USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=18 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 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 66 SER OG : rot 140:sc= 0 USER MOD Set 2.1: A 16 TYR OH : rot 112:sc= 0.531 USER MOD Set 2.2: A 23 GLN : amide:sc= -0.0088 K(o=0.52,f=-6.3!) USER MOD Single : A 1 GLY N :NH3+ -107:sc= 0.0399 (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 35:sc= 0.00669 USER MOD Single : A 37 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 38 THR OG1 : rot -170:sc= -0.182 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0464 USER MOD Single : A 50 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot -16:sc= -2.21! USER MOD Single : A 53 TYR OH : rot -90:sc= -2.99! USER MOD Single : A 57 ASN : amide:sc= -0.353 K(o=-0.35,f=-2.1!) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=-0.0034) USER MOD Single : A 61 LYS NZ :NH3+ -130:sc= 0.29 (180deg=0) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.282 15.011 -14.487 1.00 0.00 N ATOM 2 CA GLY A 1 -14.066 15.572 -13.922 1.00 0.00 C ATOM 3 C GLY A 1 -13.943 15.230 -12.436 1.00 0.00 C ATOM 4 O GLY A 1 -14.950 15.055 -11.750 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.041 14.203 -15.096 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.906 14.691 -13.719 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.770 15.736 -15.050 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.200 15.187 -14.460 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.067 16.654 -14.051 1.00 0.00 H new ATOM 8 N SER A 2 -12.702 15.146 -11.981 1.00 0.00 N ATOM 9 CA SER A 2 -12.435 14.829 -10.589 1.00 0.00 C ATOM 10 C SER A 2 -13.022 13.459 -10.242 1.00 0.00 C ATOM 11 O SER A 2 -13.986 13.017 -10.865 1.00 0.00 O ATOM 12 CB SER A 2 -13.006 15.902 -9.660 1.00 0.00 C ATOM 13 OG SER A 2 -12.179 17.061 -9.611 1.00 0.00 O ATOM 0 H SER A 2 -11.870 15.292 -12.552 1.00 0.00 H new ATOM 0 HA SER A 2 -11.355 14.801 -10.446 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.003 16.182 -10.000 1.00 0.00 H new ATOM 0 HB3 SER A 2 -13.115 15.492 -8.656 1.00 0.00 H new ATOM 0 HG SER A 2 -12.579 17.723 -9.009 1.00 0.00 H new ATOM 19 N SER A 3 -12.417 12.825 -9.249 1.00 0.00 N ATOM 20 CA SER A 3 -12.868 11.515 -8.812 1.00 0.00 C ATOM 21 C SER A 3 -12.813 10.527 -9.978 1.00 0.00 C ATOM 22 O SER A 3 -12.675 10.930 -11.132 1.00 0.00 O ATOM 23 CB SER A 3 -14.285 11.583 -8.240 1.00 0.00 C ATOM 24 OG SER A 3 -14.297 11.425 -6.823 1.00 0.00 O ATOM 0 H SER A 3 -11.618 13.194 -8.734 1.00 0.00 H new ATOM 0 HA SER A 3 -12.202 11.170 -8.021 1.00 0.00 H new ATOM 0 HB2 SER A 3 -14.736 12.540 -8.502 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.898 10.806 -8.697 1.00 0.00 H new ATOM 0 HG SER A 3 -15.219 11.476 -6.496 1.00 0.00 H new ATOM 30 N GLY A 4 -12.924 9.251 -9.638 1.00 0.00 N ATOM 31 CA GLY A 4 -12.889 8.202 -10.642 1.00 0.00 C ATOM 32 C GLY A 4 -11.766 7.204 -10.354 1.00 0.00 C ATOM 33 O GLY A 4 -11.931 6.299 -9.537 1.00 0.00 O ATOM 0 H GLY A 4 -13.038 8.920 -8.680 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.846 7.681 -10.663 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.745 8.643 -11.628 1.00 0.00 H new ATOM 37 N SER A 5 -10.650 7.402 -11.040 1.00 0.00 N ATOM 38 CA SER A 5 -9.501 6.531 -10.867 1.00 0.00 C ATOM 39 C SER A 5 -8.284 7.349 -10.433 1.00 0.00 C ATOM 40 O SER A 5 -7.855 8.257 -11.145 1.00 0.00 O ATOM 41 CB SER A 5 -9.193 5.764 -12.155 1.00 0.00 C ATOM 42 OG SER A 5 -10.341 5.091 -12.663 1.00 0.00 O ATOM 0 H SER A 5 -10.517 8.153 -11.717 1.00 0.00 H new ATOM 0 HA SER A 5 -9.737 5.804 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.816 6.456 -12.908 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.402 5.038 -11.965 1.00 0.00 H new ATOM 0 HG SER A 5 -10.104 4.615 -13.486 1.00 0.00 H new ATOM 48 N SER A 6 -7.761 7.000 -9.267 1.00 0.00 N ATOM 49 CA SER A 6 -6.601 7.691 -8.729 1.00 0.00 C ATOM 50 C SER A 6 -5.702 6.703 -7.983 1.00 0.00 C ATOM 51 O SER A 6 -4.498 6.646 -8.229 1.00 0.00 O ATOM 52 CB SER A 6 -7.022 8.832 -7.801 1.00 0.00 C ATOM 53 OG SER A 6 -6.783 10.110 -8.383 1.00 0.00 O ATOM 0 H SER A 6 -8.119 6.247 -8.679 1.00 0.00 H new ATOM 0 HA SER A 6 -6.043 8.122 -9.560 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.081 8.734 -7.564 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.476 8.754 -6.861 1.00 0.00 H new ATOM 0 HG SER A 6 -7.067 10.811 -7.760 1.00 0.00 H new ATOM 59 N GLY A 7 -6.321 5.949 -7.087 1.00 0.00 N ATOM 60 CA GLY A 7 -5.592 4.966 -6.304 1.00 0.00 C ATOM 61 C GLY A 7 -4.811 5.637 -5.172 1.00 0.00 C ATOM 62 O GLY A 7 -4.663 6.858 -5.154 1.00 0.00 O ATOM 0 H GLY A 7 -7.320 5.999 -6.886 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.288 4.238 -5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.905 4.418 -6.949 1.00 0.00 H new ATOM 66 N GLU A 8 -4.331 4.809 -4.256 1.00 0.00 N ATOM 67 CA GLU A 8 -3.569 5.307 -3.124 1.00 0.00 C ATOM 68 C GLU A 8 -2.124 4.810 -3.197 1.00 0.00 C ATOM 69 O GLU A 8 -1.866 3.617 -3.044 1.00 0.00 O ATOM 70 CB GLU A 8 -4.222 4.901 -1.801 1.00 0.00 C ATOM 71 CG GLU A 8 -4.834 6.114 -1.097 1.00 0.00 C ATOM 72 CD GLU A 8 -6.231 5.791 -0.563 1.00 0.00 C ATOM 73 OE1 GLU A 8 -7.082 5.408 -1.395 1.00 0.00 O ATOM 74 OE2 GLU A 8 -6.417 5.933 0.665 1.00 0.00 O ATOM 0 H GLU A 8 -4.455 3.797 -4.275 1.00 0.00 H new ATOM 0 HA GLU A 8 -3.561 6.396 -3.168 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -4.995 4.155 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -3.480 4.436 -1.152 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -4.190 6.425 -0.275 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.891 6.952 -1.792 1.00 0.00 H new ATOM 81 N GLU A 9 -1.219 5.749 -3.430 1.00 0.00 N ATOM 82 CA GLU A 9 0.193 5.421 -3.525 1.00 0.00 C ATOM 83 C GLU A 9 0.780 5.190 -2.131 1.00 0.00 C ATOM 84 O GLU A 9 0.626 6.027 -1.243 1.00 0.00 O ATOM 85 CB GLU A 9 0.962 6.515 -4.269 1.00 0.00 C ATOM 86 CG GLU A 9 1.737 5.932 -5.452 1.00 0.00 C ATOM 87 CD GLU A 9 3.225 5.796 -5.119 1.00 0.00 C ATOM 88 OE1 GLU A 9 3.524 5.065 -4.150 1.00 0.00 O ATOM 89 OE2 GLU A 9 4.028 6.426 -5.840 1.00 0.00 O ATOM 0 H GLU A 9 -1.436 6.738 -3.556 1.00 0.00 H new ATOM 0 HA GLU A 9 0.293 4.499 -4.097 1.00 0.00 H new ATOM 0 HB2 GLU A 9 0.267 7.276 -4.624 1.00 0.00 H new ATOM 0 HB3 GLU A 9 1.652 7.009 -3.585 1.00 0.00 H new ATOM 0 HG2 GLU A 9 1.328 4.956 -5.714 1.00 0.00 H new ATOM 0 HG3 GLU A 9 1.613 6.574 -6.324 1.00 0.00 H new ATOM 96 N PHE A 10 1.440 4.051 -1.983 1.00 0.00 N ATOM 97 CA PHE A 10 2.050 3.701 -0.711 1.00 0.00 C ATOM 98 C PHE A 10 3.442 3.100 -0.919 1.00 0.00 C ATOM 99 O PHE A 10 3.791 2.701 -2.029 1.00 0.00 O ATOM 100 CB PHE A 10 1.148 2.653 -0.056 1.00 0.00 C ATOM 101 CG PHE A 10 0.083 3.241 0.870 1.00 0.00 C ATOM 102 CD1 PHE A 10 -0.957 3.946 0.350 1.00 0.00 C ATOM 103 CD2 PHE A 10 0.175 3.058 2.215 1.00 0.00 C ATOM 104 CE1 PHE A 10 -1.946 4.492 1.210 1.00 0.00 C ATOM 105 CE2 PHE A 10 -0.815 3.604 3.075 1.00 0.00 C ATOM 106 CZ PHE A 10 -1.854 4.310 2.555 1.00 0.00 C ATOM 0 H PHE A 10 1.566 3.359 -2.722 1.00 0.00 H new ATOM 0 HA PHE A 10 2.156 4.591 -0.091 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.656 2.073 -0.837 1.00 0.00 H new ATOM 0 HB3 PHE A 10 1.767 1.960 0.513 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.031 4.091 -0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.000 2.498 2.629 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.772 5.052 0.796 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.742 3.458 4.143 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.606 4.726 3.209 1.00 0.00 H new ATOM 116 N VAL A 11 4.200 3.055 0.167 1.00 0.00 N ATOM 117 CA VAL A 11 5.546 2.510 0.118 1.00 0.00 C ATOM 118 C VAL A 11 5.666 1.368 1.129 1.00 0.00 C ATOM 119 O VAL A 11 5.138 1.456 2.237 1.00 0.00 O ATOM 120 CB VAL A 11 6.570 3.623 0.350 1.00 0.00 C ATOM 121 CG1 VAL A 11 7.831 3.077 1.023 1.00 0.00 C ATOM 122 CG2 VAL A 11 6.912 4.334 -0.961 1.00 0.00 C ATOM 0 H VAL A 11 3.907 3.387 1.086 1.00 0.00 H new ATOM 0 HA VAL A 11 5.754 2.095 -0.868 1.00 0.00 H new ATOM 0 HB VAL A 11 6.123 4.355 1.022 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.542 3.889 1.176 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.569 2.638 1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.282 2.315 0.387 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.642 5.121 -0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.330 3.616 -1.666 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.008 4.773 -1.383 1.00 0.00 H new ATOM 132 N ALA A 12 6.364 0.321 0.712 1.00 0.00 N ATOM 133 CA ALA A 12 6.560 -0.837 1.567 1.00 0.00 C ATOM 134 C ALA A 12 7.531 -0.476 2.693 1.00 0.00 C ATOM 135 O ALA A 12 8.684 -0.132 2.437 1.00 0.00 O ATOM 136 CB ALA A 12 7.055 -2.015 0.726 1.00 0.00 C ATOM 0 H ALA A 12 6.801 0.251 -0.207 1.00 0.00 H new ATOM 0 HA ALA A 12 5.619 -1.138 2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.202 -2.884 1.368 1.00 0.00 H new ATOM 0 HB2 ALA A 12 6.317 -2.251 -0.040 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.000 -1.751 0.251 1.00 0.00 H new ATOM 142 N ILE A 13 7.029 -0.566 3.916 1.00 0.00 N ATOM 143 CA ILE A 13 7.837 -0.252 5.082 1.00 0.00 C ATOM 144 C ILE A 13 8.946 -1.297 5.223 1.00 0.00 C ATOM 145 O ILE A 13 9.951 -1.054 5.890 1.00 0.00 O ATOM 146 CB ILE A 13 6.956 -0.120 6.325 1.00 0.00 C ATOM 147 CG1 ILE A 13 6.088 -1.365 6.517 1.00 0.00 C ATOM 148 CG2 ILE A 13 6.118 1.160 6.269 1.00 0.00 C ATOM 149 CD1 ILE A 13 5.949 -1.713 8.001 1.00 0.00 C ATOM 0 H ILE A 13 6.072 -0.852 4.125 1.00 0.00 H new ATOM 0 HA ILE A 13 8.323 0.716 4.960 1.00 0.00 H new ATOM 0 HB ILE A 13 7.605 -0.043 7.197 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.102 -1.195 6.086 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.529 -2.206 5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.500 1.230 7.164 1.00 0.00 H new ATOM 0 HG22 ILE A 13 6.779 2.025 6.215 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.477 1.137 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.327 -2.602 8.110 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.935 -1.906 8.423 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.485 -0.879 8.528 1.00 0.00 H new ATOM 161 N ALA A 14 8.727 -2.437 4.585 1.00 0.00 N ATOM 162 CA ALA A 14 9.695 -3.519 4.631 1.00 0.00 C ATOM 163 C ALA A 14 9.416 -4.497 3.488 1.00 0.00 C ATOM 164 O ALA A 14 8.263 -4.708 3.115 1.00 0.00 O ATOM 165 CB ALA A 14 9.641 -4.194 6.003 1.00 0.00 C ATOM 0 H ALA A 14 7.892 -2.635 4.033 1.00 0.00 H new ATOM 0 HA ALA A 14 10.706 -3.135 4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.367 -5.006 6.038 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.876 -3.464 6.777 1.00 0.00 H new ATOM 0 HB3 ALA A 14 8.641 -4.594 6.173 1.00 0.00 H new ATOM 171 N ASP A 15 10.491 -5.068 2.964 1.00 0.00 N ATOM 172 CA ASP A 15 10.376 -6.018 1.871 1.00 0.00 C ATOM 173 C ASP A 15 9.439 -7.155 2.286 1.00 0.00 C ATOM 174 O ASP A 15 9.475 -7.608 3.429 1.00 0.00 O ATOM 175 CB ASP A 15 11.736 -6.629 1.526 1.00 0.00 C ATOM 176 CG ASP A 15 12.235 -7.690 2.508 1.00 0.00 C ATOM 177 OD1 ASP A 15 12.877 -7.287 3.502 1.00 0.00 O ATOM 178 OD2 ASP A 15 11.964 -8.881 2.242 1.00 0.00 O ATOM 0 H ASP A 15 11.446 -4.891 3.276 1.00 0.00 H new ATOM 0 HA ASP A 15 9.989 -5.486 1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 15 11.676 -7.074 0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 15 12.474 -5.829 1.473 1.00 0.00 H new ATOM 183 N TYR A 16 8.622 -7.582 1.334 1.00 0.00 N ATOM 184 CA TYR A 16 7.677 -8.657 1.587 1.00 0.00 C ATOM 185 C TYR A 16 7.731 -9.707 0.475 1.00 0.00 C ATOM 186 O TYR A 16 8.200 -9.426 -0.627 1.00 0.00 O ATOM 187 CB TYR A 16 6.292 -8.008 1.592 1.00 0.00 C ATOM 188 CG TYR A 16 5.137 -9.007 1.494 1.00 0.00 C ATOM 189 CD1 TYR A 16 4.891 -9.881 2.532 1.00 0.00 C ATOM 190 CD2 TYR A 16 4.340 -9.032 0.367 1.00 0.00 C ATOM 191 CE1 TYR A 16 3.803 -10.821 2.440 1.00 0.00 C ATOM 192 CE2 TYR A 16 3.253 -9.972 0.274 1.00 0.00 C ATOM 193 CZ TYR A 16 3.038 -10.820 1.316 1.00 0.00 C ATOM 194 OH TYR A 16 2.012 -11.708 1.228 1.00 0.00 O ATOM 0 H TYR A 16 8.595 -7.204 0.387 1.00 0.00 H new ATOM 0 HA TYR A 16 7.908 -9.158 2.527 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.178 -7.425 2.506 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.226 -7.309 0.758 1.00 0.00 H new ATOM 0 HD1 TYR A 16 5.514 -9.861 3.414 1.00 0.00 H new ATOM 0 HD2 TYR A 16 4.532 -8.346 -0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 16 3.600 -11.511 3.246 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.623 -10.003 -0.603 1.00 0.00 H new ATOM 0 HH TYR A 16 1.159 -11.226 1.252 1.00 0.00 H new ATOM 204 N ALA A 17 7.245 -10.895 0.803 1.00 0.00 N ATOM 205 CA ALA A 17 7.233 -11.988 -0.154 1.00 0.00 C ATOM 206 C ALA A 17 5.887 -12.713 -0.077 1.00 0.00 C ATOM 207 O ALA A 17 5.557 -13.309 0.947 1.00 0.00 O ATOM 208 CB ALA A 17 8.414 -12.922 0.120 1.00 0.00 C ATOM 0 H ALA A 17 6.857 -11.125 1.718 1.00 0.00 H new ATOM 0 HA ALA A 17 7.347 -11.609 -1.170 1.00 0.00 H new ATOM 0 HB1 ALA A 17 8.404 -13.742 -0.599 1.00 0.00 H new ATOM 0 HB2 ALA A 17 9.347 -12.367 0.024 1.00 0.00 H new ATOM 0 HB3 ALA A 17 8.333 -13.324 1.130 1.00 0.00 H new ATOM 214 N ALA A 18 5.146 -12.636 -1.173 1.00 0.00 N ATOM 215 CA ALA A 18 3.844 -13.277 -1.242 1.00 0.00 C ATOM 216 C ALA A 18 3.984 -14.750 -0.853 1.00 0.00 C ATOM 217 O ALA A 18 4.851 -15.452 -1.371 1.00 0.00 O ATOM 218 CB ALA A 18 3.260 -13.096 -2.644 1.00 0.00 C ATOM 0 H ALA A 18 5.423 -12.140 -2.020 1.00 0.00 H new ATOM 0 HA ALA A 18 3.151 -12.816 -0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.283 -13.577 -2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 18 3.153 -12.033 -2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.927 -13.549 -3.377 1.00 0.00 H new ATOM 224 N THR A 19 3.117 -15.175 0.054 1.00 0.00 N ATOM 225 CA THR A 19 3.133 -16.552 0.518 1.00 0.00 C ATOM 226 C THR A 19 2.165 -17.403 -0.306 1.00 0.00 C ATOM 227 O THR A 19 2.258 -18.630 -0.307 1.00 0.00 O ATOM 228 CB THR A 19 2.818 -16.550 2.015 1.00 0.00 C ATOM 229 OG1 THR A 19 4.091 -16.703 2.638 1.00 0.00 O ATOM 230 CG2 THR A 19 2.039 -17.793 2.451 1.00 0.00 C ATOM 0 H THR A 19 2.398 -14.590 0.480 1.00 0.00 H new ATOM 0 HA THR A 19 4.114 -17.005 0.379 1.00 0.00 H new ATOM 0 HB THR A 19 2.246 -15.656 2.264 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.980 -16.710 3.612 1.00 0.00 H new ATOM 0 HG21 THR A 19 1.841 -17.742 3.522 1.00 0.00 H new ATOM 0 HG22 THR A 19 1.094 -17.839 1.909 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.626 -18.685 2.233 1.00 0.00 H new ATOM 238 N ASP A 20 1.258 -16.719 -0.987 1.00 0.00 N ATOM 239 CA ASP A 20 0.274 -17.397 -1.814 1.00 0.00 C ATOM 240 C ASP A 20 0.294 -16.796 -3.220 1.00 0.00 C ATOM 241 O ASP A 20 1.001 -15.821 -3.473 1.00 0.00 O ATOM 242 CB ASP A 20 -1.136 -17.223 -1.245 1.00 0.00 C ATOM 243 CG ASP A 20 -1.401 -17.969 0.064 1.00 0.00 C ATOM 244 OD1 ASP A 20 -0.696 -18.973 0.299 1.00 0.00 O ATOM 245 OD2 ASP A 20 -2.304 -17.517 0.801 1.00 0.00 O ATOM 0 H ASP A 20 1.184 -15.702 -0.983 1.00 0.00 H new ATOM 0 HA ASP A 20 0.526 -18.457 -1.837 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -1.318 -16.160 -1.083 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -1.857 -17.560 -1.990 1.00 0.00 H new ATOM 250 N GLU A 21 -0.489 -17.402 -4.100 1.00 0.00 N ATOM 251 CA GLU A 21 -0.570 -16.939 -5.475 1.00 0.00 C ATOM 252 C GLU A 21 -1.607 -15.820 -5.597 1.00 0.00 C ATOM 253 O GLU A 21 -1.988 -15.441 -6.704 1.00 0.00 O ATOM 254 CB GLU A 21 -0.895 -18.094 -6.424 1.00 0.00 C ATOM 255 CG GLU A 21 -0.625 -17.701 -7.878 1.00 0.00 C ATOM 256 CD GLU A 21 -0.760 -18.909 -8.807 1.00 0.00 C ATOM 257 OE1 GLU A 21 -0.076 -19.918 -8.528 1.00 0.00 O ATOM 258 OE2 GLU A 21 -1.543 -18.797 -9.774 1.00 0.00 O ATOM 0 H GLU A 21 -1.074 -18.210 -3.887 1.00 0.00 H new ATOM 0 HA GLU A 21 0.403 -16.540 -5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.295 -18.965 -6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.940 -18.381 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.324 -16.923 -8.184 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.377 -17.281 -7.965 1.00 0.00 H new ATOM 265 N THR A 22 -2.033 -15.323 -4.446 1.00 0.00 N ATOM 266 CA THR A 22 -3.018 -14.255 -4.410 1.00 0.00 C ATOM 267 C THR A 22 -2.482 -13.062 -3.617 1.00 0.00 C ATOM 268 O THR A 22 -3.183 -12.509 -2.770 1.00 0.00 O ATOM 269 CB THR A 22 -4.317 -14.828 -3.842 1.00 0.00 C ATOM 270 OG1 THR A 22 -3.967 -15.242 -2.524 1.00 0.00 O ATOM 271 CG2 THR A 22 -4.740 -16.123 -4.539 1.00 0.00 C ATOM 0 H THR A 22 -1.714 -15.640 -3.530 1.00 0.00 H new ATOM 0 HA THR A 22 -3.225 -13.874 -5.410 1.00 0.00 H new ATOM 0 HB THR A 22 -5.112 -14.088 -3.937 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.753 -15.625 -2.082 1.00 0.00 H new ATOM 0 HG21 THR A 22 -5.668 -16.487 -4.098 1.00 0.00 H new ATOM 0 HG22 THR A 22 -4.894 -15.931 -5.601 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.960 -16.874 -4.416 1.00 0.00 H new ATOM 279 N GLN A 23 -1.244 -12.699 -3.918 1.00 0.00 N ATOM 280 CA GLN A 23 -0.606 -11.582 -3.243 1.00 0.00 C ATOM 281 C GLN A 23 0.498 -10.990 -4.123 1.00 0.00 C ATOM 282 O GLN A 23 1.020 -11.667 -5.008 1.00 0.00 O ATOM 283 CB GLN A 23 -0.053 -12.006 -1.882 1.00 0.00 C ATOM 284 CG GLN A 23 -1.182 -12.427 -0.938 1.00 0.00 C ATOM 285 CD GLN A 23 -0.643 -12.725 0.462 1.00 0.00 C ATOM 286 OE1 GLN A 23 -0.444 -11.842 1.280 1.00 0.00 O ATOM 287 NE2 GLN A 23 -0.420 -14.016 0.692 1.00 0.00 N ATOM 0 H GLN A 23 -0.665 -13.159 -4.621 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.357 -10.812 -3.069 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.645 -12.833 -2.011 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.507 -11.182 -1.440 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.929 -11.635 -0.883 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.682 -13.310 -1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.608 -14.704 -0.037 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.061 -14.318 1.598 1.00 0.00 H new ATOM 296 N LEU A 24 0.820 -9.735 -3.849 1.00 0.00 N ATOM 297 CA LEU A 24 1.852 -9.045 -4.604 1.00 0.00 C ATOM 298 C LEU A 24 3.128 -8.967 -3.763 1.00 0.00 C ATOM 299 O LEU A 24 3.063 -8.845 -2.541 1.00 0.00 O ATOM 300 CB LEU A 24 1.346 -7.683 -5.083 1.00 0.00 C ATOM 301 CG LEU A 24 0.259 -7.711 -6.159 1.00 0.00 C ATOM 302 CD1 LEU A 24 -0.199 -6.295 -6.513 1.00 0.00 C ATOM 303 CD2 LEU A 24 0.728 -8.486 -7.392 1.00 0.00 C ATOM 0 H LEU A 24 0.384 -9.177 -3.114 1.00 0.00 H new ATOM 0 HA LEU A 24 2.100 -9.602 -5.507 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.962 -7.137 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.195 -7.117 -5.467 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.606 -8.238 -5.757 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.972 -6.344 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.601 -5.809 -5.624 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.649 -5.721 -6.888 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -0.063 -8.491 -8.142 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.617 -8.009 -7.805 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.965 -9.511 -7.109 1.00 0.00 H new ATOM 315 N SER A 25 4.258 -9.039 -4.451 1.00 0.00 N ATOM 316 CA SER A 25 5.546 -8.978 -3.782 1.00 0.00 C ATOM 317 C SER A 25 6.290 -7.707 -4.196 1.00 0.00 C ATOM 318 O SER A 25 6.391 -7.401 -5.383 1.00 0.00 O ATOM 319 CB SER A 25 6.390 -10.214 -4.099 1.00 0.00 C ATOM 320 OG SER A 25 6.409 -10.505 -5.494 1.00 0.00 O ATOM 0 H SER A 25 4.308 -9.139 -5.465 1.00 0.00 H new ATOM 0 HA SER A 25 5.372 -8.956 -2.706 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.410 -10.056 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 25 5.995 -11.072 -3.555 1.00 0.00 H new ATOM 0 HG SER A 25 6.393 -9.668 -6.003 1.00 0.00 H new ATOM 326 N PHE A 26 6.793 -7.001 -3.194 1.00 0.00 N ATOM 327 CA PHE A 26 7.525 -5.770 -3.438 1.00 0.00 C ATOM 328 C PHE A 26 8.719 -5.644 -2.489 1.00 0.00 C ATOM 329 O PHE A 26 8.962 -6.529 -1.670 1.00 0.00 O ATOM 330 CB PHE A 26 6.557 -4.615 -3.178 1.00 0.00 C ATOM 331 CG PHE A 26 5.556 -4.883 -2.052 1.00 0.00 C ATOM 332 CD1 PHE A 26 5.941 -4.751 -0.754 1.00 0.00 C ATOM 333 CD2 PHE A 26 4.282 -5.254 -2.350 1.00 0.00 C ATOM 334 CE1 PHE A 26 5.012 -5.000 0.290 1.00 0.00 C ATOM 335 CE2 PHE A 26 3.353 -5.504 -1.305 1.00 0.00 C ATOM 336 CZ PHE A 26 3.738 -5.371 -0.007 1.00 0.00 C ATOM 0 H PHE A 26 6.708 -7.258 -2.211 1.00 0.00 H new ATOM 0 HA PHE A 26 7.905 -5.760 -4.459 1.00 0.00 H new ATOM 0 HB2 PHE A 26 7.131 -3.721 -2.935 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.008 -4.401 -4.095 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.953 -4.457 -0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.977 -5.358 -3.381 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.317 -4.895 1.321 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.341 -5.800 -1.541 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.032 -5.560 0.788 1.00 0.00 H new ATOM 346 N LEU A 27 9.432 -4.536 -2.630 1.00 0.00 N ATOM 347 CA LEU A 27 10.593 -4.283 -1.795 1.00 0.00 C ATOM 348 C LEU A 27 10.450 -2.912 -1.132 1.00 0.00 C ATOM 349 O LEU A 27 9.911 -1.982 -1.730 1.00 0.00 O ATOM 350 CB LEU A 27 11.881 -4.441 -2.607 1.00 0.00 C ATOM 351 CG LEU A 27 12.926 -3.338 -2.429 1.00 0.00 C ATOM 352 CD1 LEU A 27 13.656 -3.485 -1.093 1.00 0.00 C ATOM 353 CD2 LEU A 27 13.896 -3.305 -3.612 1.00 0.00 C ATOM 0 H LEU A 27 9.228 -3.804 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 27 10.654 -5.020 -0.995 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.339 -5.394 -2.342 1.00 0.00 H new ATOM 0 HB3 LEU A 27 11.617 -4.497 -3.663 1.00 0.00 H new ATOM 0 HG LEU A 27 12.410 -2.378 -2.410 1.00 0.00 H new ATOM 0 HD11 LEU A 27 14.393 -2.689 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 27 12.937 -3.420 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 27 14.159 -4.451 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 27 14.628 -2.512 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 27 14.410 -4.263 -3.688 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.342 -3.116 -4.532 1.00 0.00 H new ATOM 365 N ARG A 28 10.941 -2.830 0.096 1.00 0.00 N ATOM 366 CA ARG A 28 10.874 -1.588 0.848 1.00 0.00 C ATOM 367 C ARG A 28 11.147 -0.396 -0.072 1.00 0.00 C ATOM 368 O ARG A 28 12.189 -0.335 -0.722 1.00 0.00 O ATOM 369 CB ARG A 28 11.888 -1.582 1.994 1.00 0.00 C ATOM 370 CG ARG A 28 11.920 -0.221 2.690 1.00 0.00 C ATOM 371 CD ARG A 28 12.985 -0.192 3.789 1.00 0.00 C ATOM 372 NE ARG A 28 13.747 1.075 3.722 1.00 0.00 N ATOM 373 CZ ARG A 28 14.903 1.291 4.364 1.00 0.00 C ATOM 374 NH1 ARG A 28 15.437 0.326 5.125 1.00 0.00 N ATOM 375 NH2 ARG A 28 15.525 2.472 4.245 1.00 0.00 N ATOM 0 H ARG A 28 11.387 -3.604 0.589 1.00 0.00 H new ATOM 0 HA ARG A 28 9.871 -1.507 1.266 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.631 -2.358 2.716 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.879 -1.821 1.609 1.00 0.00 H new ATOM 0 HG2 ARG A 28 12.126 0.561 1.959 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.942 -0.006 3.120 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.513 -0.291 4.767 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.661 -1.039 3.674 1.00 0.00 H new ATOM 0 HE ARG A 28 13.368 1.831 3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.963 -0.573 5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.317 0.490 5.614 1.00 0.00 H new ATOM 0 HH21 ARG A 28 15.118 3.206 3.666 1.00 0.00 H new ATOM 0 HH22 ARG A 28 16.405 2.636 4.734 1.00 0.00 H new ATOM 389 N GLY A 29 10.193 0.523 -0.096 1.00 0.00 N ATOM 390 CA GLY A 29 10.317 1.710 -0.925 1.00 0.00 C ATOM 391 C GLY A 29 9.434 1.605 -2.170 1.00 0.00 C ATOM 392 O GLY A 29 8.921 2.610 -2.658 1.00 0.00 O ATOM 0 H GLY A 29 9.330 0.470 0.446 1.00 0.00 H new ATOM 0 HA2 GLY A 29 10.035 2.591 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.357 1.843 -1.223 1.00 0.00 H new ATOM 396 N GLU A 30 9.283 0.378 -2.647 1.00 0.00 N ATOM 397 CA GLU A 30 8.471 0.128 -3.825 1.00 0.00 C ATOM 398 C GLU A 30 7.140 0.876 -3.721 1.00 0.00 C ATOM 399 O GLU A 30 6.465 0.809 -2.695 1.00 0.00 O ATOM 400 CB GLU A 30 8.242 -1.371 -4.026 1.00 0.00 C ATOM 401 CG GLU A 30 9.384 -1.997 -4.830 1.00 0.00 C ATOM 402 CD GLU A 30 8.882 -3.171 -5.673 1.00 0.00 C ATOM 403 OE1 GLU A 30 7.791 -3.019 -6.264 1.00 0.00 O ATOM 404 OE2 GLU A 30 9.600 -4.193 -5.709 1.00 0.00 O ATOM 0 H GLU A 30 9.710 -0.454 -2.239 1.00 0.00 H new ATOM 0 HA GLU A 30 9.008 0.500 -4.697 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.162 -1.864 -3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.297 -1.532 -4.544 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.832 -1.244 -5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 30 10.166 -2.340 -4.152 1.00 0.00 H new ATOM 411 N LYS A 31 6.803 1.572 -4.797 1.00 0.00 N ATOM 412 CA LYS A 31 5.565 2.332 -4.839 1.00 0.00 C ATOM 413 C LYS A 31 4.392 1.376 -5.062 1.00 0.00 C ATOM 414 O LYS A 31 4.167 0.912 -6.179 1.00 0.00 O ATOM 415 CB LYS A 31 5.656 3.447 -5.883 1.00 0.00 C ATOM 416 CG LYS A 31 6.907 4.300 -5.666 1.00 0.00 C ATOM 417 CD LYS A 31 6.673 5.349 -4.577 1.00 0.00 C ATOM 418 CE LYS A 31 7.994 5.775 -3.933 1.00 0.00 C ATOM 419 NZ LYS A 31 8.645 6.833 -4.738 1.00 0.00 N ATOM 0 H LYS A 31 7.366 1.626 -5.646 1.00 0.00 H new ATOM 0 HA LYS A 31 5.393 2.832 -3.886 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.676 3.013 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.768 4.076 -5.826 1.00 0.00 H new ATOM 0 HG2 LYS A 31 7.744 3.660 -5.386 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.181 4.793 -6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.176 6.219 -5.006 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.006 4.945 -3.815 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.812 6.139 -2.922 1.00 0.00 H new ATOM 0 HE3 LYS A 31 8.658 4.915 -3.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 9.540 7.111 -4.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.836 6.473 -5.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.017 7.660 -4.798 1.00 0.00 H new ATOM 433 N ILE A 32 3.675 1.108 -3.980 1.00 0.00 N ATOM 434 CA ILE A 32 2.530 0.216 -4.043 1.00 0.00 C ATOM 435 C ILE A 32 1.249 1.043 -4.159 1.00 0.00 C ATOM 436 O ILE A 32 1.095 2.056 -3.477 1.00 0.00 O ATOM 437 CB ILE A 32 2.535 -0.746 -2.853 1.00 0.00 C ATOM 438 CG1 ILE A 32 3.948 -1.257 -2.566 1.00 0.00 C ATOM 439 CG2 ILE A 32 1.545 -1.892 -3.070 1.00 0.00 C ATOM 440 CD1 ILE A 32 4.378 -2.295 -3.605 1.00 0.00 C ATOM 0 H ILE A 32 3.865 1.493 -3.055 1.00 0.00 H new ATOM 0 HA ILE A 32 2.585 -0.412 -4.932 1.00 0.00 H new ATOM 0 HB ILE A 32 2.205 -0.198 -1.970 1.00 0.00 H new ATOM 0 HG12 ILE A 32 4.648 -0.422 -2.570 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.984 -1.698 -1.570 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.569 -2.561 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.540 -1.487 -3.187 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.820 -2.446 -3.968 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.386 -2.642 -3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.690 -3.140 -3.582 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.365 -1.844 -4.597 1.00 0.00 H new ATOM 452 N LEU A 33 0.361 0.582 -5.028 1.00 0.00 N ATOM 453 CA LEU A 33 -0.902 1.268 -5.243 1.00 0.00 C ATOM 454 C LEU A 33 -2.004 0.553 -4.458 1.00 0.00 C ATOM 455 O LEU A 33 -2.106 -0.672 -4.499 1.00 0.00 O ATOM 456 CB LEU A 33 -1.195 1.395 -6.739 1.00 0.00 C ATOM 457 CG LEU A 33 -1.526 2.802 -7.241 1.00 0.00 C ATOM 458 CD1 LEU A 33 -2.801 3.333 -6.583 1.00 0.00 C ATOM 459 CD2 LEU A 33 -0.340 3.748 -7.040 1.00 0.00 C ATOM 0 H LEU A 33 0.491 -0.258 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 33 -0.851 2.289 -4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.330 1.028 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.030 0.738 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.716 2.747 -8.313 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.014 4.334 -6.957 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.635 2.672 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.664 3.371 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.601 4.741 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.095 3.804 -5.979 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.522 3.373 -7.592 1.00 0.00 H new ATOM 471 N ILE A 34 -2.803 1.350 -3.762 1.00 0.00 N ATOM 472 CA ILE A 34 -3.894 0.809 -2.970 1.00 0.00 C ATOM 473 C ILE A 34 -5.221 1.101 -3.671 1.00 0.00 C ATOM 474 O ILE A 34 -5.930 2.037 -3.302 1.00 0.00 O ATOM 475 CB ILE A 34 -3.827 1.337 -1.535 1.00 0.00 C ATOM 476 CG1 ILE A 34 -2.449 1.080 -0.920 1.00 0.00 C ATOM 477 CG2 ILE A 34 -4.953 0.751 -0.682 1.00 0.00 C ATOM 478 CD1 ILE A 34 -1.965 -0.337 -1.232 1.00 0.00 C ATOM 0 H ILE A 34 -2.716 2.366 -3.731 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.807 -0.275 -2.891 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.972 2.417 -1.561 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.733 1.806 -1.306 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.496 1.222 0.160 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -4.882 1.142 0.333 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.916 1.027 -1.111 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.864 -0.335 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.984 -0.493 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.670 -1.061 -0.823 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.895 -0.468 -2.312 1.00 0.00 H new ATOM 490 N LEU A 35 -5.519 0.283 -4.670 1.00 0.00 N ATOM 491 CA LEU A 35 -6.749 0.443 -5.427 1.00 0.00 C ATOM 492 C LEU A 35 -7.922 0.603 -4.457 1.00 0.00 C ATOM 493 O LEU A 35 -8.530 1.670 -4.384 1.00 0.00 O ATOM 494 CB LEU A 35 -6.923 -0.712 -6.416 1.00 0.00 C ATOM 495 CG LEU A 35 -6.225 -0.548 -7.767 1.00 0.00 C ATOM 496 CD1 LEU A 35 -4.797 -0.031 -7.587 1.00 0.00 C ATOM 497 CD2 LEU A 35 -6.266 -1.851 -8.567 1.00 0.00 C ATOM 0 H LEU A 35 -4.930 -0.493 -4.973 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.709 1.348 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -6.554 -1.624 -5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -7.989 -0.854 -6.595 1.00 0.00 H new ATOM 0 HG LEU A 35 -6.768 0.201 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.323 0.077 -8.563 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.821 0.937 -7.086 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -4.228 -0.738 -6.983 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -5.763 -1.707 -9.523 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.762 -2.638 -8.007 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.303 -2.138 -8.742 1.00 0.00 H new ATOM 509 N ARG A 36 -8.204 -0.472 -3.736 1.00 0.00 N ATOM 510 CA ARG A 36 -9.293 -0.463 -2.774 1.00 0.00 C ATOM 511 C ARG A 36 -8.849 -1.119 -1.464 1.00 0.00 C ATOM 512 O ARG A 36 -7.761 -1.687 -1.388 1.00 0.00 O ATOM 513 CB ARG A 36 -10.515 -1.205 -3.319 1.00 0.00 C ATOM 514 CG ARG A 36 -11.812 -0.576 -2.805 1.00 0.00 C ATOM 515 CD ARG A 36 -12.758 -0.249 -3.962 1.00 0.00 C ATOM 516 NE ARG A 36 -14.154 -0.556 -3.577 1.00 0.00 N ATOM 517 CZ ARG A 36 -15.222 -0.278 -4.337 1.00 0.00 C ATOM 518 NH1 ARG A 36 -15.060 0.313 -5.529 1.00 0.00 N ATOM 519 NH2 ARG A 36 -16.451 -0.593 -3.907 1.00 0.00 N ATOM 0 H ARG A 36 -7.697 -1.355 -3.799 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.565 0.576 -2.590 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.503 -1.183 -4.409 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.472 -2.253 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -12.302 -1.260 -2.112 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.584 0.333 -2.249 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.669 0.804 -4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.480 -0.826 -4.844 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.313 -1.008 -2.676 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.124 0.551 -5.857 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -15.873 0.525 -6.108 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -16.574 -1.045 -3.001 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -17.264 -0.381 -4.486 1.00 0.00 H new ATOM 533 N GLN A 37 -9.715 -1.018 -0.466 1.00 0.00 N ATOM 534 CA GLN A 37 -9.426 -1.594 0.836 1.00 0.00 C ATOM 535 C GLN A 37 -10.140 -2.938 0.992 1.00 0.00 C ATOM 536 O GLN A 37 -9.590 -3.874 1.570 1.00 0.00 O ATOM 537 CB GLN A 37 -9.816 -0.632 1.960 1.00 0.00 C ATOM 538 CG GLN A 37 -8.883 0.581 1.991 1.00 0.00 C ATOM 539 CD GLN A 37 -9.369 1.620 3.004 1.00 0.00 C ATOM 540 OE1 GLN A 37 -9.644 1.323 4.154 1.00 0.00 O ATOM 541 NE2 GLN A 37 -9.460 2.853 2.512 1.00 0.00 N ATOM 0 H GLN A 37 -10.617 -0.546 -0.533 1.00 0.00 H new ATOM 0 HA GLN A 37 -8.352 -1.765 0.906 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -10.845 -0.301 1.819 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.776 -1.151 2.918 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -7.873 0.261 2.248 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.832 1.031 0.999 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.214 3.033 1.539 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -9.776 3.618 3.108 1.00 0.00 H new ATOM 550 N THR A 38 -11.356 -2.990 0.467 1.00 0.00 N ATOM 551 CA THR A 38 -12.151 -4.204 0.541 1.00 0.00 C ATOM 552 C THR A 38 -12.581 -4.473 1.985 1.00 0.00 C ATOM 553 O THR A 38 -13.773 -4.489 2.288 1.00 0.00 O ATOM 554 CB THR A 38 -11.333 -5.343 -0.071 1.00 0.00 C ATOM 555 OG1 THR A 38 -10.688 -4.744 -1.191 1.00 0.00 O ATOM 556 CG2 THR A 38 -12.215 -6.431 -0.687 1.00 0.00 C ATOM 0 H THR A 38 -11.809 -2.211 -0.011 1.00 0.00 H new ATOM 0 HA THR A 38 -13.076 -4.106 -0.028 1.00 0.00 H new ATOM 0 HB THR A 38 -10.694 -5.783 0.695 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.265 -5.440 -1.736 1.00 0.00 H new ATOM 0 HG21 THR A 38 -11.585 -7.215 -1.107 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.859 -6.856 0.083 1.00 0.00 H new ATOM 0 HG23 THR A 38 -12.830 -5.998 -1.476 1.00 0.00 H new ATOM 564 N THR A 39 -11.587 -4.677 2.837 1.00 0.00 N ATOM 565 CA THR A 39 -11.848 -4.944 4.241 1.00 0.00 C ATOM 566 C THR A 39 -11.141 -3.910 5.120 1.00 0.00 C ATOM 567 O THR A 39 -11.688 -2.841 5.390 1.00 0.00 O ATOM 568 CB THR A 39 -11.423 -6.384 4.535 1.00 0.00 C ATOM 569 OG1 THR A 39 -10.267 -6.577 3.725 1.00 0.00 O ATOM 570 CG2 THR A 39 -12.426 -7.410 4.004 1.00 0.00 C ATOM 0 H THR A 39 -10.600 -4.663 2.582 1.00 0.00 H new ATOM 0 HA THR A 39 -12.909 -4.850 4.472 1.00 0.00 H new ATOM 0 HB THR A 39 -11.305 -6.515 5.611 1.00 0.00 H new ATOM 0 HG1 THR A 39 -9.924 -7.486 3.855 1.00 0.00 H new ATOM 0 HG21 THR A 39 -12.077 -8.415 4.239 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.397 -7.245 4.471 1.00 0.00 H new ATOM 0 HG23 THR A 39 -12.520 -7.302 2.923 1.00 0.00 H new ATOM 578 N ALA A 40 -9.937 -4.264 5.543 1.00 0.00 N ATOM 579 CA ALA A 40 -9.150 -3.381 6.387 1.00 0.00 C ATOM 580 C ALA A 40 -7.728 -3.933 6.510 1.00 0.00 C ATOM 581 O ALA A 40 -6.760 -3.237 6.208 1.00 0.00 O ATOM 582 CB ALA A 40 -9.835 -3.227 7.746 1.00 0.00 C ATOM 0 H ALA A 40 -9.487 -5.151 5.317 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.081 -2.388 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.244 -2.565 8.378 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.830 -2.803 7.606 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.920 -4.203 8.223 1.00 0.00 H new ATOM 588 N ASP A 41 -7.648 -5.179 6.954 1.00 0.00 N ATOM 589 CA ASP A 41 -6.361 -5.832 7.121 1.00 0.00 C ATOM 590 C ASP A 41 -5.795 -6.194 5.746 1.00 0.00 C ATOM 591 O ASP A 41 -4.583 -6.150 5.539 1.00 0.00 O ATOM 592 CB ASP A 41 -6.500 -7.124 7.930 1.00 0.00 C ATOM 593 CG ASP A 41 -5.815 -7.107 9.298 1.00 0.00 C ATOM 594 OD1 ASP A 41 -4.597 -6.828 9.320 1.00 0.00 O ATOM 595 OD2 ASP A 41 -6.526 -7.375 10.291 1.00 0.00 O ATOM 0 H ASP A 41 -8.453 -5.753 7.203 1.00 0.00 H new ATOM 0 HA ASP A 41 -5.700 -5.145 7.649 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -7.560 -7.333 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.090 -7.947 7.345 1.00 0.00 H new ATOM 600 N TRP A 42 -6.699 -6.542 4.843 1.00 0.00 N ATOM 601 CA TRP A 42 -6.305 -6.910 3.493 1.00 0.00 C ATOM 602 C TRP A 42 -6.738 -5.785 2.551 1.00 0.00 C ATOM 603 O TRP A 42 -7.902 -5.387 2.547 1.00 0.00 O ATOM 604 CB TRP A 42 -6.885 -8.272 3.106 1.00 0.00 C ATOM 605 CG TRP A 42 -6.268 -9.449 3.863 1.00 0.00 C ATOM 606 CD1 TRP A 42 -6.683 -9.998 5.013 1.00 0.00 C ATOM 607 CD2 TRP A 42 -5.102 -10.205 3.475 1.00 0.00 C ATOM 608 NE1 TRP A 42 -5.872 -11.048 5.394 1.00 0.00 N ATOM 609 CE2 TRP A 42 -4.880 -11.179 4.428 1.00 0.00 C ATOM 610 CE3 TRP A 42 -4.262 -10.072 2.356 1.00 0.00 C ATOM 611 CZ2 TRP A 42 -3.822 -12.093 4.359 1.00 0.00 C ATOM 612 CZ3 TRP A 42 -3.209 -10.993 2.301 1.00 0.00 C ATOM 613 CH2 TRP A 42 -2.972 -11.979 3.252 1.00 0.00 C ATOM 0 H TRP A 42 -7.703 -6.577 5.019 1.00 0.00 H new ATOM 0 HA TRP A 42 -5.223 -7.024 3.423 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.960 -8.262 3.285 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -6.741 -8.426 2.036 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -7.544 -9.661 5.571 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -5.980 -11.622 6.230 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -4.417 -9.318 1.598 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -3.670 -12.845 5.119 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.533 -10.933 1.461 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.136 -12.654 3.138 1.00 0.00 H new ATOM 624 N TRP A 43 -5.779 -5.305 1.774 1.00 0.00 N ATOM 625 CA TRP A 43 -6.046 -4.234 0.829 1.00 0.00 C ATOM 626 C TRP A 43 -5.852 -4.791 -0.583 1.00 0.00 C ATOM 627 O TRP A 43 -5.083 -5.729 -0.784 1.00 0.00 O ATOM 628 CB TRP A 43 -5.167 -3.016 1.117 1.00 0.00 C ATOM 629 CG TRP A 43 -5.552 -2.258 2.389 1.00 0.00 C ATOM 630 CD1 TRP A 43 -6.537 -2.542 3.253 1.00 0.00 C ATOM 631 CD2 TRP A 43 -4.916 -1.072 2.909 1.00 0.00 C ATOM 632 NE1 TRP A 43 -6.581 -1.629 4.287 1.00 0.00 N ATOM 633 CE2 TRP A 43 -5.564 -0.707 4.071 1.00 0.00 C ATOM 634 CE3 TRP A 43 -3.828 -0.331 2.414 1.00 0.00 C ATOM 635 CZ2 TRP A 43 -5.199 0.408 4.836 1.00 0.00 C ATOM 636 CZ3 TRP A 43 -3.475 0.780 3.189 1.00 0.00 C ATOM 637 CH2 TRP A 43 -4.118 1.160 4.361 1.00 0.00 C ATOM 0 H TRP A 43 -4.815 -5.638 1.779 1.00 0.00 H new ATOM 0 HA TRP A 43 -7.073 -3.881 0.926 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -4.130 -3.341 1.200 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -5.221 -2.333 0.269 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -7.211 -3.380 3.153 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -7.239 -1.631 5.066 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -3.306 -0.598 1.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -5.723 0.673 5.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -2.645 1.384 2.853 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -3.785 2.032 4.903 1.00 0.00 H new ATOM 648 N TRP A 44 -6.563 -4.188 -1.525 1.00 0.00 N ATOM 649 CA TRP A 44 -6.479 -4.612 -2.912 1.00 0.00 C ATOM 650 C TRP A 44 -5.550 -3.643 -3.647 1.00 0.00 C ATOM 651 O TRP A 44 -5.936 -2.513 -3.945 1.00 0.00 O ATOM 652 CB TRP A 44 -7.870 -4.701 -3.544 1.00 0.00 C ATOM 653 CG TRP A 44 -7.858 -5.103 -5.020 1.00 0.00 C ATOM 654 CD1 TRP A 44 -7.879 -4.301 -6.094 1.00 0.00 C ATOM 655 CD2 TRP A 44 -7.823 -6.446 -5.545 1.00 0.00 C ATOM 656 NE1 TRP A 44 -7.859 -5.026 -7.267 1.00 0.00 N ATOM 657 CE2 TRP A 44 -7.824 -6.372 -6.923 1.00 0.00 C ATOM 658 CE3 TRP A 44 -7.790 -7.683 -4.878 1.00 0.00 C ATOM 659 CZ2 TRP A 44 -7.793 -7.501 -7.752 1.00 0.00 C ATOM 660 CZ3 TRP A 44 -7.761 -8.802 -5.720 1.00 0.00 C ATOM 661 CH2 TRP A 44 -7.761 -8.744 -7.109 1.00 0.00 C ATOM 0 H TRP A 44 -7.200 -3.409 -1.355 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.062 -5.617 -2.983 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -8.466 -5.423 -2.986 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.365 -3.735 -3.445 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.908 -3.222 -6.047 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -7.868 -4.645 -8.213 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -7.787 -7.764 -3.801 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -7.794 -7.417 -8.829 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -7.737 -9.778 -5.258 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -7.736 -9.654 -7.690 1.00 0.00 H new ATOM 672 N GLY A 45 -4.344 -4.120 -3.917 1.00 0.00 N ATOM 673 CA GLY A 45 -3.357 -3.310 -4.611 1.00 0.00 C ATOM 674 C GLY A 45 -3.278 -3.691 -6.091 1.00 0.00 C ATOM 675 O GLY A 45 -4.085 -4.482 -6.576 1.00 0.00 O ATOM 0 H GLY A 45 -4.028 -5.057 -3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -3.615 -2.255 -4.517 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -2.380 -3.442 -4.145 1.00 0.00 H new ATOM 679 N GLU A 46 -2.298 -3.109 -6.767 1.00 0.00 N ATOM 680 CA GLU A 46 -2.103 -3.377 -8.181 1.00 0.00 C ATOM 681 C GLU A 46 -0.639 -3.154 -8.567 1.00 0.00 C ATOM 682 O GLU A 46 -0.111 -2.055 -8.406 1.00 0.00 O ATOM 683 CB GLU A 46 -3.032 -2.514 -9.037 1.00 0.00 C ATOM 684 CG GLU A 46 -2.735 -2.698 -10.526 1.00 0.00 C ATOM 685 CD GLU A 46 -3.306 -1.540 -11.347 1.00 0.00 C ATOM 686 OE1 GLU A 46 -2.583 -0.529 -11.481 1.00 0.00 O ATOM 687 OE2 GLU A 46 -4.453 -1.691 -11.820 1.00 0.00 O ATOM 0 H GLU A 46 -1.631 -2.453 -6.361 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.354 -4.421 -8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.070 -2.779 -8.834 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.912 -1.465 -8.766 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.658 -2.761 -10.680 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.162 -3.639 -10.872 1.00 0.00 H new ATOM 694 N ARG A 47 -0.024 -4.215 -9.069 1.00 0.00 N ATOM 695 CA ARG A 47 1.368 -4.149 -9.478 1.00 0.00 C ATOM 696 C ARG A 47 1.469 -3.790 -10.962 1.00 0.00 C ATOM 697 O ARG A 47 0.457 -3.530 -11.611 1.00 0.00 O ATOM 698 CB ARG A 47 2.078 -5.482 -9.235 1.00 0.00 C ATOM 699 CG ARG A 47 2.743 -5.506 -7.857 1.00 0.00 C ATOM 700 CD ARG A 47 4.245 -5.236 -7.968 1.00 0.00 C ATOM 701 NE ARG A 47 4.976 -6.510 -8.151 1.00 0.00 N ATOM 702 CZ ARG A 47 6.289 -6.593 -8.405 1.00 0.00 C ATOM 703 NH1 ARG A 47 7.023 -5.477 -8.508 1.00 0.00 N ATOM 704 NH2 ARG A 47 6.868 -7.792 -8.557 1.00 0.00 N ATOM 0 H ARG A 47 -0.465 -5.125 -9.202 1.00 0.00 H new ATOM 0 HA ARG A 47 1.852 -3.378 -8.879 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.361 -6.299 -9.311 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.829 -5.644 -10.008 1.00 0.00 H new ATOM 0 HG2 ARG A 47 2.282 -4.757 -7.214 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.578 -6.475 -7.386 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.442 -4.570 -8.808 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.599 -4.730 -7.070 1.00 0.00 H new ATOM 0 HE ARG A 47 4.447 -7.379 -8.079 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.582 -4.564 -8.393 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.023 -5.540 -8.701 1.00 0.00 H new ATOM 0 HH21 ARG A 47 6.309 -8.642 -8.479 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.868 -7.855 -8.750 1.00 0.00 H new ATOM 718 N ALA A 48 2.698 -3.787 -11.456 1.00 0.00 N ATOM 719 CA ALA A 48 2.944 -3.463 -12.851 1.00 0.00 C ATOM 720 C ALA A 48 2.191 -4.455 -13.740 1.00 0.00 C ATOM 721 O ALA A 48 2.617 -5.598 -13.900 1.00 0.00 O ATOM 722 CB ALA A 48 4.450 -3.468 -13.119 1.00 0.00 C ATOM 0 H ALA A 48 3.535 -4.004 -10.915 1.00 0.00 H new ATOM 0 HA ALA A 48 2.575 -2.464 -13.084 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.634 -3.225 -14.165 1.00 0.00 H new ATOM 0 HB2 ALA A 48 4.935 -2.727 -12.484 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.855 -4.456 -12.899 1.00 0.00 H new ATOM 728 N GLY A 49 1.085 -3.982 -14.295 1.00 0.00 N ATOM 729 CA GLY A 49 0.269 -4.812 -15.164 1.00 0.00 C ATOM 730 C GLY A 49 -0.297 -6.012 -14.401 1.00 0.00 C ATOM 731 O GLY A 49 -0.888 -6.910 -15.000 1.00 0.00 O ATOM 0 H GLY A 49 0.735 -3.034 -14.159 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -0.548 -4.220 -15.576 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.867 -5.161 -16.006 1.00 0.00 H new ATOM 735 N CYS A 50 -0.098 -5.988 -13.092 1.00 0.00 N ATOM 736 CA CYS A 50 -0.581 -7.063 -12.242 1.00 0.00 C ATOM 737 C CYS A 50 -1.654 -6.493 -11.311 1.00 0.00 C ATOM 738 O CYS A 50 -1.736 -5.281 -11.121 1.00 0.00 O ATOM 739 CB CYS A 50 0.558 -7.724 -11.462 1.00 0.00 C ATOM 740 SG CYS A 50 0.970 -9.343 -12.209 1.00 0.00 S ATOM 0 H CYS A 50 0.391 -5.241 -12.599 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.015 -7.850 -12.858 1.00 0.00 H new ATOM 0 HB2 CYS A 50 1.436 -7.078 -11.467 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.267 -7.858 -10.420 1.00 0.00 H new ATOM 0 HG CYS A 50 1.939 -9.895 -11.541 1.00 0.00 H new ATOM 746 N CYS A 51 -2.449 -7.396 -10.755 1.00 0.00 N ATOM 747 CA CYS A 51 -3.513 -6.998 -9.849 1.00 0.00 C ATOM 748 C CYS A 51 -3.713 -8.116 -8.824 1.00 0.00 C ATOM 749 O CYS A 51 -4.154 -9.211 -9.172 1.00 0.00 O ATOM 750 CB CYS A 51 -4.806 -6.676 -10.601 1.00 0.00 C ATOM 751 SG CYS A 51 -4.438 -5.630 -12.058 1.00 0.00 S ATOM 0 H CYS A 51 -2.378 -8.401 -10.914 1.00 0.00 H new ATOM 0 HA CYS A 51 -3.231 -6.079 -9.334 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.291 -7.599 -10.919 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.503 -6.161 -9.940 1.00 0.00 H new ATOM 0 HG CYS A 51 -3.244 -5.128 -11.942 1.00 0.00 H new ATOM 757 N GLY A 52 -3.380 -7.802 -7.580 1.00 0.00 N ATOM 758 CA GLY A 52 -3.518 -8.766 -6.502 1.00 0.00 C ATOM 759 C GLY A 52 -3.843 -8.068 -5.180 1.00 0.00 C ATOM 760 O GLY A 52 -4.011 -6.850 -5.143 1.00 0.00 O ATOM 0 H GLY A 52 -3.015 -6.893 -7.295 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -4.307 -9.478 -6.745 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -2.595 -9.336 -6.399 1.00 0.00 H new ATOM 764 N TYR A 53 -3.923 -8.870 -4.129 1.00 0.00 N ATOM 765 CA TYR A 53 -4.226 -8.344 -2.808 1.00 0.00 C ATOM 766 C TYR A 53 -2.943 -8.082 -2.016 1.00 0.00 C ATOM 767 O TYR A 53 -1.933 -8.752 -2.223 1.00 0.00 O ATOM 768 CB TYR A 53 -5.037 -9.429 -2.098 1.00 0.00 C ATOM 769 CG TYR A 53 -6.548 -9.192 -2.122 1.00 0.00 C ATOM 770 CD1 TYR A 53 -7.106 -8.214 -1.323 1.00 0.00 C ATOM 771 CD2 TYR A 53 -7.354 -9.955 -2.942 1.00 0.00 C ATOM 772 CE1 TYR A 53 -8.528 -7.991 -1.345 1.00 0.00 C ATOM 773 CE2 TYR A 53 -8.777 -9.732 -2.964 1.00 0.00 C ATOM 774 CZ TYR A 53 -9.293 -8.760 -2.164 1.00 0.00 C ATOM 775 OH TYR A 53 -10.637 -8.549 -2.185 1.00 0.00 O ATOM 0 H TYR A 53 -3.783 -9.880 -4.165 1.00 0.00 H new ATOM 0 HA TYR A 53 -4.767 -7.401 -2.885 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -4.823 -10.391 -2.563 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.706 -9.496 -1.061 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -6.476 -7.616 -0.681 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -6.918 -10.720 -3.568 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -8.977 -7.230 -0.725 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -9.419 -10.323 -3.601 1.00 0.00 H new ATOM 0 HH TYR A 53 -11.068 -9.116 -1.511 1.00 0.00 H new ATOM 785 N ILE A 54 -3.026 -7.105 -1.124 1.00 0.00 N ATOM 786 CA ILE A 54 -1.885 -6.746 -0.300 1.00 0.00 C ATOM 787 C ILE A 54 -2.336 -6.607 1.156 1.00 0.00 C ATOM 788 O ILE A 54 -3.492 -6.282 1.422 1.00 0.00 O ATOM 789 CB ILE A 54 -1.197 -5.496 -0.852 1.00 0.00 C ATOM 790 CG1 ILE A 54 -2.224 -4.492 -1.380 1.00 0.00 C ATOM 791 CG2 ILE A 54 -0.159 -5.865 -1.914 1.00 0.00 C ATOM 792 CD1 ILE A 54 -1.578 -3.129 -1.635 1.00 0.00 C ATOM 0 H ILE A 54 -3.866 -6.551 -0.954 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.133 -7.534 -0.328 1.00 0.00 H new ATOM 0 HB ILE A 54 -0.664 -5.011 -0.034 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.664 -4.868 -2.304 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.036 -4.385 -0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.315 -4.958 -2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.598 -6.514 -1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.649 -6.386 -2.737 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.330 -2.434 -2.010 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.160 -2.744 -0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -0.783 -3.236 -2.373 1.00 0.00 H new ATOM 804 N PRO A 55 -1.376 -6.866 2.083 1.00 0.00 N ATOM 805 CA PRO A 55 -1.663 -6.774 3.504 1.00 0.00 C ATOM 806 C PRO A 55 -1.749 -5.313 3.952 1.00 0.00 C ATOM 807 O PRO A 55 -1.417 -4.406 3.190 1.00 0.00 O ATOM 808 CB PRO A 55 -0.539 -7.538 4.183 1.00 0.00 C ATOM 809 CG PRO A 55 0.580 -7.632 3.158 1.00 0.00 C ATOM 810 CD PRO A 55 0.004 -7.254 1.803 1.00 0.00 C ATOM 0 HA PRO A 55 -2.631 -7.201 3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.203 -7.021 5.082 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -0.871 -8.530 4.491 1.00 0.00 H new ATOM 0 HG2 PRO A 55 1.399 -6.964 3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 55 0.989 -8.642 3.131 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.562 -6.434 1.350 1.00 0.00 H new ATOM 0 HD3 PRO A 55 0.047 -8.092 1.107 1.00 0.00 H new ATOM 818 N ALA A 56 -2.197 -5.131 5.185 1.00 0.00 N ATOM 819 CA ALA A 56 -2.331 -3.796 5.744 1.00 0.00 C ATOM 820 C ALA A 56 -1.352 -3.635 6.908 1.00 0.00 C ATOM 821 O ALA A 56 -1.710 -3.866 8.062 1.00 0.00 O ATOM 822 CB ALA A 56 -3.782 -3.563 6.166 1.00 0.00 C ATOM 0 H ALA A 56 -2.472 -5.886 5.813 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.083 -3.041 4.998 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.883 -2.562 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.434 -3.660 5.298 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.066 -4.301 6.916 1.00 0.00 H new ATOM 828 N ASN A 57 -0.134 -3.239 6.566 1.00 0.00 N ATOM 829 CA ASN A 57 0.899 -3.044 7.568 1.00 0.00 C ATOM 830 C ASN A 57 2.263 -2.966 6.880 1.00 0.00 C ATOM 831 O ASN A 57 3.101 -2.143 7.246 1.00 0.00 O ATOM 832 CB ASN A 57 0.935 -4.211 8.557 1.00 0.00 C ATOM 833 CG ASN A 57 0.672 -3.728 9.985 1.00 0.00 C ATOM 834 OD1 ASN A 57 0.143 -2.654 10.217 1.00 0.00 O ATOM 835 ND2 ASN A 57 1.070 -4.580 10.925 1.00 0.00 N ATOM 0 H ASN A 57 0.160 -3.048 5.608 1.00 0.00 H new ATOM 0 HA ASN A 57 0.677 -2.122 8.106 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.187 -4.953 8.277 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.906 -4.703 8.509 1.00 0.00 H new ATOM 0 HD21 ASN A 57 0.939 -4.350 11.910 1.00 0.00 H new ATOM 0 HD22 ASN A 57 1.506 -5.463 10.661 1.00 0.00 H new ATOM 842 N HIS A 58 2.444 -3.833 5.895 1.00 0.00 N ATOM 843 CA HIS A 58 3.692 -3.872 5.152 1.00 0.00 C ATOM 844 C HIS A 58 3.871 -2.564 4.379 1.00 0.00 C ATOM 845 O HIS A 58 4.996 -2.149 4.107 1.00 0.00 O ATOM 846 CB HIS A 58 3.749 -5.107 4.249 1.00 0.00 C ATOM 847 CG HIS A 58 4.332 -6.329 4.917 1.00 0.00 C ATOM 848 ND1 HIS A 58 5.682 -6.462 5.189 1.00 0.00 N ATOM 849 CD2 HIS A 58 3.734 -7.471 5.364 1.00 0.00 C ATOM 850 CE1 HIS A 58 5.878 -7.635 5.773 1.00 0.00 C ATOM 851 NE2 HIS A 58 4.669 -8.259 5.880 1.00 0.00 N ATOM 0 H HIS A 58 1.747 -4.514 5.594 1.00 0.00 H new ATOM 0 HA HIS A 58 4.529 -3.961 5.845 1.00 0.00 H new ATOM 0 HB2 HIS A 58 2.741 -5.340 3.905 1.00 0.00 H new ATOM 0 HB3 HIS A 58 4.341 -4.871 3.365 1.00 0.00 H new ATOM 0 HD2 HIS A 58 2.679 -7.696 5.308 1.00 0.00 H new ATOM 0 HE1 HIS A 58 6.827 -8.028 6.106 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.510 -9.180 6.289 1.00 0.00 H new ATOM 859 N VAL A 59 2.744 -1.951 4.047 1.00 0.00 N ATOM 860 CA VAL A 59 2.762 -0.699 3.311 1.00 0.00 C ATOM 861 C VAL A 59 2.482 0.457 4.273 1.00 0.00 C ATOM 862 O VAL A 59 1.800 0.280 5.281 1.00 0.00 O ATOM 863 CB VAL A 59 1.770 -0.762 2.148 1.00 0.00 C ATOM 864 CG1 VAL A 59 2.253 -1.730 1.066 1.00 0.00 C ATOM 865 CG2 VAL A 59 0.372 -1.142 2.639 1.00 0.00 C ATOM 0 H VAL A 59 1.812 -2.299 4.274 1.00 0.00 H new ATOM 0 HA VAL A 59 3.745 -0.527 2.873 1.00 0.00 H new ATOM 0 HB VAL A 59 1.711 0.232 1.705 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.529 -1.756 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.218 -1.397 0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.356 -2.728 1.491 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.313 -1.180 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.408 -2.119 3.120 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.023 -0.398 3.355 1.00 0.00 H new ATOM 875 N GLY A 60 3.024 1.616 3.928 1.00 0.00 N ATOM 876 CA GLY A 60 2.841 2.801 4.749 1.00 0.00 C ATOM 877 C GLY A 60 3.836 3.896 4.359 1.00 0.00 C ATOM 878 O GLY A 60 5.014 3.619 4.137 1.00 0.00 O ATOM 0 H GLY A 60 3.590 1.760 3.091 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.823 3.173 4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.971 2.543 5.800 1.00 0.00 H new ATOM 882 N LYS A 61 3.326 5.117 4.289 1.00 0.00 N ATOM 883 CA LYS A 61 4.156 6.255 3.931 1.00 0.00 C ATOM 884 C LYS A 61 5.497 6.154 4.661 1.00 0.00 C ATOM 885 O LYS A 61 5.554 5.696 5.801 1.00 0.00 O ATOM 886 CB LYS A 61 3.411 7.565 4.193 1.00 0.00 C ATOM 887 CG LYS A 61 2.595 7.987 2.969 1.00 0.00 C ATOM 888 CD LYS A 61 3.503 8.543 1.871 1.00 0.00 C ATOM 889 CE LYS A 61 3.508 7.625 0.646 1.00 0.00 C ATOM 890 NZ LYS A 61 2.692 8.209 -0.442 1.00 0.00 N ATOM 0 H LYS A 61 2.349 5.343 4.474 1.00 0.00 H new ATOM 0 HA LYS A 61 4.373 6.246 2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.750 7.446 5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 61 4.125 8.349 4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 61 2.037 7.132 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 61 1.863 8.742 3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.164 9.538 1.583 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.518 8.651 2.253 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.531 7.475 0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.116 6.645 0.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.026 7.494 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.161 9.026 -0.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.315 8.518 -1.215 1.00 0.00 H new ATOM 904 N HIS A 62 6.543 6.588 3.973 1.00 0.00 N ATOM 905 CA HIS A 62 7.879 6.551 4.542 1.00 0.00 C ATOM 906 C HIS A 62 8.799 7.485 3.753 1.00 0.00 C ATOM 907 O HIS A 62 8.721 7.548 2.527 1.00 0.00 O ATOM 908 CB HIS A 62 8.405 5.116 4.604 1.00 0.00 C ATOM 909 CG HIS A 62 9.481 4.899 5.641 1.00 0.00 C ATOM 910 ND1 HIS A 62 10.784 4.571 5.312 1.00 0.00 N ATOM 911 CD2 HIS A 62 9.433 4.969 7.002 1.00 0.00 C ATOM 912 CE1 HIS A 62 11.481 4.450 6.432 1.00 0.00 C ATOM 913 NE2 HIS A 62 10.642 4.696 7.479 1.00 0.00 N ATOM 0 H HIS A 62 6.492 6.967 3.027 1.00 0.00 H new ATOM 0 HA HIS A 62 7.849 6.910 5.571 1.00 0.00 H new ATOM 0 HB2 HIS A 62 7.573 4.444 4.813 1.00 0.00 H new ATOM 0 HB3 HIS A 62 8.798 4.842 3.625 1.00 0.00 H new ATOM 0 HD2 HIS A 62 8.560 5.206 7.592 1.00 0.00 H new ATOM 0 HE1 HIS A 62 12.529 4.200 6.504 1.00 0.00 H new ATOM 0 HE2 HIS A 62 10.901 4.674 8.465 1.00 0.00 H new ATOM 921 N SER A 63 9.647 8.188 4.488 1.00 0.00 N ATOM 922 CA SER A 63 10.580 9.117 3.872 1.00 0.00 C ATOM 923 C SER A 63 11.736 8.347 3.230 1.00 0.00 C ATOM 924 O SER A 63 12.256 7.398 3.815 1.00 0.00 O ATOM 925 CB SER A 63 11.115 10.121 4.895 1.00 0.00 C ATOM 926 OG SER A 63 11.634 11.292 4.272 1.00 0.00 O ATOM 0 H SER A 63 9.708 8.133 5.505 1.00 0.00 H new ATOM 0 HA SER A 63 10.049 9.674 3.100 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.316 10.400 5.582 1.00 0.00 H new ATOM 0 HB3 SER A 63 11.897 9.650 5.490 1.00 0.00 H new ATOM 0 HG SER A 63 11.964 11.909 4.958 1.00 0.00 H new ATOM 932 N GLY A 64 12.105 8.785 2.035 1.00 0.00 N ATOM 933 CA GLY A 64 13.190 8.150 1.307 1.00 0.00 C ATOM 934 C GLY A 64 13.724 9.069 0.206 1.00 0.00 C ATOM 935 O GLY A 64 13.049 10.013 -0.201 1.00 0.00 O ATOM 0 H GLY A 64 11.671 9.572 1.553 1.00 0.00 H new ATOM 0 HA2 GLY A 64 13.995 7.896 1.996 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.840 7.216 0.868 1.00 0.00 H new ATOM 939 N PRO A 65 14.963 8.752 -0.257 1.00 0.00 N ATOM 940 CA PRO A 65 15.595 9.538 -1.303 1.00 0.00 C ATOM 941 C PRO A 65 14.971 9.238 -2.667 1.00 0.00 C ATOM 942 O PRO A 65 14.464 10.139 -3.334 1.00 0.00 O ATOM 943 CB PRO A 65 17.069 9.175 -1.231 1.00 0.00 C ATOM 944 CG PRO A 65 17.138 7.863 -0.467 1.00 0.00 C ATOM 945 CD PRO A 65 15.791 7.641 0.202 1.00 0.00 C ATOM 0 HA PRO A 65 15.455 10.610 -1.166 1.00 0.00 H new ATOM 0 HB2 PRO A 65 17.494 9.069 -2.229 1.00 0.00 H new ATOM 0 HB3 PRO A 65 17.639 9.953 -0.723 1.00 0.00 H new ATOM 0 HG2 PRO A 65 17.369 7.040 -1.143 1.00 0.00 H new ATOM 0 HG3 PRO A 65 17.933 7.896 0.278 1.00 0.00 H new ATOM 0 HD2 PRO A 65 15.360 6.681 -0.084 1.00 0.00 H new ATOM 0 HD3 PRO A 65 15.884 7.638 1.288 1.00 0.00 H new ATOM 953 N SER A 66 15.028 7.969 -3.042 1.00 0.00 N ATOM 954 CA SER A 66 14.475 7.539 -4.315 1.00 0.00 C ATOM 955 C SER A 66 15.247 8.186 -5.466 1.00 0.00 C ATOM 956 O SER A 66 15.855 9.241 -5.295 1.00 0.00 O ATOM 957 CB SER A 66 12.987 7.884 -4.414 1.00 0.00 C ATOM 958 OG SER A 66 12.162 6.838 -3.908 1.00 0.00 O ATOM 0 H SER A 66 15.449 7.224 -2.486 1.00 0.00 H new ATOM 0 HA SER A 66 14.575 6.456 -4.383 1.00 0.00 H new ATOM 0 HB2 SER A 66 12.790 8.802 -3.860 1.00 0.00 H new ATOM 0 HB3 SER A 66 12.728 8.079 -5.455 1.00 0.00 H new ATOM 0 HG SER A 66 11.418 7.225 -3.401 1.00 0.00 H new ATOM 964 N SER A 67 15.198 7.525 -6.614 1.00 0.00 N ATOM 965 CA SER A 67 15.886 8.023 -7.793 1.00 0.00 C ATOM 966 C SER A 67 17.397 8.023 -7.557 1.00 0.00 C ATOM 967 O SER A 67 17.861 8.408 -6.484 1.00 0.00 O ATOM 968 CB SER A 67 15.405 9.429 -8.159 1.00 0.00 C ATOM 969 OG SER A 67 14.914 9.495 -9.495 1.00 0.00 O ATOM 0 H SER A 67 14.693 6.650 -6.752 1.00 0.00 H new ATOM 0 HA SER A 67 15.656 7.361 -8.628 1.00 0.00 H new ATOM 0 HB2 SER A 67 14.619 9.734 -7.468 1.00 0.00 H new ATOM 0 HB3 SER A 67 16.226 10.136 -8.039 1.00 0.00 H new ATOM 0 HG SER A 67 14.615 10.408 -9.689 1.00 0.00 H new ATOM 975 N GLY A 68 18.124 7.588 -8.576 1.00 0.00 N ATOM 976 CA GLY A 68 19.573 7.534 -8.492 1.00 0.00 C ATOM 977 C GLY A 68 20.028 6.372 -7.606 1.00 0.00 C ATOM 978 O GLY A 68 20.143 5.239 -8.072 1.00 0.00 O ATOM 0 H GLY A 68 17.736 7.270 -9.464 1.00 0.00 H new ATOM 0 HA2 GLY A 68 19.995 7.421 -9.491 1.00 0.00 H new ATOM 0 HA3 GLY A 68 19.953 8.473 -8.090 1.00 0.00 H new TER 982 GLY A 68