8 -7.143 -17.087 -20.602 1.00 0.00 N ATOM 84 CA LYS A 8 -7.129 -16.253 -19.405 1.00 0.00 C ATOM 85 C LYS A 8 -6.556 -17.032 -18.224 1.00 0.00 C ATOM 86 O LYS A 8 -6.905 -16.773 -17.072 1.00 0.00 O ATOM 87 CB LYS A 8 -8.554 -15.815 -19.067 1.00 0.00 C ATOM 88 CG LYS A 8 -9.463 -15.627 -20.304 1.00 0.00 C ATOM 89 CD LYS A 8 -8.754 -15.061 -21.555 1.00 0.00 C ATOM 90 CE LYS A 8 -7.684 -13.999 -21.256 1.00 0.00 C ATOM 91 NZ LYS A 8 -7.930 -13.269 -19.975 1.00 0.00 N ATOM 0 H LYS A 8 -7.974 -17.671 -20.696 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.507 -15.379 -19.597 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -9.004 -16.556 -18.407 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.513 -14.877 -18.513 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -9.906 -16.589 -20.560 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -10.282 -14.960 -20.036 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.289 -15.884 -22.097 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -9.504 -14.627 -22.217 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.706 -14.478 -21.213 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.652 -13.282 -22.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.644 -12.275 -20.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -8.942 -13.314 -19.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.376 -13.709 -19.213 1.00 0.00 H new ATOM 105 N ALA A 9 -5.678 -17.984 -18.514 1.00 0.00 N ATOM 106 CA ALA A 9 -5.055 -18.805 -17.477 1.00 0.00 C ATOM 107 C ALA A 9 -4.496 -17.929 -16.361 1.00 0.00 C ATOM 108 O ALA A 9 -5.064 -17.859 -15.271 1.00 0.00 O ATOM 109 CB ALA A 9 -3.936 -19.646 -18.084 1.00 0.00 C ATOM 0 H ALA A 9 -5.379 -18.209 -19.463 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.814 -19.464 -17.054 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.476 -20.255 -17.306 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.347 -20.295 -18.858 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.184 -18.990 -18.523 1.00 0.00 H new ATOM 115 N ALA A 10 -3.374 -17.267 -16.636 1.00 0.00 N ATOM 116 CA ALA A 10 -2.728 -16.397 -15.654 1.00 0.00 C ATOM 117 C ALA A 10 -3.747 -15.477 -14.991 1.00 0.00 C ATOM 118 O ALA A 10 -3.809 -15.388 -13.765 1.00 0.00 O ATOM 119 CB ALA A 10 -1.641 -15.565 -16.329 1.00 0.00 C ATOM 0 H ALA A 10 -2.892 -17.316 -17.533 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.277 -17.024 -14.885 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.165 -14.920 -15.590 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.894 -16.228 -16.767 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.086 -14.952 -17.113 1.00 0.00 H new ATOM 125 N PHE A 11 -4.545 -14.789 -15.805 1.00 0.00 N ATOM 126 CA PHE A 11 -5.558 -13.874 -15.283 1.00 0.00 C ATOM 127 C PHE A 11 -6.419 -14.583 -14.244 1.00 0.00 C ATOM 128 O PHE A 11 -6.683 -14.043 -13.170 1.00 0.00 O ATOM 129 CB PHE A 11 -6.431 -13.346 -16.423 1.00 0.00 C ATOM 130 CG PHE A 11 -7.363 -12.224 -15.987 1.00 0.00 C ATOM 131 CD1 PHE A 11 -6.927 -11.299 -15.049 1.00 0.00 C ATOM 132 CD2 PHE A 11 -8.650 -12.106 -16.519 1.00 0.00 C ATOM 133 CE1 PHE A 11 -7.759 -10.269 -14.644 1.00 0.00 C ATOM 134 CE2 PHE A 11 -9.477 -11.073 -16.107 1.00 0.00 C ATOM 135 CZ PHE A 11 -9.032 -10.157 -15.172 1.00 0.00 C ATOM 0 H PHE A 11 -4.511 -14.847 -16.823 1.00 0.00 H new ATOM 0 HA PHE A 11 -5.058 -13.030 -14.807 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.790 -12.986 -17.228 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -7.023 -14.166 -16.829 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -5.934 -11.383 -14.633 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -9.000 -12.819 -17.251 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -7.413 -9.552 -13.914 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.472 -10.983 -16.518 1.00 0.00 H new ATOM 0 HZ PHE A 11 -9.679 -9.353 -14.854 1.00 0.00 H new ATOM 145 N ASN A 12 -6.849 -15.801 -14.567 1.00 0.00 N ATOM 146 CA ASN A 12 -7.674 -16.590 -13.657 1.00 0.00 C ATOM 147 C ASN A 12 -6.852 -17.039 -12.452 1.00 0.00 C ATOM 148 O ASN A 12 -7.349 -17.070 -11.326 1.00 0.00 O ATOM 149 CB ASN A 12 -8.237 -17.807 -14.386 1.00 0.00 C ATOM 150 CG ASN A 12 -9.623 -18.150 -13.855 1.00 0.00 C ATOM 151 OD1 ASN A 12 -10.430 -17.263 -13.578 1.00 0.00 O ATOM 152 ND2 ASN A 12 -9.900 -19.442 -13.715 1.00 0.00 N ATOM 0 H ASN A 12 -6.639 -16.262 -15.452 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.500 -15.971 -13.307 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -8.290 -17.606 -15.456 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -7.569 -18.659 -14.255 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -10.813 -19.733 -13.365 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.200 -20.143 -13.957 1.00 0.00 H new ATOM 159 N SER A 13 -5.593 -17.387 -12.698 1.00 0.00 N ATOM 160 CA SER A 13 -4.693 -17.838 -11.643 1.00 0.00 C ATOM 161 C SER A 13 -4.646 -16.826 -10.505 1.00 0.00 C ATOM 162 O SER A 13 -4.466 -17.194 -9.345 1.00 0.00 O ATOM 163 CB SER A 13 -3.297 -18.040 -12.215 1.00 0.00 C ATOM 164 OG SER A 13 -3.375 -18.355 -13.598 1.00 0.00 O ATOM 0 H SER A 13 -5.171 -17.365 -13.626 1.00 0.00 H new ATOM 0 HA SER A 13 -5.065 -18.783 -11.247 1.00 0.00 H new ATOM 0 HB2 SER A 13 -2.704 -17.137 -12.073 1.00 0.00 H new ATOM 0 HB3 SER A 13 -2.789 -18.842 -11.680 1.00 0.00 H new ATOM 0 HG SER A 13 -2.562 -18.828 -13.872 1.00 0.00 H new ATOM 170 N LEU A 14 -4.802 -15.549 -10.841 1.00 0.00 N ATOM 171 CA LEU A 14 -4.769 -14.486 -9.838 1.00 0.00 C ATOM 172 C LEU A 14 -5.708 -14.809 -8.683 1.00 0.00 C ATOM 173 O LEU A 14 -5.518 -14.333 -7.565 1.00 0.00 O ATOM 174 CB LEU A 14 -5.155 -13.151 -10.469 1.00 0.00 C ATOM 175 CG LEU A 14 -5.094 -12.018 -9.444 1.00 0.00 C ATOM 176 CD1 LEU A 14 -3.698 -11.903 -8.830 1.00 0.00 C ATOM 177 CD2 LEU A 14 -5.514 -10.682 -10.062 1.00 0.00 C ATOM 0 H LEU A 14 -4.952 -15.224 -11.796 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.753 -14.413 -9.449 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.484 -12.931 -11.299 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.162 -13.218 -10.882 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.800 -12.262 -8.650 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.685 -11.089 -8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.442 -12.838 -8.331 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.970 -11.700 -9.616 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.459 -9.898 -9.306 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.846 -10.437 -10.888 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.536 -10.758 -10.433 1.00 0.00 H new ATOM 189 N GLN A 15 -6.719 -15.623 -8.957 1.00 0.00 N ATOM 190 CA GLN A 15 -7.687 -16.016 -7.940 1.00 0.00 C ATOM 191 C GLN A 15 -6.992 -16.762 -6.806 1.00 0.00 C ATOM 192 O GLN A 15 -7.469 -16.772 -5.671 1.00 0.00 O ATOM 193 CB GLN A 15 -8.760 -16.902 -8.563 1.00 0.00 C ATOM 194 CG GLN A 15 -9.821 -17.294 -7.538 1.00 0.00 C ATOM 195 CD GLN A 15 -10.022 -18.808 -7.545 1.00 0.00 C ATOM 196 OE1 GLN A 15 -9.115 -19.559 -7.901 1.00 0.00 O ATOM 197 NE2 GLN A 15 -11.210 -19.256 -7.149 1.00 0.00 N ATOM 0 H GLN A 15 -6.891 -16.026 -9.878 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.153 -15.118 -7.534 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.231 -16.377 -9.394 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.299 -17.800 -8.974 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.518 -16.964 -6.544 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.762 -16.793 -7.767 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.934 -18.597 -6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.397 -20.259 -7.132 1.00 0.00 H new ATOM 206 N ALA A 16 -5.860 -17.387 -7.121 1.00 0.00 N ATOM 207 CA ALA A 16 -5.097 -18.138 -6.130 1.00 0.00 C ATOM 208 C ALA A 16 -4.589 -17.211 -5.033 1.00 0.00 C ATOM 209 O ALA A 16 -4.345 -17.642 -3.907 1.00 0.00 O ATOM 210 CB ALA A 16 -3.919 -18.839 -6.802 1.00 0.00 C ATOM 0 H ALA A 16 -5.451 -17.388 -8.056 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.752 -18.885 -5.681 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.354 -19.398 -6.056 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -4.290 -19.524 -7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -3.271 -18.096 -7.267 1.00 0.00 H new ATOM 216 N SER A 17 -4.431 -15.935 -5.370 1.00 0.00 N ATOM 217 CA SER A 17 -3.951 -14.944 -4.413 1.00 0.00 C ATOM 218 C SER A 17 -5.000 -14.688 -3.339 1.00 0.00 C ATOM 219 O SER A 17 -4.679 -14.587 -2.155 1.00 0.00 O ATOM 220 CB SER A 17 -3.623 -13.642 -5.134 1.00 0.00 C ATOM 221 OG SER A 17 -2.703 -12.874 -4.371 1.00 0.00 O ATOM 0 H SER A 17 -4.628 -15.563 -6.299 1.00 0.00 H new ATOM 0 HA SER A 17 -3.049 -15.329 -3.937 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.201 -13.858 -6.115 1.00 0.00 H new ATOM 0 HB3 SER A 17 -4.536 -13.070 -5.299 1.00 0.00 H new ATOM 0 HG SER A 17 -2.499 -12.041 -4.846 1.00 0.00 H new ATOM 227 N ALA A 18 -6.257 -14.582 -3.758 1.00 0.00 N ATOM 228 CA ALA A 18 -7.357 -14.333 -2.833 1.00 0.00 C ATOM 229 C ALA A 18 -7.751 -15.614 -2.111 1.00 0.00 C ATOM 230 O ALA A 18 -7.923 -15.622 -0.892 1.00 0.00 O ATOM 231 CB ALA A 18 -8.557 -13.774 -3.593 1.00 0.00 C ATOM 0 H ALA A 18 -6.540 -14.665 -4.735 1.00 0.00 H new ATOM 0 HA ALA A 18 -7.029 -13.605 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -9.375 -13.590 -2.897 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -8.277 -12.839 -4.079 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.877 -14.493 -4.347 1.00 0.00 H new ATOM 237 N THR A 19 -7.896 -16.697 -2.868 1.00 0.00 N ATOM 238 CA THR A 19 -8.276 -17.987 -2.297 1.00 0.00 C ATOM 239 C THR A 19 -7.390 -18.331 -1.103 1.00 0.00 C ATOM 240 O THR A 19 -7.811 -19.043 -0.191 1.00 0.00 O ATOM 241 CB THR A 19 -8.162 -19.078 -3.354 1.00 0.00 C ATOM 242 OG1 THR A 19 -8.666 -18.607 -4.595 1.00 0.00 O ATOM 243 CG2 THR A 19 -8.919 -20.331 -2.922 1.00 0.00 C ATOM 0 H THR A 19 -7.756 -16.708 -3.878 1.00 0.00 H new ATOM 0 HA THR A 19 -9.309 -17.921 -1.956 1.00 0.00 H new ATOM 0 HB THR A 19 -7.109 -19.336 -3.471 1.00 0.00 H new ATOM 0 HG1 THR A 19 -7.935 -18.218 -5.119 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.824 -21.097 -3.692 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.502 -20.703 -1.986 1.00 0.00 H new ATOM 0 HG23 THR A 19 -9.972 -20.089 -2.779 1.00 0.00 H new ATOM 251 N GLU A 20 -6.161 -17.825 -1.119 1.00 0.00 N ATOM 252 CA GLU A 20 -5.210 -18.078 -0.048 1.00 0.00 C ATOM 253 C GLU A 20 -5.787 -17.666 1.304 1.00 0.00 C ATOM 254 O GLU A 20 -5.379 -18.183 2.344 1.00 0.00 O ATOM 255 CB GLU A 20 -3.925 -17.303 -0.325 1.00 0.00 C ATOM 256 CG GLU A 20 -2.870 -18.188 -0.987 1.00 0.00 C ATOM 257 CD GLU A 20 -1.606 -17.384 -1.261 1.00 0.00 C ATOM 258 OE1 GLU A 20 -1.526 -16.224 -0.805 1.00 0.00 O ATOM 259 OE2 GLU A 20 -0.696 -17.916 -1.931 1.00 0.00 O ATOM 0 H GLU A 20 -5.801 -17.234 -1.868 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.997 -19.146 -0.012 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.144 -16.452 -0.969 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.532 -16.903 0.609 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.638 -19.035 -0.341 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.260 -18.596 -1.920 1.00 0.00 H new ATOM 266 N TYR A 21 -6.735 -16.735 1.285 1.00 0.00 N ATOM 267 CA TYR A 21 -7.362 -16.258 2.515 1.00 0.00 C ATOM 268 C TYR A 21 -8.618 -17.066 2.825 1.00 0.00 C ATOM 269 O TYR A 21 -8.846 -17.459 3.968 1.00 0.00 O ATOM 270 CB TYR A 21 -7.713 -14.780 2.380 1.00 0.00 C ATOM 271 CG TYR A 21 -6.569 -13.871 2.761 1.00 0.00 C ATOM 272 CD1 TYR A 21 -5.652 -13.468 1.804 1.00 0.00 C ATOM 273 CD2 TYR A 21 -6.434 -13.439 4.070 1.00 0.00 C ATOM 274 CE1 TYR A 21 -4.603 -12.634 2.157 1.00 0.00 C ATOM 275 CE2 TYR A 21 -5.385 -12.604 4.420 1.00 0.00 C ATOM 276 CZ TYR A 21 -4.474 -12.206 3.463 1.00 0.00 C ATOM 277 OH TYR A 21 -3.434 -11.377 3.814 1.00 0.00 O ATOM 0 H TYR A 21 -7.086 -16.296 0.434 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.657 -16.385 3.336 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -8.008 -14.574 1.351 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -8.574 -14.557 3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -5.755 -13.804 0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.147 -13.753 4.818 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.888 -12.319 1.412 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -5.281 -12.265 5.440 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.490 -11.169 4.770 1.00 0.00 H new ATOM 287 N ILE A 22 -9.430 -17.312 1.801 1.00 0.00 N ATOM 288 CA ILE A 22 -10.656 -18.069 1.956 1.00 0.00 C ATOM 289 C ILE A 22 -10.338 -19.537 2.248 1.00 0.00 C ATOM 290 O ILE A 22 -11.155 -20.254 2.826 1.00 0.00 O ATOM 291 CB ILE A 22 -11.476 -17.943 0.667 1.00 0.00 C ATOM 292 CG1 ILE A 22 -11.945 -16.496 0.448 1.00 0.00 C ATOM 293 CG2 ILE A 22 -12.664 -18.892 0.670 1.00 0.00 C ATOM 294 CD1 ILE A 22 -12.705 -16.353 -0.881 1.00 0.00 C ATOM 0 H ILE A 22 -9.253 -16.992 0.849 1.00 0.00 H new ATOM 0 HA ILE A 22 -11.231 -17.676 2.795 1.00 0.00 H new ATOM 0 HB ILE A 22 -10.824 -18.221 -0.161 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -12.589 -16.191 1.273 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -11.084 -15.827 0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.224 -18.777 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -12.309 -19.919 0.755 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -13.312 -18.661 1.516 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -13.024 -15.319 -1.008 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.051 -16.635 -1.706 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -13.579 -17.004 -0.872 1.00 0.00 H new ATOM 306 N GLY A 23 -9.149 -19.976 1.843 1.00 0.00 N ATOM 307 CA GLY A 23 -8.723 -21.353 2.059 1.00 0.00 C ATOM 308 C GLY A 23 -7.308 -21.394 2.613 1.00 0.00 C ATOM 309 O GLY A 23 -6.359 -21.723 1.901 1.00 0.00 O ATOM 0 H GLY A 23 -8.463 -19.395 1.362 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -9.405 -21.846 2.752 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -8.768 -21.905 1.120 1.00 0.00 H new ATOM 313 N TYR A 24 -7.172 -21.051 3.888 1.00 0.00 N ATOM 314 CA TYR A 24 -5.869 -21.040 4.547 1.00 0.00 C ATOM 315 C TYR A 24 -5.553 -22.396 5.171 1.00 0.00 C ATOM 316 O TYR A 24 -5.017 -22.467 6.277 1.00 0.00 O ATOM 317 CB TYR A 24 -5.820 -19.947 5.615 1.00 0.00 C ATOM 318 CG TYR A 24 -7.106 -19.797 6.390 1.00 0.00 C ATOM 319 CD1 TYR A 24 -7.808 -20.917 6.791 1.00 0.00 C ATOM 320 CD2 TYR A 24 -7.579 -18.537 6.704 1.00 0.00 C ATOM 321 CE1 TYR A 24 -8.986 -20.778 7.507 1.00 0.00 C ATOM 322 CE2 TYR A 24 -8.756 -18.397 7.418 1.00 0.00 C ATOM 323 CZ TYR A 24 -9.454 -19.518 7.816 1.00 0.00 C ATOM 324 OH TYR A 24 -10.625 -19.378 8.527 1.00 0.00 O ATOM 0 H TYR A 24 -7.949 -20.776 4.489 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.114 -20.830 3.789 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -5.011 -20.168 6.311 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -5.580 -18.996 5.138 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -7.438 -21.902 6.546 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -7.030 -17.661 6.392 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -9.536 -21.653 7.822 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -9.127 -17.413 7.663 1.00 0.00 H new ATOM 0 HH TYR A 24 -10.814 -18.426 8.662 1.00 0.00 H new ATOM 334 N ALA A 25 -5.880 -23.474 4.460 1.00 0.00 N ATOM 335 CA ALA A 25 -5.617 -24.821 4.959 1.00 0.00 C ATOM 336 C ALA A 25 -4.124 -25.001 5.201 1.00 0.00 C ATOM 337 O ALA A 25 -3.714 -25.677 6.143 1.00 0.00 O ATOM 338 CB ALA A 25 -6.113 -25.863 3.954 1.00 0.00 C ATOM 0 H ALA A 25 -6.325 -23.441 3.543 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.150 -24.959 5.900 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.911 -26.863 4.337 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.186 -25.742 3.804 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.596 -25.727 3.004 1.00 0.00 H new ATOM 344 N TRP A 26 -3.316 -24.382 4.347 1.00 0.00 N ATOM 345 CA TRP A 26 -1.868 -24.462 4.470 1.00 0.00 C ATOM 346 C TRP A 26 -1.421 -23.760 5.744 1.00 0.00 C ATOM 347 O TRP A 26 -0.557 -24.253 6.469 1.00 0.00 O ATOM 348 CB TRP A 26 -1.202 -23.815 3.258 1.00 0.00 C ATOM 349 CG TRP A 26 -0.591 -24.819 2.329 1.00 0.00 C ATOM 350 CD1 TRP A 26 -0.929 -25.037 1.022 1.00 0.00 C ATOM 351 CD2 TRP A 26 0.469 -25.750 2.634 1.00 0.00 C ATOM 352 NE1 TRP A 26 -0.140 -26.035 0.523 1.00 0.00 N ATOM 353 CE2 TRP A 26 0.722 -26.491 1.472 1.00 0.00 C ATOM 354 CE3 TRP A 26 1.228 -26.024 3.773 1.00 0.00 C ATOM 355 CZ2 TRP A 26 1.691 -27.479 1.425 1.00 0.00 C ATOM 356 CZ3 TRP A 26 2.202 -27.013 3.733 1.00 0.00 C ATOM 357 CH2 TRP A 26 2.432 -27.734 2.568 1.00 0.00 C ATOM 0 H TRP A 26 -3.642 -23.819 3.561 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.573 -25.510 4.516 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -1.940 -23.226 2.714 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -0.430 -23.124 3.598 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.694 -24.507 0.474 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -0.190 -26.390 -0.432 1.00 0.00 H new ATOM 0 HE3 TRP A 26 1.058 -25.468 4.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 1.865 -28.038 0.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.787 -27.224 4.616 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.194 -28.499 2.553 1.00 0.00 H new ATOM 368 N ALA A 27 -2.025 -22.606 6.016 1.00 0.00 N ATOM 369 CA ALA A 27 -1.702 -21.831 7.209 1.00 0.00 C ATOM 370 C ALA A 27 -2.067 -22.621 8.457 1.00 0.00 C ATOM 371 O ALA A 27 -1.344 -22.592 9.453 1.00 0.00 O ATOM 372 CB ALA A 27 -2.460 -20.508 7.191 1.00 0.00 C ATOM 0 H ALA A 27 -2.742 -22.187 5.424 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.631 -21.627 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.213 -19.935 8.085 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.177 -19.939 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.532 -20.703 7.169 1.00 0.00 H new ATOM 378 N MET A 28 -3.187 -23.335 8.397 1.00 0.00 N ATOM 379 CA MET A 28 -3.635 -24.138 9.519 1.00 0.00 C ATOM 380 C MET A 28 -2.620 -25.241 9.772 1.00 0.00 C ATOM 381 O MET A 28 -2.337 -25.594 10.916 1.00 0.00 O ATOM 382 CB MET A 28 -5.008 -24.735 9.200 1.00 0.00 C ATOM 383 CG MET A 28 -5.650 -25.437 10.399 1.00 0.00 C ATOM 384 SD MET A 28 -5.471 -24.535 11.950 1.00 0.00 S ATOM 385 CE MET A 28 -5.502 -25.890 13.133 1.00 0.00 C ATOM 0 H MET A 28 -3.798 -23.371 7.581 1.00 0.00 H new ATOM 0 HA MET A 28 -3.722 -23.521 10.414 1.00 0.00 H new ATOM 0 HB2 MET A 28 -5.671 -23.942 8.853 1.00 0.00 H new ATOM 0 HB3 MET A 28 -4.907 -25.447 8.381 1.00 0.00 H new ATOM 0 HG2 MET A 28 -6.711 -25.586 10.196 1.00 0.00 H new ATOM 0 HG3 MET A 28 -5.205 -26.426 10.511 1.00 0.00 H new ATOM 0 HE1 MET A 28 -4.876 -25.640 13.989 1.00 0.00 H new ATOM 0 HE2 MET A 28 -6.526 -26.057 13.468 1.00 0.00 H new ATOM 0 HE3 MET A 28 -5.123 -26.796 12.659 1.00 0.00 H new ATOM 395 N VAL A 29 -2.058 -25.767 8.686 1.00 0.00 N ATOM 396 CA VAL A 29 -1.051 -26.815 8.773 1.00 0.00 C ATOM 397 C VAL A 29 0.176 -26.264 9.479 1.00 0.00 C ATOM 398 O VAL A 29 0.725 -26.890 10.385 1.00 0.00 O ATOM 399 CB VAL A 29 -0.682 -27.302 7.374 1.00 0.00 C ATOM 400 CG1 VAL A 29 0.443 -28.332 7.438 1.00 0.00 C ATOM 401 CG2 VAL A 29 -1.904 -27.888 6.673 1.00 0.00 C ATOM 0 H VAL A 29 -2.286 -25.482 7.734 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.447 -27.659 9.338 1.00 0.00 H new ATOM 0 HB VAL A 29 -0.329 -26.447 6.797 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.689 -28.665 6.430 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.323 -27.881 7.897 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.121 -29.186 8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.623 -28.230 5.677 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.287 -28.729 7.251 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.677 -27.124 6.589 1.00 0.00 H new ATOM 411 N VAL A 30 0.584 -25.068 9.068 1.00 0.00 N ATOM 412 CA VAL A 30 1.728 -24.397 9.666 1.00 0.00 C ATOM 413 C VAL A 30 1.454 -24.177 11.145 1.00 0.00 C ATOM 414 O VAL A 30 2.322 -24.390 11.991 1.00 0.00 O ATOM 415 CB VAL A 30 1.968 -23.068 8.953 1.00 0.00 C ATOM 416 CG1 VAL A 30 3.025 -22.235 9.670 1.00 0.00 C ATOM 417 CG2 VAL A 30 2.375 -23.309 7.503 1.00 0.00 C ATOM 0 H VAL A 30 0.135 -24.542 8.318 1.00 0.00 H new ATOM 0 HA VAL A 30 2.623 -25.010 9.561 1.00 0.00 H new ATOM 0 HB VAL A 30 1.034 -22.507 8.969 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.172 -21.296 9.137 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.695 -22.027 10.688 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.965 -22.786 9.699 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.542 -22.352 7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 30 3.292 -23.897 7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.582 -23.850 6.987 1.00 0.00 H new ATOM 427 N VAL A 31 0.224 -23.774 11.447 1.00 0.00 N ATOM 428 CA VAL A 31 -0.194 -23.551 12.823 1.00 0.00 C ATOM 429 C VAL A 31 0.011 -24.842 13.614 1.00 0.00 C ATOM 430 O VAL A 31 0.636 -24.848 14.674 1.00 0.00 O ATOM 431 CB VAL A 31 -1.664 -23.078 12.832 1.00 0.00 C ATOM 432 CG1 VAL A 31 -2.584 -24.021 13.606 1.00 0.00 C ATOM 433 CG2 VAL A 31 -1.758 -21.666 13.406 1.00 0.00 C ATOM 0 H VAL A 31 -0.502 -23.595 10.753 1.00 0.00 H new ATOM 0 HA VAL A 31 0.403 -22.772 13.298 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.004 -23.079 11.797 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.604 -23.638 13.578 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -2.556 -25.011 13.151 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.249 -24.087 14.641 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.799 -21.342 13.408 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.375 -21.662 14.427 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -1.167 -20.984 12.794 1.00 0.00 H new ATOM 443 N ILE A 32 -0.520 -25.932 13.073 1.00 0.00 N ATOM 444 CA ILE A 32 -0.405 -27.243 13.697 1.00 0.00 C ATOM 445 C ILE A 32 1.059 -27.526 14.028 1.00 0.00 C ATOM 446 O ILE A 32 1.387 -27.917 15.149 1.00 0.00 O ATOM 447 CB ILE A 32 -0.972 -28.302 12.744 1.00 0.00 C ATOM 448 CG1 ILE A 32 -2.498 -28.242 12.729 1.00 0.00 C ATOM 449 CG2 ILE A 32 -0.510 -29.713 13.117 1.00 0.00 C ATOM 450 CD1 ILE A 32 -3.080 -29.260 11.752 1.00 0.00 C ATOM 0 H ILE A 32 -1.039 -25.932 12.195 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.974 -27.270 14.627 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.590 -28.079 11.748 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -2.882 -28.434 13.731 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -2.823 -27.239 12.450 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.935 -30.432 12.416 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.578 -29.763 13.073 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.844 -29.950 14.127 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -4.168 -29.194 11.763 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -2.714 -29.050 10.747 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -2.774 -30.264 12.047 1.00 0.00 H new ATOM 462 N VAL A 33 1.936 -27.323 13.047 1.00 0.00 N ATOM 463 CA VAL A 33 3.356 -27.551 13.233 1.00 0.00 C ATOM 464 C VAL A 33 3.851 -26.805 14.465 1.00 0.00 C ATOM 465 O VAL A 33 4.510 -27.381 15.329 1.00 0.00 O ATOM 466 CB VAL A 33 4.112 -27.089 11.995 1.00 0.00 C ATOM 467 CG1 VAL A 33 5.608 -27.292 12.179 1.00 0.00 C ATOM 468 CG2 VAL A 33 3.619 -27.837 10.760 1.00 0.00 C ATOM 0 H VAL A 33 1.681 -27.000 12.114 1.00 0.00 H new ATOM 0 HA VAL A 33 3.533 -28.616 13.382 1.00 0.00 H new ATOM 0 HB VAL A 33 3.924 -26.025 11.852 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.133 -26.957 11.285 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.950 -26.716 13.039 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.814 -28.349 12.346 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.170 -27.495 9.884 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.779 -28.907 10.894 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.556 -27.644 10.618 1.00 0.00 H new ATOM 478 N GLY A 34 3.516 -25.520 14.543 1.00 0.00 N ATOM 479 CA GLY A 34 3.915 -24.694 15.676 1.00 0.00 C ATOM 480 C GLY A 34 3.304 -25.234 16.960 1.00 0.00 C ATOM 481 O GLY A 34 3.923 -25.190 18.024 1.00 0.00 O ATOM 0 H GLY A 34 2.970 -25.029 13.835 1.00 0.00 H new ATOM 0 HA2 GLY A 34 5.002 -24.679 15.760 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.593 -23.665 15.516 1.00 0.00 H new ATOM 485 N ALA A 35 2.084 -25.753 16.851 1.00 0.00 N ATOM 486 CA ALA A 35 1.384 -26.314 17.999 1.00 0.00 C ATOM 487 C ALA A 35 2.070 -27.595 18.449 1.00 0.00 C ATOM 488 O ALA A 35 2.231 -27.843 19.644 1.00 0.00 O ATOM 489 CB ALA A 35 -0.070 -26.604 17.633 1.00 0.00 C ATOM 0 H ALA A 35 1.560 -25.796 15.977 1.00 0.00 H new ATOM 0 HA ALA A 35 1.407 -25.592 18.815 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.586 -27.023 18.497 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -0.561 -25.679 17.331 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.103 -27.317 16.810 1.00 0.00 H new ATOM 495 N THR A 36 2.479 -28.407 17.480 1.00 0.00 N ATOM 496 CA THR A 36 3.157 -29.664 17.769 1.00 0.00 C ATOM 497 C THR A 36 4.470 -29.393 18.489 1.00 0.00 C ATOM 498 O THR A 36 4.677 -29.850 19.612 1.00 0.00 O ATOM 499 CB THR A 36 3.412 -30.425 16.468 1.00 0.00 C ATOM 500 OG1 THR A 36 2.208 -30.524 15.723 1.00 0.00 O ATOM 501 CG2 THR A 36 3.967 -31.816 16.750 1.00 0.00 C ATOM 0 H THR A 36 2.352 -28.216 16.486 1.00 0.00 H new ATOM 0 HA THR A 36 2.524 -30.273 18.415 1.00 0.00 H new ATOM 0 HB THR A 36 4.152 -29.874 15.887 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.970 -29.643 15.367 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.140 -32.337 15.808 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.907 -31.729 17.294 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.251 -32.379 17.350 1.00 0.00 H new ATOM 509 N ILE A 37 5.352 -28.639 17.841 1.00 0.00 N ATOM 510 CA ILE A 37 6.639 -28.299 18.421 1.00 0.00 C ATOM 511 C ILE A 37 6.452 -27.374 19.618 1.00 0.00 C ATOM 512 O ILE A 37 7.255 -27.376 20.551 1.00 0.00 O ATOM 513 CB ILE A 37 7.498 -27.640 17.364 1.00 0.00 C ATOM 514 CG1 ILE A 37 7.739 -28.640 16.237 1.00 0.00 C ATOM 515 CG2 ILE A 37 8.809 -27.111 17.959 1.00 0.00 C ATOM 516 CD1 ILE A 37 8.947 -29.519 16.505 1.00 0.00 C ATOM 0 H ILE A 37 5.195 -28.252 16.910 1.00 0.00 H new ATOM 0 HA ILE A 37 7.134 -29.205 18.772 1.00 0.00 H new ATOM 0 HB ILE A 37 6.980 -26.771 16.959 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.855 -29.266 16.113 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.883 -28.102 15.300 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.403 -26.644 17.173 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.587 -26.375 18.732 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.370 -27.937 18.395 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.081 -30.215 15.677 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.836 -28.896 16.602 1.00 0.00 H new ATOM 0 HD13 ILE A 37 8.793 -30.078 17.428 1.00 0.00 H new ATOM 528 N GLY A 38 5.383 -26.583 19.584 1.00 0.00 N ATOM 529 CA GLY A 38 5.083 -25.650 20.664 1.00 0.00 C ATOM 530 C GLY A 38 4.736 -26.400 21.941 1.00 0.00 C ATOM 531 O GLY A 38 5.321 -26.153 22.991 1.00 0.00 O ATOM 0 H GLY A 38 4.709 -26.570 18.818 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.941 -25.001 20.839 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.251 -25.008 20.376 1.00 0.00 H new ATOM 535 N ILE A 39 3.784 -27.326 21.848 1.00 0.00 N ATOM 536 CA ILE A 39 3.360 -28.122 23.004 1.00 0.00 C ATOM 537 C ILE A 39 4.577 -28.581 23.814 1.00 0.00 C ATOM 538 O ILE A 39 4.495 -28.754 25.031 1.00 0.00 O ATOM 539 CB ILE A 39 2.528 -29.319 22.524 1.00 0.00 C ATOM 540 CG1 ILE A 39 1.142 -28.847 22.093 1.00 0.00 C ATOM 541 CG2 ILE A 39 2.394 -30.395 23.610 1.00 0.00 C ATOM 542 CD1 ILE A 39 0.481 -29.853 21.157 1.00 0.00 C ATOM 0 H ILE A 39 3.289 -27.546 20.984 1.00 0.00 H new ATOM 0 HA ILE A 39 2.741 -27.508 23.659 1.00 0.00 H new ATOM 0 HB ILE A 39 3.049 -29.765 21.676 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.516 -28.700 22.973 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.223 -27.881 21.594 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.798 -31.224 23.229 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.384 -30.757 23.888 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.905 -29.969 24.486 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.505 -29.488 20.868 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.096 -29.980 20.266 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.378 -30.811 21.667 1.00 0.00 H new ATOM 554 N LYS A 40 5.702 -28.760 23.133 1.00 0.00 N ATOM 555 CA LYS A 40 6.935 -29.182 23.786 1.00 0.00 C ATOM 556 C LYS A 40 7.591 -27.994 24.483 1.00 0.00 C ATOM 557 O LYS A 40 7.669 -27.944 25.711 1.00 0.00 O ATOM 558 CB LYS A 40 7.888 -29.775 22.751 1.00 0.00 C ATOM 559 CG LYS A 40 8.483 -31.101 23.234 1.00 0.00 C ATOM 560 CD LYS A 40 9.196 -31.831 22.097 1.00 0.00 C ATOM 561 CE LYS A 40 10.702 -31.905 22.340 1.00 0.00 C ATOM 562 NZ LYS A 40 11.460 -31.865 21.057 1.00 0.00 N ATOM 0 H LYS A 40 5.786 -28.619 22.126 1.00 0.00 H new ATOM 0 HA LYS A 40 6.702 -29.941 24.533 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.356 -29.934 21.813 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.691 -29.067 22.546 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.185 -30.914 24.047 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.691 -31.733 23.636 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.792 -32.839 22.000 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.003 -31.317 21.155 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.012 -31.074 22.974 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.941 -32.822 22.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 12.480 -31.917 21.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.181 -32.672 20.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 11.249 -30.978 20.557 1.00 0.00 H new ATOM 576 N LEU A 41 8.065 -27.042 23.686 1.00 0.00 N ATOM 577 CA LEU A 41 8.725 -25.845 24.210 1.00 0.00 C ATOM 578 C LEU A 41 7.817 -25.088 25.176 1.00 0.00 C ATOM 579 O LEU A 41 8.264 -24.607 26.217 1.00 0.00 O ATOM 580 CB LEU A 41 9.136 -24.920 23.054 1.00 0.00 C ATOM 581 CG LEU A 41 7.978 -24.661 22.093 1.00 0.00 C ATOM 582 CD1 LEU A 41 7.334 -23.306 22.376 1.00 0.00 C ATOM 583 CD2 LEU A 41 8.461 -24.729 20.645 1.00 0.00 C ATOM 0 H LEU A 41 8.005 -27.074 22.668 1.00 0.00 H new ATOM 0 HA LEU A 41 9.613 -26.165 24.755 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.493 -23.972 23.457 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.967 -25.367 22.509 1.00 0.00 H new ATOM 0 HG LEU A 41 7.227 -25.436 22.246 1.00 0.00 H new ATOM 0 HD11 LEU A 41 6.511 -23.142 21.680 1.00 0.00 H new ATOM 0 HD12 LEU A 41 6.954 -23.290 23.397 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.076 -22.517 22.253 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.623 -24.542 19.973 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.232 -23.975 20.483 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.873 -25.718 20.445 1.00 0.00 H new ATOM 595 N PHE A 42 6.552 -24.982 24.818 1.00 0.00 N ATOM 596 CA PHE A 42 5.565 -24.280 25.632 1.00 0.00 C ATOM 597 C PHE A 42 5.358 -24.982 26.971 1.00 0.00 C ATOM 598 O PHE A 42 4.845 -24.386 27.919 1.00 0.00 O ATOM 599 CB PHE A 42 4.242 -24.211 24.879 1.00 0.00 C ATOM 600 CG PHE A 42 3.532 -22.892 25.056 1.00 0.00 C ATOM 601 CD1 PHE A 42 3.807 -21.837 24.201 1.00 0.00 C ATOM 602 CD2 PHE A 42 2.604 -22.735 26.072 1.00 0.00 C ATOM 603 CE1 PHE A 42 3.154 -20.626 24.364 1.00 0.00 C ATOM 604 CE2 PHE A 42 1.952 -21.524 26.235 1.00 0.00 C ATOM 605 CZ PHE A 42 2.227 -20.470 25.380 1.00 0.00 C ATOM 0 H PHE A 42 6.175 -25.378 23.957 1.00 0.00 H new ATOM 0 HA PHE A 42 5.933 -23.273 25.828 1.00 0.00 H new ATOM 0 HB2 PHE A 42 4.425 -24.379 23.818 1.00 0.00 H new ATOM 0 HB3 PHE A 42 3.592 -25.016 25.222 1.00 0.00 H new ATOM 0 HD1 PHE A 42 4.530 -21.959 23.408 1.00 0.00 H new ATOM 0 HD2 PHE A 42 2.389 -23.558 26.738 1.00 0.00 H new ATOM 0 HE1 PHE A 42 3.368 -19.803 23.698 1.00 0.00 H new ATOM 0 HE2 PHE A 42 1.230 -21.402 27.028 1.00 0.00 H new ATOM 0 HZ PHE A 42 1.718 -19.526 25.506 1.00 0.00 H new ATOM 615 N LYS A 43 5.755 -26.248 27.047 1.00 0.00 N ATOM 616 CA LYS A 43 5.608 -27.024 28.267 1.00 0.00 C ATOM 617 C LYS A 43 6.756 -26.704 29.234 1.00 0.00 C ATOM 618 O LYS A 43 6.576 -26.735 30.452 1.00 0.00 O ATOM 619 CB LYS A 43 5.540 -28.519 27.904 1.00 0.00 C ATOM 620 CG LYS A 43 6.262 -29.399 28.905 1.00 0.00 C ATOM 621 CD LYS A 43 5.700 -30.812 28.886 1.00 0.00 C ATOM 622 CE LYS A 43 6.285 -31.623 27.731 1.00 0.00 C ATOM 623 NZ LYS A 43 7.610 -32.202 28.093 1.00 0.00 N ATOM 0 H LYS A 43 6.182 -26.757 26.273 1.00 0.00 H new ATOM 0 HA LYS A 43 4.682 -26.761 28.779 1.00 0.00 H new ATOM 0 HB2 LYS A 43 4.496 -28.826 27.843 1.00 0.00 H new ATOM 0 HB3 LYS A 43 5.974 -28.669 26.916 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.327 -29.423 28.673 1.00 0.00 H new ATOM 0 HG3 LYS A 43 6.163 -28.977 29.905 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.922 -31.307 29.831 1.00 0.00 H new ATOM 0 HD3 LYS A 43 4.615 -30.773 28.794 1.00 0.00 H new ATOM 0 HE2 LYS A 43 5.597 -32.424 27.461 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.392 -30.985 26.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.982 -32.747 27.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.272 -31.435 28.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.502 -32.829 28.916 1.00 0.00 H new ATOM 637 N LYS A 44 7.930 -26.399 28.688 1.00 0.00 N ATOM 638 CA LYS A 44 9.094 -26.077 29.510 1.00 0.00 C ATOM 639 C LYS A 44 9.223 -24.570 29.703 1.00 0.00 C ATOM 640 O LYS A 44 9.882 -24.111 30.636 1.00 0.00 O ATOM 641 CB LYS A 44 10.362 -26.622 28.858 1.00 0.00 C ATOM 642 CG LYS A 44 10.553 -28.110 29.170 1.00 0.00 C ATOM 643 CD LYS A 44 12.045 -28.474 29.233 1.00 0.00 C ATOM 644 CE LYS A 44 12.641 -28.206 30.626 1.00 0.00 C ATOM 645 NZ LYS A 44 12.169 -26.908 31.187 1.00 0.00 N ATOM 0 H LYS A 44 8.101 -26.368 27.683 1.00 0.00 H new ATOM 0 HA LYS A 44 8.960 -26.542 30.487 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.309 -26.478 27.779 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.226 -26.060 29.212 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.076 -28.350 30.120 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.061 -28.711 28.406 1.00 0.00 H new ATOM 0 HD2 LYS A 44 12.173 -29.526 28.979 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.592 -27.897 28.487 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.366 -29.016 31.302 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.729 -28.200 30.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 12.618 -26.746 32.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.424 -26.136 30.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 11.136 -26.935 31.304 1.00 0.00 H new ATOM 659 N PHE A 45 8.598 -23.800 28.816 1.00 0.00 N ATOM 660 CA PHE A 45 8.654 -22.343 28.896 1.00 0.00 C ATOM 661 C PHE A 45 7.559 -21.812 29.814 1.00 0.00 C ATOM 662 O PHE A 45 7.836 -21.379 30.932 1.00 0.00 O ATOM 663 CB PHE A 45 8.510 -21.738 27.502 1.00 0.00 C ATOM 664 CG PHE A 45 9.534 -20.667 27.222 1.00 0.00 C ATOM 665 CD1 PHE A 45 10.886 -20.956 27.324 1.00 0.00 C ATOM 666 CD2 PHE A 45 9.126 -19.394 26.862 1.00 0.00 C ATOM 667 CE1 PHE A 45 11.827 -19.974 27.067 1.00 0.00 C ATOM 668 CE2 PHE A 45 10.067 -18.410 26.604 1.00 0.00 C ATOM 669 CZ PHE A 45 11.418 -18.701 26.706 1.00 0.00 C ATOM 0 H PHE A 45 8.048 -24.159 28.036 1.00 0.00 H new ATOM 0 HA PHE A 45 9.620 -22.056 29.311 1.00 0.00 H new ATOM 0 HB2 PHE A 45 8.604 -22.528 26.757 1.00 0.00 H new ATOM 0 HB3 PHE A 45 7.511 -21.316 27.395 1.00 0.00 H new ATOM 0 HD1 PHE A 45 11.206 -21.949 27.604 1.00 0.00 H new ATOM 0 HD2 PHE A 45 8.073 -19.168 26.782 1.00 0.00 H new ATOM 0 HE1 PHE A 45 12.880 -20.200 27.148 1.00 0.00 H new ATOM 0 HE2 PHE A 45 9.748 -17.417 26.324 1.00 0.00 H new ATOM 0 HZ PHE A 45 12.152 -17.935 26.504 1.00 0.00 H new ATOM 679 N THR A 46 6.316 -21.842 29.339 1.00 0.00 N ATOM 680 CA THR A 46 5.192 -21.361 30.113 1.00 0.00 C ATOM 681 C THR A 46 4.331 -22.539 30.570 1.00 0.00 C ATOM 682 O THR A 46 4.497 -23.045 31.679 1.00 0.00 O ATOM 683 CB THR A 46 4.391 -20.375 29.260 1.00 0.00 C ATOM 684 OG1 THR A 46 5.064 -19.127 29.211 1.00 0.00 O ATOM 685 CG2 THR A 46 2.979 -20.177 29.795 1.00 0.00 C ATOM 0 H THR A 46 6.069 -22.198 28.416 1.00 0.00 H new ATOM 0 HA THR A 46 5.541 -20.844 31.007 1.00 0.00 H new ATOM 0 HB THR A 46 4.310 -20.794 28.257 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.549 -18.499 28.663 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.445 -19.470 29.160 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.453 -21.132 29.796 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.027 -19.787 30.812 1.00 0.00 H new ATOM 693 N SER A 47 3.411 -22.971 29.709 1.00 0.00 N ATOM 694 CA SER A 47 2.524 -24.089 30.028 1.00 0.00 C ATOM 695 C SER A 47 1.429 -24.220 28.975 1.00 0.00 C ATOM 696 O SER A 47 0.800 -23.231 28.597 1.00 0.00 O ATOM 697 CB SER A 47 1.894 -23.884 31.404 1.00 0.00 C ATOM 698 OG SER A 47 2.355 -24.876 32.310 1.00 0.00 O ATOM 0 H SER A 47 3.260 -22.564 28.786 1.00 0.00 H new ATOM 0 HA SER A 47 3.115 -25.005 30.037 1.00 0.00 H new ATOM 0 HB2 SER A 47 2.144 -22.893 31.782 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.808 -23.931 31.325 1.00 0.00 H new ATOM 0 HG SER A 47 3.300 -24.717 32.517 1.00 0.00 H new ATOM 704 N LYS A 48 1.220 -25.450 28.499 1.00 0.00 N ATOM 705 CA LYS A 48 0.219 -25.752 27.480 1.00 0.00 C ATOM 706 C LYS A 48 -1.027 -24.882 27.637 1.00 0.00 C ATOM 707 O LYS A 48 -1.654 -24.495 26.651 1.00 0.00 O ATOM 708 CB LYS A 48 -0.187 -27.227 27.545 1.00 0.00 C ATOM 709 CG LYS A 48 1.020 -28.157 27.679 1.00 0.00 C ATOM 710 CD LYS A 48 1.257 -28.531 29.136 1.00 0.00 C ATOM 711 CE LYS A 48 0.931 -29.998 29.410 1.00 0.00 C ATOM 712 NZ LYS A 48 1.424 -30.880 28.314 1.00 0.00 N ATOM 0 H LYS A 48 1.744 -26.267 28.813 1.00 0.00 H new ATOM 0 HA LYS A 48 0.672 -25.537 26.512 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -0.856 -27.380 28.392 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -0.745 -27.488 26.646 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.857 -29.059 27.090 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.907 -27.669 27.275 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.297 -28.336 29.396 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.644 -27.897 29.777 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.382 -30.302 30.354 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -0.147 -30.118 29.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.597 -31.835 28.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.710 -30.928 27.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.309 -30.493 27.929 1.00 0.00 H new ATOM 726 N ALA A 49 -1.379 -24.580 28.883 1.00 0.00 N ATOM 727 CA ALA A 49 -2.547 -23.760 29.174 1.00 0.00 C ATOM 728 C ALA A 49 -2.510 -22.471 28.362 1.00 0.00 C ATOM 729 O ALA A 49 -1.804 -21.526 28.710 1.00 0.00 O ATOM 730 CB ALA A 49 -2.574 -23.440 30.661 1.00 0.00 C ATOM 0 H ALA A 49 -0.869 -24.893 29.709 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.448 -24.310 28.901 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.446 -22.826 30.885 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.626 -24.367 31.232 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.669 -22.897 30.933 1.00 0.00 H new ATOM 736 N SER A 50 -3.278 -22.440 27.276 1.00 0.00 N ATOM 737 CA SER A 50 -3.335 -21.266 26.412 1.00 0.00 C ATOM 738 C SER A 50 -1.951 -20.936 25.869 1.00 0.00 C ATOM 739 O SER A 50 -1.188 -21.879 25.571 1.00 0.00 O ATOM 740 CB SER A 50 -3.886 -20.076 27.190 1.00 0.00 C ATOM 741 OG SER A 50 -5.269 -20.261 27.461 1.00 0.00 O ATOM 742 OXT SER A 50 -1.632 -19.735 25.743 1.00 0.00 O ATOM 0 H SER A 50 -3.869 -23.215 26.974 1.00 0.00 H new ATOM 0 HA SER A 50 -3.995 -21.483 25.572 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.338 -19.959 28.125 1.00 0.00 H new ATOM 0 HB3 SER A 50 -3.740 -19.160 26.618 1.00 0.00 H new ATOM 0 HG SER A 50 -5.610 -19.491 27.962 1.00 0.00 H new TER 748 SER A 50