USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 472 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 TYR OH : rot -15:sc= -1.27 USER MOD Set 1.2: A 23 GLN : amide:sc= -0.813 K(o=-2.1,f=-8.4!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 GLN : amide:sc=-0.00651 X(o=-0.0065,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.147 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 42:sc= 0.0518 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.0155 X(o=-0.016,f=-0.0077) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.04) USER MOD Single : A 61 LYS NZ :NH3+ -156:sc= 1.15 (180deg=0.589) USER MOD Single : A 62 HIS : no HD1:sc= -0.161 K(o=-0.16,f=-0.75) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0749 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -6.813 12.538 -14.762 1.00 0.00 N ATOM 2 CA GLY A 1 -8.103 11.885 -14.913 1.00 0.00 C ATOM 3 C GLY A 1 -7.953 10.527 -15.601 1.00 0.00 C ATOM 4 O GLY A 1 -7.771 9.508 -14.938 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.942 13.457 -14.293 1.00 0.00 H new ATOM 0 H2 GLY A 1 -6.187 11.940 -14.186 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.386 12.685 -15.699 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.564 11.752 -13.934 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.770 12.520 -15.496 1.00 0.00 H new ATOM 8 N SER A 2 -8.035 10.558 -16.923 1.00 0.00 N ATOM 9 CA SER A 2 -7.911 9.342 -17.709 1.00 0.00 C ATOM 10 C SER A 2 -6.439 9.073 -18.029 1.00 0.00 C ATOM 11 O SER A 2 -5.750 9.939 -18.566 1.00 0.00 O ATOM 12 CB SER A 2 -8.727 9.434 -19.000 1.00 0.00 C ATOM 13 OG SER A 2 -9.337 8.191 -19.336 1.00 0.00 O ATOM 0 H SER A 2 -8.186 11.406 -17.470 1.00 0.00 H new ATOM 0 HA SER A 2 -8.305 8.513 -17.121 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.497 10.197 -18.888 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.079 9.752 -19.817 1.00 0.00 H new ATOM 0 HG SER A 2 -9.850 8.292 -20.165 1.00 0.00 H new ATOM 19 N SER A 3 -6.002 7.871 -17.687 1.00 0.00 N ATOM 20 CA SER A 3 -4.624 7.478 -17.931 1.00 0.00 C ATOM 21 C SER A 3 -3.675 8.374 -17.133 1.00 0.00 C ATOM 22 O SER A 3 -3.097 9.313 -17.678 1.00 0.00 O ATOM 23 CB SER A 3 -4.289 7.545 -19.422 1.00 0.00 C ATOM 24 OG SER A 3 -4.821 6.434 -20.139 1.00 0.00 O ATOM 0 H SER A 3 -6.577 7.155 -17.243 1.00 0.00 H new ATOM 0 HA SER A 3 -4.499 6.446 -17.604 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.685 8.470 -19.841 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.207 7.574 -19.550 1.00 0.00 H new ATOM 0 HG SER A 3 -4.587 6.514 -21.087 1.00 0.00 H new ATOM 30 N GLY A 4 -3.543 8.052 -15.855 1.00 0.00 N ATOM 31 CA GLY A 4 -2.674 8.816 -14.976 1.00 0.00 C ATOM 32 C GLY A 4 -3.450 9.360 -13.775 1.00 0.00 C ATOM 33 O GLY A 4 -4.573 9.839 -13.922 1.00 0.00 O ATOM 0 H GLY A 4 -4.024 7.272 -15.407 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -1.856 8.185 -14.629 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -2.227 9.642 -15.529 1.00 0.00 H new ATOM 37 N SER A 5 -2.819 9.268 -12.613 1.00 0.00 N ATOM 38 CA SER A 5 -3.436 9.745 -11.387 1.00 0.00 C ATOM 39 C SER A 5 -4.685 8.918 -11.073 1.00 0.00 C ATOM 40 O SER A 5 -5.761 9.187 -11.604 1.00 0.00 O ATOM 41 CB SER A 5 -3.795 11.229 -11.492 1.00 0.00 C ATOM 42 OG SER A 5 -2.748 12.067 -11.011 1.00 0.00 O ATOM 0 H SER A 5 -1.887 8.870 -12.495 1.00 0.00 H new ATOM 0 HA SER A 5 -2.718 9.629 -10.575 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.010 11.477 -12.531 1.00 0.00 H new ATOM 0 HB3 SER A 5 -4.705 11.423 -10.924 1.00 0.00 H new ATOM 0 HG SER A 5 -3.015 13.006 -11.097 1.00 0.00 H new ATOM 48 N SER A 6 -4.499 7.928 -10.212 1.00 0.00 N ATOM 49 CA SER A 6 -5.596 7.060 -9.821 1.00 0.00 C ATOM 50 C SER A 6 -5.128 6.075 -8.748 1.00 0.00 C ATOM 51 O SER A 6 -4.348 5.167 -9.032 1.00 0.00 O ATOM 52 CB SER A 6 -6.157 6.304 -11.028 1.00 0.00 C ATOM 53 OG SER A 6 -7.338 5.577 -10.700 1.00 0.00 O ATOM 0 H SER A 6 -3.604 7.708 -9.774 1.00 0.00 H new ATOM 0 HA SER A 6 -6.394 7.680 -9.412 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.377 7.011 -11.828 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.402 5.616 -11.408 1.00 0.00 H new ATOM 0 HG SER A 6 -7.666 5.110 -11.496 1.00 0.00 H new ATOM 59 N GLY A 7 -5.624 6.288 -7.538 1.00 0.00 N ATOM 60 CA GLY A 7 -5.266 5.430 -6.421 1.00 0.00 C ATOM 61 C GLY A 7 -4.319 6.150 -5.459 1.00 0.00 C ATOM 62 O GLY A 7 -4.022 7.330 -5.640 1.00 0.00 O ATOM 0 H GLY A 7 -6.271 7.042 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.167 5.124 -5.889 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.791 4.522 -6.793 1.00 0.00 H new ATOM 66 N GLU A 8 -3.871 5.409 -4.456 1.00 0.00 N ATOM 67 CA GLU A 8 -2.964 5.962 -3.464 1.00 0.00 C ATOM 68 C GLU A 8 -1.598 5.280 -3.556 1.00 0.00 C ATOM 69 O GLU A 8 -1.509 4.053 -3.526 1.00 0.00 O ATOM 70 CB GLU A 8 -3.548 5.833 -2.055 1.00 0.00 C ATOM 71 CG GLU A 8 -4.872 6.590 -1.939 1.00 0.00 C ATOM 72 CD GLU A 8 -5.788 5.937 -0.902 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.235 5.331 0.041 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.020 6.059 -1.075 1.00 0.00 O ATOM 0 H GLU A 8 -4.119 4.431 -4.309 1.00 0.00 H new ATOM 0 HA GLU A 8 -2.833 7.024 -3.671 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.705 4.781 -1.817 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -2.837 6.222 -1.326 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.680 7.626 -1.659 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -5.370 6.610 -2.908 1.00 0.00 H new ATOM 81 N GLU A 9 -0.567 6.104 -3.666 1.00 0.00 N ATOM 82 CA GLU A 9 0.791 5.596 -3.762 1.00 0.00 C ATOM 83 C GLU A 9 1.385 5.399 -2.366 1.00 0.00 C ATOM 84 O GLU A 9 1.676 6.370 -1.669 1.00 0.00 O ATOM 85 CB GLU A 9 1.667 6.527 -4.604 1.00 0.00 C ATOM 86 CG GLU A 9 2.210 5.802 -5.837 1.00 0.00 C ATOM 87 CD GLU A 9 2.174 6.711 -7.067 1.00 0.00 C ATOM 88 OE1 GLU A 9 2.743 7.820 -6.970 1.00 0.00 O ATOM 89 OE2 GLU A 9 1.579 6.277 -8.077 1.00 0.00 O ATOM 0 H GLU A 9 -0.645 7.121 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 9 0.761 4.628 -4.262 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.087 7.396 -4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 9 2.496 6.897 -4.001 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.233 5.477 -5.651 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.620 4.905 -6.026 1.00 0.00 H new ATOM 96 N PHE A 10 1.546 4.137 -1.999 1.00 0.00 N ATOM 97 CA PHE A 10 2.099 3.800 -0.698 1.00 0.00 C ATOM 98 C PHE A 10 3.494 3.187 -0.838 1.00 0.00 C ATOM 99 O PHE A 10 3.866 2.719 -1.913 1.00 0.00 O ATOM 100 CB PHE A 10 1.163 2.769 -0.066 1.00 0.00 C ATOM 101 CG PHE A 10 0.003 3.382 0.721 1.00 0.00 C ATOM 102 CD1 PHE A 10 -1.037 3.960 0.061 1.00 0.00 C ATOM 103 CD2 PHE A 10 0.011 3.349 2.081 1.00 0.00 C ATOM 104 CE1 PHE A 10 -2.113 4.528 0.792 1.00 0.00 C ATOM 105 CE2 PHE A 10 -1.065 3.918 2.811 1.00 0.00 C ATOM 106 CZ PHE A 10 -2.105 4.496 2.152 1.00 0.00 C ATOM 0 H PHE A 10 1.303 3.334 -2.580 1.00 0.00 H new ATOM 0 HA PHE A 10 2.185 4.698 -0.087 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.759 2.131 -0.852 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.741 2.128 0.599 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.044 3.987 -1.019 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.836 2.890 2.605 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.939 4.986 0.268 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.058 3.892 3.891 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.924 4.929 2.708 1.00 0.00 H new ATOM 116 N VAL A 11 4.228 3.208 0.265 1.00 0.00 N ATOM 117 CA VAL A 11 5.574 2.660 0.279 1.00 0.00 C ATOM 118 C VAL A 11 5.645 1.521 1.298 1.00 0.00 C ATOM 119 O VAL A 11 5.120 1.638 2.404 1.00 0.00 O ATOM 120 CB VAL A 11 6.589 3.772 0.554 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.826 3.220 1.266 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.976 4.492 -0.739 1.00 0.00 C ATOM 0 H VAL A 11 3.916 3.596 1.155 1.00 0.00 H new ATOM 0 HA VAL A 11 5.826 2.241 -0.695 1.00 0.00 H new ATOM 0 HB VAL A 11 6.119 4.500 1.215 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.532 4.030 1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.530 2.774 2.215 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.298 2.462 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.698 5.277 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.419 3.779 -1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.087 4.934 -1.190 1.00 0.00 H new ATOM 132 N ALA A 12 6.298 0.443 0.888 1.00 0.00 N ATOM 133 CA ALA A 12 6.445 -0.717 1.751 1.00 0.00 C ATOM 134 C ALA A 12 7.452 -0.399 2.858 1.00 0.00 C ATOM 135 O ALA A 12 8.620 -0.131 2.581 1.00 0.00 O ATOM 136 CB ALA A 12 6.861 -1.927 0.913 1.00 0.00 C ATOM 0 H ALA A 12 6.731 0.349 -0.031 1.00 0.00 H new ATOM 0 HA ALA A 12 5.497 -0.963 2.229 1.00 0.00 H new ATOM 0 HB1 ALA A 12 6.971 -2.797 1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.098 -2.128 0.161 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.811 -1.719 0.420 1.00 0.00 H new ATOM 142 N ILE A 13 6.963 -0.441 4.088 1.00 0.00 N ATOM 143 CA ILE A 13 7.806 -0.161 5.238 1.00 0.00 C ATOM 144 C ILE A 13 8.943 -1.184 5.292 1.00 0.00 C ATOM 145 O ILE A 13 9.932 -0.981 5.996 1.00 0.00 O ATOM 146 CB ILE A 13 6.967 -0.106 6.517 1.00 0.00 C ATOM 147 CG1 ILE A 13 6.192 -1.409 6.721 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.046 1.115 6.515 1.00 0.00 C ATOM 149 CD1 ILE A 13 6.142 -1.791 8.201 1.00 0.00 C ATOM 0 H ILE A 13 5.994 -0.665 4.314 1.00 0.00 H new ATOM 0 HA ILE A 13 8.265 0.823 5.143 1.00 0.00 H new ATOM 0 HB ILE A 13 7.643 0.002 7.365 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.178 -1.297 6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.663 -2.210 6.151 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.461 1.131 7.434 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.646 2.023 6.451 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.374 1.063 5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.585 -2.721 8.318 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.156 -1.926 8.577 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.649 -0.999 8.765 1.00 0.00 H new ATOM 161 N ALA A 14 8.765 -2.260 4.540 1.00 0.00 N ATOM 162 CA ALA A 14 9.763 -3.314 4.494 1.00 0.00 C ATOM 163 C ALA A 14 9.411 -4.295 3.373 1.00 0.00 C ATOM 164 O ALA A 14 8.242 -4.452 3.025 1.00 0.00 O ATOM 165 CB ALA A 14 9.849 -3.997 5.860 1.00 0.00 C ATOM 0 H ALA A 14 7.944 -2.424 3.957 1.00 0.00 H new ATOM 0 HA ALA A 14 10.747 -2.901 4.274 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.598 -4.788 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 14 10.130 -3.264 6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.880 -4.426 6.114 1.00 0.00 H new ATOM 171 N ASP A 15 10.445 -4.929 2.839 1.00 0.00 N ATOM 172 CA ASP A 15 10.260 -5.890 1.765 1.00 0.00 C ATOM 173 C ASP A 15 9.273 -6.969 2.217 1.00 0.00 C ATOM 174 O ASP A 15 9.212 -7.304 3.399 1.00 0.00 O ATOM 175 CB ASP A 15 11.579 -6.576 1.406 1.00 0.00 C ATOM 176 CG ASP A 15 11.435 -7.935 0.717 1.00 0.00 C ATOM 177 OD1 ASP A 15 11.219 -8.923 1.451 1.00 0.00 O ATOM 178 OD2 ASP A 15 11.544 -7.953 -0.528 1.00 0.00 O ATOM 0 H ASP A 15 11.413 -4.796 3.130 1.00 0.00 H new ATOM 0 HA ASP A 15 9.884 -5.354 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.150 -5.914 0.755 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.162 -6.708 2.317 1.00 0.00 H new ATOM 183 N TYR A 16 8.525 -7.483 1.252 1.00 0.00 N ATOM 184 CA TYR A 16 7.545 -8.517 1.535 1.00 0.00 C ATOM 185 C TYR A 16 7.697 -9.697 0.573 1.00 0.00 C ATOM 186 O TYR A 16 8.312 -9.564 -0.484 1.00 0.00 O ATOM 187 CB TYR A 16 6.175 -7.871 1.318 1.00 0.00 C ATOM 188 CG TYR A 16 5.015 -8.868 1.284 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.764 -9.672 2.377 1.00 0.00 C ATOM 190 CD2 TYR A 16 4.219 -8.962 0.161 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.672 -10.610 2.346 1.00 0.00 C ATOM 192 CE2 TYR A 16 3.127 -9.901 0.129 1.00 0.00 C ATOM 193 CZ TYR A 16 2.907 -10.678 1.223 1.00 0.00 C ATOM 194 OH TYR A 16 1.876 -11.564 1.193 1.00 0.00 O ATOM 0 H TYR A 16 8.578 -7.202 0.273 1.00 0.00 H new ATOM 0 HA TYR A 16 7.672 -8.898 2.548 1.00 0.00 H new ATOM 0 HB2 TYR A 16 5.996 -7.148 2.114 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.191 -7.316 0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.387 -9.598 3.256 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.415 -8.332 -0.694 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.465 -11.245 3.195 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.497 -9.986 -0.744 1.00 0.00 H new ATOM 0 HH TYR A 16 1.978 -12.209 1.923 1.00 0.00 H new ATOM 204 N ALA A 17 7.128 -10.824 0.974 1.00 0.00 N ATOM 205 CA ALA A 17 7.193 -12.026 0.160 1.00 0.00 C ATOM 206 C ALA A 17 5.815 -12.690 0.128 1.00 0.00 C ATOM 207 O ALA A 17 5.379 -13.270 1.121 1.00 0.00 O ATOM 208 CB ALA A 17 8.277 -12.956 0.709 1.00 0.00 C ATOM 0 H ALA A 17 6.620 -10.930 1.852 1.00 0.00 H new ATOM 0 HA ALA A 17 7.464 -11.781 -0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.326 -13.858 0.099 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.241 -12.447 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.038 -13.227 1.737 1.00 0.00 H new ATOM 214 N ALA A 18 5.169 -12.584 -1.024 1.00 0.00 N ATOM 215 CA ALA A 18 3.850 -13.167 -1.198 1.00 0.00 C ATOM 216 C ALA A 18 3.893 -14.644 -0.799 1.00 0.00 C ATOM 217 O ALA A 18 4.627 -15.431 -1.395 1.00 0.00 O ATOM 218 CB ALA A 18 3.390 -12.968 -2.644 1.00 0.00 C ATOM 0 H ALA A 18 5.535 -12.103 -1.846 1.00 0.00 H new ATOM 0 HA ALA A 18 3.124 -12.672 -0.553 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.400 -13.406 -2.774 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.348 -11.902 -2.869 1.00 0.00 H new ATOM 0 HB3 ALA A 18 4.094 -13.454 -3.320 1.00 0.00 H new ATOM 224 N THR A 19 3.097 -14.975 0.207 1.00 0.00 N ATOM 225 CA THR A 19 3.035 -16.343 0.693 1.00 0.00 C ATOM 226 C THR A 19 2.180 -17.203 -0.241 1.00 0.00 C ATOM 227 O THR A 19 2.370 -18.415 -0.321 1.00 0.00 O ATOM 228 CB THR A 19 2.518 -16.311 2.132 1.00 0.00 C ATOM 229 OG1 THR A 19 3.688 -16.489 2.926 1.00 0.00 O ATOM 230 CG2 THR A 19 1.650 -17.525 2.470 1.00 0.00 C ATOM 0 H THR A 19 2.490 -14.320 0.699 1.00 0.00 H new ATOM 0 HA THR A 19 4.022 -16.806 0.697 1.00 0.00 H new ATOM 0 HB THR A 19 1.943 -15.399 2.290 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.444 -16.479 3.875 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.309 -17.452 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.787 -17.552 1.804 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.234 -18.436 2.344 1.00 0.00 H new ATOM 238 N ASP A 20 1.258 -16.540 -0.923 1.00 0.00 N ATOM 239 CA ASP A 20 0.373 -17.228 -1.848 1.00 0.00 C ATOM 240 C ASP A 20 0.593 -16.681 -3.260 1.00 0.00 C ATOM 241 O ASP A 20 1.473 -15.849 -3.477 1.00 0.00 O ATOM 242 CB ASP A 20 -1.094 -17.004 -1.477 1.00 0.00 C ATOM 243 CG ASP A 20 -1.971 -18.257 -1.519 1.00 0.00 C ATOM 244 OD1 ASP A 20 -1.393 -19.347 -1.720 1.00 0.00 O ATOM 245 OD2 ASP A 20 -3.199 -18.096 -1.350 1.00 0.00 O ATOM 0 H ASP A 20 1.104 -15.534 -0.854 1.00 0.00 H new ATOM 0 HA ASP A 20 0.598 -18.293 -1.800 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.139 -16.581 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.515 -16.261 -2.155 1.00 0.00 H new ATOM 250 N GLU A 21 -0.221 -17.171 -4.183 1.00 0.00 N ATOM 251 CA GLU A 21 -0.127 -16.741 -5.568 1.00 0.00 C ATOM 252 C GLU A 21 -1.205 -15.700 -5.876 1.00 0.00 C ATOM 253 O GLU A 21 -1.518 -15.450 -7.039 1.00 0.00 O ATOM 254 CB GLU A 21 -0.229 -17.934 -6.520 1.00 0.00 C ATOM 255 CG GLU A 21 -1.600 -18.605 -6.414 1.00 0.00 C ATOM 256 CD GLU A 21 -1.458 -20.118 -6.237 1.00 0.00 C ATOM 257 OE1 GLU A 21 -0.691 -20.712 -7.025 1.00 0.00 O ATOM 258 OE2 GLU A 21 -2.120 -20.646 -5.317 1.00 0.00 O ATOM 0 H GLU A 21 -0.949 -17.862 -3.999 1.00 0.00 H new ATOM 0 HA GLU A 21 0.849 -16.279 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.061 -17.602 -7.544 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.553 -18.657 -6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.149 -18.187 -5.571 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.183 -18.393 -7.311 1.00 0.00 H new ATOM 265 N THR A 22 -1.744 -15.121 -4.813 1.00 0.00 N ATOM 266 CA THR A 22 -2.781 -14.113 -4.955 1.00 0.00 C ATOM 267 C THR A 22 -2.358 -12.813 -4.269 1.00 0.00 C ATOM 268 O THR A 22 -3.151 -11.880 -4.156 1.00 0.00 O ATOM 269 CB THR A 22 -4.084 -14.695 -4.404 1.00 0.00 C ATOM 270 OG1 THR A 22 -3.773 -15.027 -3.054 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.444 -16.037 -5.045 1.00 0.00 C ATOM 0 H THR A 22 -1.482 -15.331 -3.850 1.00 0.00 H new ATOM 0 HA THR A 22 -2.941 -13.854 -6.002 1.00 0.00 H new ATOM 0 HB THR A 22 -4.895 -13.986 -4.568 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.564 -15.410 -2.621 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.377 -16.406 -4.618 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.564 -15.906 -6.120 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.648 -16.757 -4.854 1.00 0.00 H new ATOM 279 N GLN A 23 -1.108 -12.793 -3.828 1.00 0.00 N ATOM 280 CA GLN A 23 -0.570 -11.622 -3.156 1.00 0.00 C ATOM 281 C GLN A 23 0.436 -10.907 -4.060 1.00 0.00 C ATOM 282 O GLN A 23 0.868 -11.458 -5.071 1.00 0.00 O ATOM 283 CB GLN A 23 0.068 -12.003 -1.819 1.00 0.00 C ATOM 284 CG GLN A 23 -0.978 -12.560 -0.851 1.00 0.00 C ATOM 285 CD GLN A 23 -0.311 -13.304 0.308 1.00 0.00 C ATOM 286 OE1 GLN A 23 0.327 -14.329 0.136 1.00 0.00 O ATOM 287 NE2 GLN A 23 -0.495 -12.732 1.495 1.00 0.00 N ATOM 0 H GLN A 23 -0.453 -13.569 -3.923 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.392 -10.937 -2.947 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.849 -12.746 -1.983 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.547 -11.129 -1.378 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.589 -11.745 -0.462 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.649 -13.235 -1.383 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -1.041 -11.873 1.568 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.090 -13.152 2.332 1.00 0.00 H new ATOM 296 N LEU A 24 0.779 -9.691 -3.663 1.00 0.00 N ATOM 297 CA LEU A 24 1.727 -8.894 -4.424 1.00 0.00 C ATOM 298 C LEU A 24 3.018 -8.738 -3.619 1.00 0.00 C ATOM 299 O LEU A 24 2.986 -8.316 -2.464 1.00 0.00 O ATOM 300 CB LEU A 24 1.096 -7.564 -4.840 1.00 0.00 C ATOM 301 CG LEU A 24 0.104 -7.626 -6.003 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.229 -6.224 -6.516 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.624 -8.536 -7.119 1.00 0.00 C ATOM 0 H LEU A 24 0.418 -9.237 -2.824 1.00 0.00 H new ATOM 0 HA LEU A 24 1.990 -9.399 -5.353 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.585 -7.141 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.896 -6.873 -5.107 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.825 -8.063 -5.636 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.936 -6.297 -7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.672 -5.638 -5.711 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.683 -5.737 -6.861 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.100 -8.563 -7.934 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.574 -8.151 -7.490 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.769 -9.544 -6.729 1.00 0.00 H new ATOM 315 N SER A 25 4.124 -9.086 -4.261 1.00 0.00 N ATOM 316 CA SER A 25 5.424 -8.989 -3.619 1.00 0.00 C ATOM 317 C SER A 25 6.116 -7.688 -4.031 1.00 0.00 C ATOM 318 O SER A 25 6.078 -7.305 -5.199 1.00 0.00 O ATOM 319 CB SER A 25 6.302 -10.192 -3.969 1.00 0.00 C ATOM 320 OG SER A 25 6.442 -10.358 -5.377 1.00 0.00 O ATOM 0 H SER A 25 4.146 -9.435 -5.219 1.00 0.00 H new ATOM 0 HA SER A 25 5.273 -8.986 -2.540 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.287 -10.065 -3.519 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.869 -11.095 -3.539 1.00 0.00 H new ATOM 0 HG SER A 25 7.011 -11.135 -5.560 1.00 0.00 H new ATOM 326 N PHE A 26 6.731 -7.046 -3.050 1.00 0.00 N ATOM 327 CA PHE A 26 7.431 -5.796 -3.296 1.00 0.00 C ATOM 328 C PHE A 26 8.643 -5.655 -2.374 1.00 0.00 C ATOM 329 O PHE A 26 8.844 -6.473 -1.478 1.00 0.00 O ATOM 330 CB PHE A 26 6.444 -4.665 -2.999 1.00 0.00 C ATOM 331 CG PHE A 26 5.450 -4.985 -1.880 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.841 -4.905 -0.580 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.176 -5.348 -2.187 1.00 0.00 C ATOM 334 CE1 PHE A 26 4.918 -5.202 0.458 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.253 -5.645 -1.149 1.00 0.00 C ATOM 336 CZ PHE A 26 3.644 -5.566 0.151 1.00 0.00 C ATOM 0 H PHE A 26 6.760 -7.367 -2.082 1.00 0.00 H new ATOM 0 HA PHE A 26 7.787 -5.766 -4.326 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.004 -3.770 -2.729 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.890 -4.432 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.853 -4.616 -0.337 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.866 -5.410 -3.220 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.228 -5.139 1.491 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.241 -5.933 -1.392 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.942 -5.792 0.940 1.00 0.00 H new ATOM 346 N LEU A 27 9.420 -4.612 -2.626 1.00 0.00 N ATOM 347 CA LEU A 27 10.608 -4.354 -1.830 1.00 0.00 C ATOM 348 C LEU A 27 10.446 -3.019 -1.100 1.00 0.00 C ATOM 349 O LEU A 27 9.878 -2.074 -1.645 1.00 0.00 O ATOM 350 CB LEU A 27 11.864 -4.431 -2.700 1.00 0.00 C ATOM 351 CG LEU A 27 12.873 -3.294 -2.524 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.659 -3.456 -1.221 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.795 -3.186 -3.740 1.00 0.00 C ATOM 0 H LEU A 27 9.250 -3.936 -3.370 1.00 0.00 H new ATOM 0 HA LEU A 27 10.730 -5.123 -1.067 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.369 -5.374 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.557 -4.459 -3.745 1.00 0.00 H new ATOM 0 HG LEU A 27 12.322 -2.356 -2.454 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.369 -2.635 -1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.970 -3.445 -0.377 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.199 -4.403 -1.237 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.502 -2.370 -3.589 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.341 -4.121 -3.867 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.200 -2.990 -4.632 1.00 0.00 H new ATOM 365 N ARG A 28 10.957 -2.983 0.122 1.00 0.00 N ATOM 366 CA ARG A 28 10.876 -1.780 0.932 1.00 0.00 C ATOM 367 C ARG A 28 11.123 -0.541 0.069 1.00 0.00 C ATOM 368 O ARG A 28 12.185 -0.403 -0.537 1.00 0.00 O ATOM 369 CB ARG A 28 11.900 -1.812 2.069 1.00 0.00 C ATOM 370 CG ARG A 28 11.691 -0.638 3.028 1.00 0.00 C ATOM 371 CD ARG A 28 13.031 -0.088 3.521 1.00 0.00 C ATOM 372 NE ARG A 28 13.398 1.119 2.747 1.00 0.00 N ATOM 373 CZ ARG A 28 14.463 1.888 3.015 1.00 0.00 C ATOM 374 NH1 ARG A 28 15.271 1.581 4.038 1.00 0.00 N ATOM 375 NH2 ARG A 28 14.719 2.964 2.258 1.00 0.00 N ATOM 0 H ARG A 28 11.429 -3.768 0.571 1.00 0.00 H new ATOM 0 HA ARG A 28 9.875 -1.736 1.360 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.814 -2.752 2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.908 -1.774 1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 28 11.132 0.152 2.526 1.00 0.00 H new ATOM 0 HG3 ARG A 28 11.091 -0.961 3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.965 0.156 4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.806 -0.847 3.416 1.00 0.00 H new ATOM 0 HE ARG A 28 12.804 1.382 1.961 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.076 0.762 4.614 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.081 2.166 4.241 1.00 0.00 H new ATOM 0 HH21 ARG A 28 14.104 3.197 1.479 1.00 0.00 H new ATOM 0 HH22 ARG A 28 15.529 3.550 2.461 1.00 0.00 H new ATOM 389 N GLY A 29 10.124 0.329 0.039 1.00 0.00 N ATOM 390 CA GLY A 29 10.219 1.551 -0.740 1.00 0.00 C ATOM 391 C GLY A 29 9.330 1.479 -1.984 1.00 0.00 C ATOM 392 O GLY A 29 8.810 2.496 -2.439 1.00 0.00 O ATOM 0 H GLY A 29 9.245 0.211 0.542 1.00 0.00 H new ATOM 0 HA2 GLY A 29 9.923 2.402 -0.126 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.254 1.717 -1.038 1.00 0.00 H new ATOM 396 N GLU A 30 9.184 0.267 -2.498 1.00 0.00 N ATOM 397 CA GLU A 30 8.367 0.049 -3.680 1.00 0.00 C ATOM 398 C GLU A 30 7.056 0.830 -3.570 1.00 0.00 C ATOM 399 O GLU A 30 6.347 0.723 -2.571 1.00 0.00 O ATOM 400 CB GLU A 30 8.100 -1.443 -3.894 1.00 0.00 C ATOM 401 CG GLU A 30 9.155 -2.062 -4.813 1.00 0.00 C ATOM 402 CD GLU A 30 8.580 -3.251 -5.585 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.457 -3.096 -6.111 1.00 0.00 O ATOM 404 OE2 GLU A 30 9.277 -4.288 -5.632 1.00 0.00 O ATOM 0 H GLU A 30 9.617 -0.574 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 30 8.914 0.415 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.102 -1.958 -2.933 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.109 -1.580 -4.327 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.518 -1.310 -5.514 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.011 -2.387 -4.222 1.00 0.00 H new ATOM 411 N LYS A 31 6.774 1.598 -4.613 1.00 0.00 N ATOM 412 CA LYS A 31 5.560 2.396 -4.646 1.00 0.00 C ATOM 413 C LYS A 31 4.367 1.491 -4.956 1.00 0.00 C ATOM 414 O LYS A 31 4.121 1.156 -6.114 1.00 0.00 O ATOM 415 CB LYS A 31 5.715 3.565 -5.622 1.00 0.00 C ATOM 416 CG LYS A 31 6.778 4.551 -5.133 1.00 0.00 C ATOM 417 CD LYS A 31 6.180 5.556 -4.146 1.00 0.00 C ATOM 418 CE LYS A 31 7.280 6.270 -3.358 1.00 0.00 C ATOM 419 NZ LYS A 31 7.635 7.551 -4.008 1.00 0.00 N ATOM 0 H LYS A 31 7.365 1.684 -5.440 1.00 0.00 H new ATOM 0 HA LYS A 31 5.373 2.846 -3.671 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.990 3.187 -6.607 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.760 4.079 -5.733 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.592 4.006 -4.655 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.206 5.082 -5.984 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.580 6.289 -4.686 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.510 5.041 -3.458 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.944 6.454 -2.338 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.161 5.632 -3.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 8.383 8.023 -3.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 7.976 7.368 -4.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 6.796 8.164 -4.048 1.00 0.00 H new ATOM 433 N ILE A 32 3.657 1.119 -3.901 1.00 0.00 N ATOM 434 CA ILE A 32 2.495 0.259 -4.045 1.00 0.00 C ATOM 435 C ILE A 32 1.247 1.122 -4.235 1.00 0.00 C ATOM 436 O ILE A 32 1.151 2.213 -3.674 1.00 0.00 O ATOM 437 CB ILE A 32 2.398 -0.713 -2.867 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.782 -1.229 -2.467 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.428 -1.855 -3.177 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.330 -2.198 -3.516 1.00 0.00 C ATOM 0 H ILE A 32 3.864 1.398 -2.942 1.00 0.00 H new ATOM 0 HA ILE A 32 2.590 -0.364 -4.935 1.00 0.00 H new ATOM 0 HB ILE A 32 1.996 -0.173 -2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.467 -0.389 -2.349 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.722 -1.729 -1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.378 -2.531 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.437 -1.447 -3.376 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.777 -2.402 -4.053 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.314 -2.550 -3.207 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.655 -3.048 -3.614 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.412 -1.687 -4.476 1.00 0.00 H new ATOM 452 N LEU A 33 0.321 0.602 -5.027 1.00 0.00 N ATOM 453 CA LEU A 33 -0.918 1.311 -5.297 1.00 0.00 C ATOM 454 C LEU A 33 -2.071 0.609 -4.577 1.00 0.00 C ATOM 455 O LEU A 33 -2.262 -0.596 -4.733 1.00 0.00 O ATOM 456 CB LEU A 33 -1.133 1.459 -6.805 1.00 0.00 C ATOM 457 CG LEU A 33 -1.482 2.864 -7.298 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.674 3.435 -6.528 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.263 3.787 -7.234 1.00 0.00 C ATOM 0 H LEU A 33 0.404 -0.303 -5.491 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.869 2.327 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.227 1.131 -7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.932 0.781 -7.106 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.778 2.794 -8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.901 4.435 -6.898 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.541 2.790 -6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.430 3.488 -5.467 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.539 4.779 -7.590 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.088 3.856 -6.204 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.532 3.384 -7.862 1.00 0.00 H new ATOM 471 N ILE A 34 -2.809 1.392 -3.805 1.00 0.00 N ATOM 472 CA ILE A 34 -3.938 0.860 -3.061 1.00 0.00 C ATOM 473 C ILE A 34 -5.238 1.252 -3.766 1.00 0.00 C ATOM 474 O ILE A 34 -5.668 2.401 -3.688 1.00 0.00 O ATOM 475 CB ILE A 34 -3.873 1.306 -1.598 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.497 1.014 -0.997 1.00 0.00 C ATOM 477 CG2 ILE A 34 -5.002 0.672 -0.782 1.00 0.00 C ATOM 478 CD1 ILE A 34 -2.071 -0.429 -1.275 1.00 0.00 C ATOM 0 H ILE A 34 -2.647 2.391 -3.678 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.902 -0.229 -3.041 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.017 2.386 -1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.761 1.701 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.522 1.189 0.079 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.934 1.005 0.254 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.964 0.973 -1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.914 -0.414 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.089 -0.609 -0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.796 -1.114 -0.835 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.023 -0.593 -2.351 1.00 0.00 H new ATOM 490 N LEU A 35 -5.827 0.273 -4.438 1.00 0.00 N ATOM 491 CA LEU A 35 -7.069 0.501 -5.156 1.00 0.00 C ATOM 492 C LEU A 35 -8.229 0.550 -4.159 1.00 0.00 C ATOM 493 O LEU A 35 -8.849 1.596 -3.973 1.00 0.00 O ATOM 494 CB LEU A 35 -7.250 -0.544 -6.258 1.00 0.00 C ATOM 495 CG LEU A 35 -6.227 -0.504 -7.395 1.00 0.00 C ATOM 496 CD1 LEU A 35 -6.005 0.929 -7.883 1.00 0.00 C ATOM 497 CD2 LEU A 35 -4.917 -1.177 -6.978 1.00 0.00 C ATOM 0 H LEU A 35 -5.467 -0.679 -4.500 1.00 0.00 H new ATOM 0 HA LEU A 35 -7.044 1.465 -5.663 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.218 -1.533 -5.802 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -8.245 -0.423 -6.687 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.628 -1.072 -8.235 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -5.274 0.929 -8.691 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.947 1.340 -8.246 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.636 1.541 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.207 -1.135 -7.804 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.500 -0.658 -6.115 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -5.109 -2.218 -6.718 1.00 0.00 H new ATOM 509 N ARG A 36 -8.486 -0.595 -3.543 1.00 0.00 N ATOM 510 CA ARG A 36 -9.560 -0.696 -2.569 1.00 0.00 C ATOM 511 C ARG A 36 -9.035 -1.287 -1.260 1.00 0.00 C ATOM 512 O ARG A 36 -7.931 -1.829 -1.217 1.00 0.00 O ATOM 513 CB ARG A 36 -10.700 -1.570 -3.095 1.00 0.00 C ATOM 514 CG ARG A 36 -11.327 -0.958 -4.349 1.00 0.00 C ATOM 515 CD ARG A 36 -12.853 -0.935 -4.244 1.00 0.00 C ATOM 516 NE ARG A 36 -13.456 -1.187 -5.572 1.00 0.00 N ATOM 517 CZ ARG A 36 -13.679 -0.235 -6.488 1.00 0.00 C ATOM 518 NH1 ARG A 36 -13.350 1.037 -6.226 1.00 0.00 N ATOM 519 NH2 ARG A 36 -14.230 -0.556 -7.667 1.00 0.00 N ATOM 0 H ARG A 36 -7.969 -1.460 -3.699 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.941 0.309 -2.390 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.323 -2.567 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -11.461 -1.685 -2.323 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.953 0.056 -4.489 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.028 -1.532 -5.226 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.188 -1.691 -3.534 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.185 0.030 -3.862 1.00 0.00 H new ATOM 0 HE ARG A 36 -13.718 -2.145 -5.804 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.930 1.281 -5.329 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.520 1.762 -6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.479 -1.525 -7.867 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.400 0.168 -8.365 1.00 0.00 H new ATOM 533 N GLN A 37 -9.850 -1.163 -0.223 1.00 0.00 N ATOM 534 CA GLN A 37 -9.482 -1.679 1.085 1.00 0.00 C ATOM 535 C GLN A 37 -10.207 -2.998 1.359 1.00 0.00 C ATOM 536 O GLN A 37 -9.678 -3.870 2.047 1.00 0.00 O ATOM 537 CB GLN A 37 -9.776 -0.654 2.182 1.00 0.00 C ATOM 538 CG GLN A 37 -8.776 0.503 2.134 1.00 0.00 C ATOM 539 CD GLN A 37 -9.156 1.598 3.132 1.00 0.00 C ATOM 540 OE1 GLN A 37 -8.973 1.472 4.332 1.00 0.00 O ATOM 541 NE2 GLN A 37 -9.694 2.678 2.571 1.00 0.00 N ATOM 0 H GLN A 37 -10.764 -0.713 -0.262 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.409 -1.869 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.789 -0.269 2.063 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.731 -1.138 3.158 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.775 0.133 2.358 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.744 0.919 1.127 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.819 2.719 1.560 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.981 3.465 3.152 1.00 0.00 H new ATOM 550 N THR A 38 -11.406 -3.103 0.806 1.00 0.00 N ATOM 551 CA THR A 38 -12.209 -4.301 0.982 1.00 0.00 C ATOM 552 C THR A 38 -12.629 -4.452 2.445 1.00 0.00 C ATOM 553 O THR A 38 -13.801 -4.282 2.779 1.00 0.00 O ATOM 554 CB THR A 38 -11.404 -5.491 0.456 1.00 0.00 C ATOM 555 OG1 THR A 38 -11.008 -5.091 -0.853 1.00 0.00 O ATOM 556 CG2 THR A 38 -12.274 -6.728 0.220 1.00 0.00 C ATOM 0 H THR A 38 -11.841 -2.378 0.236 1.00 0.00 H new ATOM 0 HA THR A 38 -13.138 -4.241 0.414 1.00 0.00 H new ATOM 0 HB THR A 38 -10.611 -5.734 1.164 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.479 -5.804 -1.267 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.654 -7.543 -0.153 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.742 -7.028 1.158 1.00 0.00 H new ATOM 0 HG23 THR A 38 -13.046 -6.495 -0.513 1.00 0.00 H new ATOM 564 N THR A 39 -11.650 -4.768 3.280 1.00 0.00 N ATOM 565 CA THR A 39 -11.904 -4.943 4.700 1.00 0.00 C ATOM 566 C THR A 39 -11.161 -3.878 5.509 1.00 0.00 C ATOM 567 O THR A 39 -11.752 -2.879 5.916 1.00 0.00 O ATOM 568 CB THR A 39 -11.514 -6.374 5.077 1.00 0.00 C ATOM 569 OG1 THR A 39 -10.335 -6.624 4.318 1.00 0.00 O ATOM 570 CG2 THR A 39 -12.516 -7.409 4.561 1.00 0.00 C ATOM 0 H THR A 39 -10.679 -4.907 3.000 1.00 0.00 H new ATOM 0 HA THR A 39 -12.960 -4.806 4.933 1.00 0.00 H new ATOM 0 HB THR A 39 -11.434 -6.455 6.161 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.013 -7.531 4.503 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.192 -8.407 4.856 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.499 -7.206 4.985 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.571 -7.352 3.474 1.00 0.00 H new ATOM 578 N ALA A 40 -9.877 -4.128 5.719 1.00 0.00 N ATOM 579 CA ALA A 40 -9.048 -3.203 6.472 1.00 0.00 C ATOM 580 C ALA A 40 -7.644 -3.792 6.625 1.00 0.00 C ATOM 581 O ALA A 40 -6.650 -3.096 6.425 1.00 0.00 O ATOM 582 CB ALA A 40 -9.707 -2.909 7.821 1.00 0.00 C ATOM 0 H ALA A 40 -9.391 -4.958 5.381 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.952 -2.255 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.085 -2.215 8.386 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.689 -2.465 7.657 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.817 -3.837 8.382 1.00 0.00 H new ATOM 588 N ASP A 41 -7.608 -5.068 6.979 1.00 0.00 N ATOM 589 CA ASP A 41 -6.342 -5.759 7.161 1.00 0.00 C ATOM 590 C ASP A 41 -5.800 -6.189 5.797 1.00 0.00 C ATOM 591 O ASP A 41 -4.588 -6.236 5.593 1.00 0.00 O ATOM 592 CB ASP A 41 -6.518 -7.014 8.018 1.00 0.00 C ATOM 593 CG ASP A 41 -6.200 -6.833 9.503 1.00 0.00 C ATOM 594 OD1 ASP A 41 -6.907 -6.022 10.140 1.00 0.00 O ATOM 595 OD2 ASP A 41 -5.258 -7.509 9.969 1.00 0.00 O ATOM 0 H ASP A 41 -8.435 -5.642 7.145 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.654 -5.076 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.547 -7.360 7.922 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -5.879 -7.801 7.618 1.00 0.00 H new ATOM 600 N TRP A 42 -6.725 -6.493 4.897 1.00 0.00 N ATOM 601 CA TRP A 42 -6.355 -6.918 3.558 1.00 0.00 C ATOM 602 C TRP A 42 -6.797 -5.830 2.577 1.00 0.00 C ATOM 603 O TRP A 42 -7.972 -5.471 2.531 1.00 0.00 O ATOM 604 CB TRP A 42 -6.948 -8.291 3.235 1.00 0.00 C ATOM 605 CG TRP A 42 -6.279 -9.449 3.979 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.598 -9.951 5.180 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.159 -10.233 3.520 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.768 -10.997 5.527 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.865 -11.174 4.485 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.417 -10.150 2.328 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.826 -12.104 4.359 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.382 -11.086 2.217 1.00 0.00 C ATOM 613 CH2 TRP A 42 -3.074 -12.040 3.180 1.00 0.00 C ATOM 0 H TRP A 42 -7.730 -6.453 5.070 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.275 -7.041 3.477 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -8.011 -8.283 3.478 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.867 -8.467 2.162 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.403 -9.583 5.798 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -5.809 -11.540 6.389 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.629 -9.422 1.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.616 -12.831 5.129 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.781 -11.065 1.320 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.258 -12.729 3.019 1.00 0.00 H new ATOM 624 N TRP A 43 -5.831 -5.335 1.818 1.00 0.00 N ATOM 625 CA TRP A 43 -6.105 -4.295 0.841 1.00 0.00 C ATOM 626 C TRP A 43 -5.893 -4.888 -0.554 1.00 0.00 C ATOM 627 O TRP A 43 -5.242 -5.922 -0.700 1.00 0.00 O ATOM 628 CB TRP A 43 -5.245 -3.057 1.101 1.00 0.00 C ATOM 629 CG TRP A 43 -5.599 -2.313 2.390 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.552 -2.616 3.283 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.962 -1.122 2.898 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.575 -1.712 4.324 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.578 -0.774 4.083 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.901 -0.363 2.373 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -5.203 0.340 4.843 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.539 0.747 3.145 1.00 0.00 C ATOM 637 CH2 TRP A 43 -4.148 1.111 4.340 1.00 0.00 C ATOM 0 H TRP A 43 -4.857 -5.635 1.860 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.137 -3.954 0.921 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.198 -3.357 1.143 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.347 -2.373 0.259 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.218 -3.462 3.198 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.208 -1.729 5.124 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.405 -0.616 1.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.701 0.591 5.768 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.729 1.365 2.787 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.809 1.984 4.878 1.00 0.00 H new ATOM 648 N TRP A 44 -6.454 -4.209 -1.543 1.00 0.00 N ATOM 649 CA TRP A 44 -6.335 -4.656 -2.920 1.00 0.00 C ATOM 650 C TRP A 44 -5.458 -3.649 -3.669 1.00 0.00 C ATOM 651 O TRP A 44 -5.841 -2.493 -3.839 1.00 0.00 O ATOM 652 CB TRP A 44 -7.713 -4.840 -3.559 1.00 0.00 C ATOM 653 CG TRP A 44 -7.668 -5.150 -5.056 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.908 -4.317 -6.079 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.353 -6.421 -5.662 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.772 -4.957 -7.294 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.424 -6.277 -7.033 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.020 -7.653 -5.071 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.174 -7.324 -7.928 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -6.774 -8.689 -5.979 1.00 0.00 C ATOM 661 CH2 TRP A 44 -6.840 -8.560 -7.362 1.00 0.00 C ATOM 0 H TRP A 44 -6.993 -3.352 -1.418 1.00 0.00 H new ATOM 0 HA TRP A 44 -5.860 -5.636 -2.968 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.235 -5.648 -3.047 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.298 -3.934 -3.403 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.174 -3.276 -5.966 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.903 -4.538 -8.215 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.959 -7.789 -4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.235 -7.186 -8.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.515 -9.657 -5.577 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.635 -9.409 -7.997 1.00 0.00 H new ATOM 672 N GLY A 45 -4.298 -4.126 -4.096 1.00 0.00 N ATOM 673 CA GLY A 45 -3.364 -3.283 -4.823 1.00 0.00 C ATOM 674 C GLY A 45 -3.256 -3.718 -6.286 1.00 0.00 C ATOM 675 O GLY A 45 -4.042 -4.542 -6.752 1.00 0.00 O ATOM 0 H GLY A 45 -3.984 -5.086 -3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.691 -2.244 -4.772 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.382 -3.332 -4.352 1.00 0.00 H new ATOM 679 N GLU A 46 -2.277 -3.146 -6.969 1.00 0.00 N ATOM 680 CA GLU A 46 -2.055 -3.464 -8.370 1.00 0.00 C ATOM 681 C GLU A 46 -0.574 -3.315 -8.721 1.00 0.00 C ATOM 682 O GLU A 46 -0.003 -2.235 -8.572 1.00 0.00 O ATOM 683 CB GLU A 46 -2.924 -2.589 -9.275 1.00 0.00 C ATOM 684 CG GLU A 46 -2.664 -2.898 -10.751 1.00 0.00 C ATOM 685 CD GLU A 46 -3.410 -1.917 -11.657 1.00 0.00 C ATOM 686 OE1 GLU A 46 -4.601 -1.670 -11.367 1.00 0.00 O ATOM 687 OE2 GLU A 46 -2.773 -1.435 -12.618 1.00 0.00 O ATOM 0 H GLU A 46 -1.627 -2.463 -6.579 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.344 -4.502 -8.537 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.977 -2.755 -9.045 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.716 -1.537 -9.078 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.594 -2.845 -10.954 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.980 -3.917 -10.974 1.00 0.00 H new ATOM 694 N ARG A 47 0.007 -4.414 -9.179 1.00 0.00 N ATOM 695 CA ARG A 47 1.411 -4.418 -9.552 1.00 0.00 C ATOM 696 C ARG A 47 1.566 -4.106 -11.042 1.00 0.00 C ATOM 697 O ARG A 47 0.592 -3.768 -11.714 1.00 0.00 O ATOM 698 CB ARG A 47 2.056 -5.773 -9.253 1.00 0.00 C ATOM 699 CG ARG A 47 2.750 -5.760 -7.889 1.00 0.00 C ATOM 700 CD ARG A 47 4.164 -5.186 -7.999 1.00 0.00 C ATOM 701 NE ARG A 47 5.146 -6.148 -7.450 1.00 0.00 N ATOM 702 CZ ARG A 47 5.646 -7.185 -8.136 1.00 0.00 C ATOM 703 NH1 ARG A 47 5.260 -7.400 -9.401 1.00 0.00 N ATOM 704 NH2 ARG A 47 6.532 -8.006 -7.557 1.00 0.00 N ATOM 0 H ARG A 47 -0.469 -5.308 -9.300 1.00 0.00 H new ATOM 0 HA ARG A 47 1.913 -3.651 -8.962 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.296 -6.554 -9.271 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.780 -6.015 -10.031 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.166 -5.166 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.795 -6.773 -7.490 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.398 -4.971 -9.042 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.225 -4.242 -7.457 1.00 0.00 H new ATOM 0 HE ARG A 47 5.462 -6.013 -6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.586 -6.774 -9.842 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.641 -8.189 -9.923 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.826 -7.842 -6.594 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.913 -8.795 -8.079 1.00 0.00 H new ATOM 718 N ALA A 48 2.797 -4.230 -11.516 1.00 0.00 N ATOM 719 CA ALA A 48 3.091 -3.965 -12.914 1.00 0.00 C ATOM 720 C ALA A 48 2.333 -4.964 -13.789 1.00 0.00 C ATOM 721 O ALA A 48 2.735 -6.121 -13.907 1.00 0.00 O ATOM 722 CB ALA A 48 4.604 -4.024 -13.137 1.00 0.00 C ATOM 0 H ALA A 48 3.602 -4.511 -10.957 1.00 0.00 H new ATOM 0 HA ALA A 48 2.759 -2.965 -13.193 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.825 -3.825 -14.186 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.093 -3.275 -12.515 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.973 -5.014 -12.870 1.00 0.00 H new ATOM 728 N GLY A 49 1.249 -4.482 -14.379 1.00 0.00 N ATOM 729 CA GLY A 49 0.430 -5.320 -15.239 1.00 0.00 C ATOM 730 C GLY A 49 -0.171 -6.488 -14.456 1.00 0.00 C ATOM 731 O GLY A 49 -0.767 -7.391 -15.041 1.00 0.00 O ATOM 0 H GLY A 49 0.919 -3.522 -14.279 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.369 -4.724 -15.680 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.034 -5.702 -16.062 1.00 0.00 H new ATOM 735 N CYS A 50 0.006 -6.433 -13.144 1.00 0.00 N ATOM 736 CA CYS A 50 -0.512 -7.476 -12.275 1.00 0.00 C ATOM 737 C CYS A 50 -1.584 -6.862 -11.374 1.00 0.00 C ATOM 738 O CYS A 50 -1.646 -5.643 -11.218 1.00 0.00 O ATOM 739 CB CYS A 50 0.602 -8.141 -11.464 1.00 0.00 C ATOM 740 SG CYS A 50 1.168 -9.663 -12.308 1.00 0.00 S ATOM 0 H CYS A 50 0.501 -5.683 -12.662 1.00 0.00 H new ATOM 0 HA CYS A 50 -0.956 -8.268 -12.878 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.437 -7.451 -11.343 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.241 -8.383 -10.464 1.00 0.00 H new ATOM 0 HG CYS A 50 2.115 -10.218 -11.612 1.00 0.00 H new ATOM 746 N CYS A 51 -2.403 -7.733 -10.803 1.00 0.00 N ATOM 747 CA CYS A 51 -3.470 -7.291 -9.922 1.00 0.00 C ATOM 748 C CYS A 51 -3.703 -8.376 -8.868 1.00 0.00 C ATOM 749 O CYS A 51 -4.169 -9.469 -9.189 1.00 0.00 O ATOM 750 CB CYS A 51 -4.748 -6.967 -10.699 1.00 0.00 C ATOM 751 SG CYS A 51 -5.205 -8.378 -11.770 1.00 0.00 S ATOM 0 H CYS A 51 -2.349 -8.743 -10.934 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.178 -6.364 -9.430 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.560 -6.749 -10.005 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.598 -6.074 -11.305 1.00 0.00 H new ATOM 0 HG CYS A 51 -5.044 -9.490 -11.115 1.00 0.00 H new ATOM 757 N GLY A 52 -3.368 -8.037 -7.632 1.00 0.00 N ATOM 758 CA GLY A 52 -3.535 -8.968 -6.529 1.00 0.00 C ATOM 759 C GLY A 52 -3.845 -8.227 -5.227 1.00 0.00 C ATOM 760 O GLY A 52 -3.980 -7.004 -5.222 1.00 0.00 O ATOM 0 H GLY A 52 -2.982 -7.130 -7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.342 -9.665 -6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.628 -9.560 -6.408 1.00 0.00 H new ATOM 764 N TYR A 53 -3.949 -8.998 -4.155 1.00 0.00 N ATOM 765 CA TYR A 53 -4.241 -8.430 -2.850 1.00 0.00 C ATOM 766 C TYR A 53 -2.952 -8.088 -2.100 1.00 0.00 C ATOM 767 O TYR A 53 -1.884 -8.605 -2.426 1.00 0.00 O ATOM 768 CB TYR A 53 -4.995 -9.514 -2.077 1.00 0.00 C ATOM 769 CG TYR A 53 -6.511 -9.478 -2.274 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.298 -8.711 -1.439 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.093 -10.213 -3.287 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.726 -8.677 -1.624 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.521 -10.180 -3.472 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.266 -9.413 -2.632 1.00 0.00 C ATOM 775 OH TYR A 53 -10.615 -9.382 -2.807 1.00 0.00 O ATOM 0 H TYR A 53 -3.836 -10.012 -4.163 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.819 -7.511 -2.952 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.622 -10.491 -2.384 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.774 -9.408 -1.015 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.843 -8.136 -0.646 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.478 -10.813 -3.941 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -9.353 -8.081 -0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -8.989 -10.751 -4.260 1.00 0.00 H new ATOM 0 HH TYR A 53 -10.860 -9.954 -3.564 1.00 0.00 H new ATOM 785 N ILE A 54 -3.094 -7.219 -1.110 1.00 0.00 N ATOM 786 CA ILE A 54 -1.954 -6.802 -0.311 1.00 0.00 C ATOM 787 C ILE A 54 -2.396 -6.614 1.141 1.00 0.00 C ATOM 788 O ILE A 54 -3.528 -6.211 1.402 1.00 0.00 O ATOM 789 CB ILE A 54 -1.298 -5.561 -0.920 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.353 -4.586 -1.447 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.286 -5.949 -2.000 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.732 -3.223 -1.760 1.00 0.00 C ATOM 0 H ILE A 54 -3.981 -6.792 -0.843 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.185 -7.574 -0.313 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.747 -5.045 -0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.814 -4.995 -2.346 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.145 -4.468 -0.708 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.165 -5.048 -2.416 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.491 -6.575 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.793 -6.500 -2.792 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.503 -2.549 -2.133 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.293 -2.806 -0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.957 -3.342 -2.517 1.00 0.00 H new ATOM 804 N PRO A 55 -1.455 -6.924 2.073 1.00 0.00 N ATOM 805 CA PRO A 55 -1.736 -6.793 3.493 1.00 0.00 C ATOM 806 C PRO A 55 -1.726 -5.324 3.921 1.00 0.00 C ATOM 807 O PRO A 55 -1.227 -4.466 3.195 1.00 0.00 O ATOM 808 CB PRO A 55 -0.664 -7.620 4.184 1.00 0.00 C ATOM 809 CG PRO A 55 0.446 -7.802 3.161 1.00 0.00 C ATOM 810 CD PRO A 55 -0.103 -7.405 1.801 1.00 0.00 C ATOM 0 HA PRO A 55 -2.730 -7.151 3.760 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.294 -7.114 5.076 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.060 -8.583 4.506 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.308 -7.186 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.787 -8.837 3.148 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.508 -6.630 1.338 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.115 -8.253 1.116 1.00 0.00 H new ATOM 818 N ALA A 56 -2.283 -5.080 5.098 1.00 0.00 N ATOM 819 CA ALA A 56 -2.344 -3.730 5.631 1.00 0.00 C ATOM 820 C ALA A 56 -1.406 -3.619 6.835 1.00 0.00 C ATOM 821 O ALA A 56 -1.843 -3.727 7.979 1.00 0.00 O ATOM 822 CB ALA A 56 -3.792 -3.387 5.987 1.00 0.00 C ATOM 0 H ALA A 56 -2.696 -5.794 5.697 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.011 -3.008 4.886 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.838 -2.374 6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.412 -3.453 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.159 -4.090 6.735 1.00 0.00 H new ATOM 828 N ASN A 57 -0.133 -3.404 6.535 1.00 0.00 N ATOM 829 CA ASN A 57 0.870 -3.276 7.577 1.00 0.00 C ATOM 830 C ASN A 57 2.248 -3.106 6.935 1.00 0.00 C ATOM 831 O ASN A 57 3.068 -2.325 7.415 1.00 0.00 O ATOM 832 CB ASN A 57 0.911 -4.526 8.459 1.00 0.00 C ATOM 833 CG ASN A 57 1.757 -4.287 9.711 1.00 0.00 C ATOM 834 OD1 ASN A 57 1.501 -3.397 10.504 1.00 0.00 O ATOM 835 ND2 ASN A 57 2.778 -5.130 9.843 1.00 0.00 N ATOM 0 H ASN A 57 0.226 -3.315 5.584 1.00 0.00 H new ATOM 0 HA ASN A 57 0.612 -2.411 8.188 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.102 -4.804 8.748 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.322 -5.362 7.892 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.403 -5.053 10.646 1.00 0.00 H new ATOM 0 HD22 ASN A 57 2.936 -5.853 9.142 1.00 0.00 H new ATOM 842 N HIS A 58 2.460 -3.849 5.859 1.00 0.00 N ATOM 843 CA HIS A 58 3.725 -3.790 5.146 1.00 0.00 C ATOM 844 C HIS A 58 3.876 -2.420 4.482 1.00 0.00 C ATOM 845 O HIS A 58 4.992 -1.961 4.244 1.00 0.00 O ATOM 846 CB HIS A 58 3.843 -4.947 4.152 1.00 0.00 C ATOM 847 CG HIS A 58 4.588 -6.145 4.689 1.00 0.00 C ATOM 848 ND1 HIS A 58 5.969 -6.193 4.773 1.00 0.00 N ATOM 849 CD2 HIS A 58 4.131 -7.337 5.170 1.00 0.00 C ATOM 850 CE1 HIS A 58 6.316 -7.366 5.282 1.00 0.00 C ATOM 851 NE2 HIS A 58 5.176 -8.074 5.527 1.00 0.00 N ATOM 0 H HIS A 58 1.777 -4.495 5.463 1.00 0.00 H new ATOM 0 HA HIS A 58 4.549 -3.907 5.850 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.842 -5.259 3.853 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.348 -4.591 3.254 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.095 -7.631 5.247 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.325 -7.703 5.470 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.133 -9.014 5.920 1.00 0.00 H new ATOM 859 N VAL A 59 2.736 -1.806 4.200 1.00 0.00 N ATOM 860 CA VAL A 59 2.727 -0.497 3.568 1.00 0.00 C ATOM 861 C VAL A 59 2.239 0.547 4.574 1.00 0.00 C ATOM 862 O VAL A 59 1.371 0.263 5.397 1.00 0.00 O ATOM 863 CB VAL A 59 1.884 -0.538 2.292 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.601 -1.315 1.186 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.500 -1.129 2.568 1.00 0.00 C ATOM 0 H VAL A 59 1.812 -2.191 4.397 1.00 0.00 H new ATOM 0 HA VAL A 59 3.735 -0.211 3.267 1.00 0.00 H new ATOM 0 HB VAL A 59 1.748 0.487 1.947 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.980 -1.329 0.290 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.552 -0.833 0.961 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.782 -2.337 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.079 -1.147 1.645 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.607 -2.145 2.948 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.016 -0.517 3.308 1.00 0.00 H new ATOM 875 N GLY A 60 2.819 1.734 4.474 1.00 0.00 N ATOM 876 CA GLY A 60 2.454 2.823 5.365 1.00 0.00 C ATOM 877 C GLY A 60 2.421 4.156 4.616 1.00 0.00 C ATOM 878 O GLY A 60 1.399 4.521 4.036 1.00 0.00 O ATOM 0 H GLY A 60 3.539 1.966 3.790 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.477 2.625 5.806 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.168 2.881 6.186 1.00 0.00 H new ATOM 882 N LYS A 61 3.551 4.848 4.653 1.00 0.00 N ATOM 883 CA LYS A 61 3.664 6.133 3.985 1.00 0.00 C ATOM 884 C LYS A 61 2.683 7.121 4.620 1.00 0.00 C ATOM 885 O LYS A 61 1.497 7.122 4.292 1.00 0.00 O ATOM 886 CB LYS A 61 3.481 5.970 2.475 1.00 0.00 C ATOM 887 CG LYS A 61 3.534 7.325 1.767 1.00 0.00 C ATOM 888 CD LYS A 61 4.470 7.275 0.557 1.00 0.00 C ATOM 889 CE LYS A 61 4.007 8.243 -0.534 1.00 0.00 C ATOM 890 NZ LYS A 61 4.129 7.615 -1.869 1.00 0.00 N ATOM 0 H LYS A 61 4.396 4.542 5.135 1.00 0.00 H new ATOM 0 HA LYS A 61 4.664 6.545 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.260 5.318 2.079 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.526 5.486 2.271 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.533 7.611 1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 61 3.875 8.090 2.464 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.484 7.528 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.502 6.261 0.159 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.972 8.534 -0.355 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.605 9.154 -0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.212 8.355 -2.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.975 7.010 -1.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.285 7.037 -2.059 1.00 0.00 H new ATOM 904 N HIS A 62 3.214 7.938 5.518 1.00 0.00 N ATOM 905 CA HIS A 62 2.400 8.929 6.202 1.00 0.00 C ATOM 906 C HIS A 62 3.301 10.013 6.794 1.00 0.00 C ATOM 907 O HIS A 62 4.469 9.762 7.089 1.00 0.00 O ATOM 908 CB HIS A 62 1.503 8.266 7.249 1.00 0.00 C ATOM 909 CG HIS A 62 2.253 7.700 8.431 1.00 0.00 C ATOM 910 ND1 HIS A 62 3.375 6.901 8.294 1.00 0.00 N ATOM 911 CD2 HIS A 62 2.032 7.827 9.771 1.00 0.00 C ATOM 912 CE1 HIS A 62 3.801 6.567 9.503 1.00 0.00 C ATOM 913 NE2 HIS A 62 2.967 7.142 10.417 1.00 0.00 N ATOM 0 H HIS A 62 4.198 7.934 5.788 1.00 0.00 H new ATOM 0 HA HIS A 62 1.732 9.411 5.489 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.779 8.998 7.608 1.00 0.00 H new ATOM 0 HB3 HIS A 62 0.938 7.465 6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 62 1.232 8.390 10.229 1.00 0.00 H new ATOM 0 HE1 HIS A 62 4.658 5.948 9.726 1.00 0.00 H new ATOM 0 HE2 HIS A 62 3.049 7.059 11.430 1.00 0.00 H new ATOM 921 N SER A 63 2.726 11.196 6.951 1.00 0.00 N ATOM 922 CA SER A 63 3.463 12.320 7.504 1.00 0.00 C ATOM 923 C SER A 63 4.294 11.862 8.704 1.00 0.00 C ATOM 924 O SER A 63 3.895 10.951 9.428 1.00 0.00 O ATOM 925 CB SER A 63 2.517 13.451 7.913 1.00 0.00 C ATOM 926 OG SER A 63 2.599 14.563 7.026 1.00 0.00 O ATOM 0 H SER A 63 1.758 11.401 6.705 1.00 0.00 H new ATOM 0 HA SER A 63 4.132 12.703 6.733 1.00 0.00 H new ATOM 0 HB2 SER A 63 1.493 13.078 7.933 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.757 13.776 8.925 1.00 0.00 H new ATOM 0 HG SER A 63 1.979 15.263 7.320 1.00 0.00 H new ATOM 932 N GLY A 64 5.434 12.514 8.877 1.00 0.00 N ATOM 933 CA GLY A 64 6.324 12.185 9.977 1.00 0.00 C ATOM 934 C GLY A 64 7.321 13.317 10.233 1.00 0.00 C ATOM 935 O GLY A 64 7.560 14.148 9.359 1.00 0.00 O ATOM 0 H GLY A 64 5.762 13.268 8.274 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.740 11.999 10.879 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.863 11.265 9.751 1.00 0.00 H new ATOM 939 N PRO A 65 7.890 13.314 11.469 1.00 0.00 N ATOM 940 CA PRO A 65 8.855 14.330 11.851 1.00 0.00 C ATOM 941 C PRO A 65 10.210 14.077 11.188 1.00 0.00 C ATOM 942 O PRO A 65 10.688 12.943 11.156 1.00 0.00 O ATOM 943 CB PRO A 65 8.915 14.265 13.368 1.00 0.00 C ATOM 944 CG PRO A 65 8.337 12.912 13.750 1.00 0.00 C ATOM 945 CD PRO A 65 7.631 12.345 12.530 1.00 0.00 C ATOM 0 HA PRO A 65 8.568 15.328 11.519 1.00 0.00 H new ATOM 0 HB2 PRO A 65 9.941 14.366 13.723 1.00 0.00 H new ATOM 0 HB3 PRO A 65 8.341 15.076 13.817 1.00 0.00 H new ATOM 0 HG2 PRO A 65 9.128 12.239 14.080 1.00 0.00 H new ATOM 0 HG3 PRO A 65 7.639 13.016 14.581 1.00 0.00 H new ATOM 0 HD2 PRO A 65 8.019 11.360 12.270 1.00 0.00 H new ATOM 0 HD3 PRO A 65 6.562 12.230 12.709 1.00 0.00 H new ATOM 953 N SER A 66 10.792 15.150 10.674 1.00 0.00 N ATOM 954 CA SER A 66 12.083 15.059 10.014 1.00 0.00 C ATOM 955 C SER A 66 12.972 16.230 10.437 1.00 0.00 C ATOM 956 O SER A 66 12.472 17.273 10.856 1.00 0.00 O ATOM 957 CB SER A 66 11.923 15.036 8.493 1.00 0.00 C ATOM 958 OG SER A 66 13.171 15.193 7.822 1.00 0.00 O ATOM 0 H SER A 66 10.393 16.088 10.701 1.00 0.00 H new ATOM 0 HA SER A 66 12.556 14.125 10.317 1.00 0.00 H new ATOM 0 HB2 SER A 66 11.465 14.094 8.191 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.245 15.833 8.188 1.00 0.00 H new ATOM 0 HG SER A 66 13.026 15.171 6.853 1.00 0.00 H new ATOM 964 N SER A 67 14.274 16.018 10.312 1.00 0.00 N ATOM 965 CA SER A 67 15.237 17.044 10.676 1.00 0.00 C ATOM 966 C SER A 67 15.961 17.549 9.427 1.00 0.00 C ATOM 967 O SER A 67 16.043 16.841 8.424 1.00 0.00 O ATOM 968 CB SER A 67 16.246 16.515 11.697 1.00 0.00 C ATOM 969 OG SER A 67 15.635 16.230 12.953 1.00 0.00 O ATOM 0 H SER A 67 14.685 15.152 9.964 1.00 0.00 H new ATOM 0 HA SER A 67 14.697 17.872 11.135 1.00 0.00 H new ATOM 0 HB2 SER A 67 16.715 15.611 11.308 1.00 0.00 H new ATOM 0 HB3 SER A 67 17.039 17.250 11.838 1.00 0.00 H new ATOM 0 HG SER A 67 16.311 15.893 13.577 1.00 0.00 H new ATOM 975 N GLY A 68 16.469 18.769 9.528 1.00 0.00 N ATOM 976 CA GLY A 68 17.183 19.376 8.418 1.00 0.00 C ATOM 977 C GLY A 68 18.295 20.299 8.922 1.00 0.00 C ATOM 978 O GLY A 68 19.273 20.541 8.216 1.00 0.00 O ATOM 0 H GLY A 68 16.400 19.353 10.361 1.00 0.00 H new ATOM 0 HA2 GLY A 68 17.610 18.597 7.786 1.00 0.00 H new ATOM 0 HA3 GLY A 68 16.487 19.943 7.799 1.00 0.00 H new TER 982 GLY A 68