USER MOD reduce.3.24.130724 H: found=0, std=0, add=406, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD NoAdj-H: A 32 HIS HD1 : A 32 HIS ND1 : A 201 ZNZN :(H bumps) 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= -0.0155 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 8 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-2.3) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 65:sc= 1.14 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 0:sc= -0.841 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 MET CE :methyl 178:sc= -1.32 (180deg=-1.36) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -26.078 3.781 12.254 1.00 0.00 N ATOM 2 CA GLY A 1 -24.748 3.218 12.113 1.00 0.00 C ATOM 3 C GLY A 1 -23.731 3.902 13.005 1.00 0.00 C ATOM 4 O GLY A 1 -23.858 3.886 14.229 1.00 0.00 O ATOM 0 H1 GLY A 1 -26.736 3.279 11.624 1.00 0.00 H new ATOM 0 H2 GLY A 1 -26.396 3.678 13.239 1.00 0.00 H new ATOM 0 H3 GLY A 1 -26.057 4.789 12.000 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -24.780 2.155 12.352 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.430 3.302 11.074 1.00 0.00 H new ATOM 8 N SER A 2 -22.718 4.505 12.391 1.00 0.00 N ATOM 9 CA SER A 2 -21.671 5.193 13.137 1.00 0.00 C ATOM 10 C SER A 2 -20.929 4.224 14.052 1.00 0.00 C ATOM 11 O SER A 2 -21.115 4.235 15.269 1.00 0.00 O ATOM 12 CB SER A 2 -22.271 6.334 13.963 1.00 0.00 C ATOM 13 OG SER A 2 -23.357 6.939 13.283 1.00 0.00 O ATOM 0 H SER A 2 -22.600 4.531 11.378 1.00 0.00 H new ATOM 0 HA SER A 2 -20.960 5.606 12.421 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.609 5.951 14.926 1.00 0.00 H new ATOM 0 HB3 SER A 2 -21.504 7.081 14.168 1.00 0.00 H new ATOM 0 HG SER A 2 -23.724 7.663 13.832 1.00 0.00 H new ATOM 19 N SER A 3 -20.087 3.385 13.457 1.00 0.00 N ATOM 20 CA SER A 3 -19.319 2.406 14.216 1.00 0.00 C ATOM 21 C SER A 3 -17.939 2.200 13.598 1.00 0.00 C ATOM 22 O SER A 3 -17.369 1.113 13.674 1.00 0.00 O ATOM 23 CB SER A 3 -20.068 1.073 14.275 1.00 0.00 C ATOM 24 OG SER A 3 -21.429 1.237 13.915 1.00 0.00 O ATOM 0 H SER A 3 -19.920 3.364 12.451 1.00 0.00 H new ATOM 0 HA SER A 3 -19.191 2.788 15.229 1.00 0.00 H new ATOM 0 HB2 SER A 3 -19.595 0.356 13.604 1.00 0.00 H new ATOM 0 HB3 SER A 3 -20.002 0.659 15.281 1.00 0.00 H new ATOM 0 HG SER A 3 -21.886 0.371 13.959 1.00 0.00 H new ATOM 30 N GLY A 4 -17.409 3.253 12.984 1.00 0.00 N ATOM 31 CA GLY A 4 -16.101 3.168 12.361 1.00 0.00 C ATOM 32 C GLY A 4 -16.151 2.514 10.995 1.00 0.00 C ATOM 33 O GLY A 4 -17.220 2.124 10.524 1.00 0.00 O ATOM 0 H GLY A 4 -17.862 4.164 12.907 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -15.682 4.170 12.266 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.430 2.602 13.007 1.00 0.00 H new ATOM 37 N SER A 5 -14.992 2.393 10.355 1.00 0.00 N ATOM 38 CA SER A 5 -14.909 1.786 9.032 1.00 0.00 C ATOM 39 C SER A 5 -14.169 0.453 9.092 1.00 0.00 C ATOM 40 O SER A 5 -14.638 -0.555 8.563 1.00 0.00 O ATOM 41 CB SER A 5 -14.204 2.731 8.057 1.00 0.00 C ATOM 42 OG SER A 5 -14.945 2.873 6.858 1.00 0.00 O ATOM 0 H SER A 5 -14.098 2.707 10.732 1.00 0.00 H new ATOM 0 HA SER A 5 -15.924 1.603 8.679 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.071 3.707 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.209 2.348 7.830 1.00 0.00 H new ATOM 0 HG SER A 5 -14.474 3.483 6.253 1.00 0.00 H new ATOM 48 N SER A 6 -13.008 0.456 9.740 1.00 0.00 N ATOM 49 CA SER A 6 -12.200 -0.751 9.866 1.00 0.00 C ATOM 50 C SER A 6 -11.741 -1.243 8.497 1.00 0.00 C ATOM 51 O SER A 6 -12.113 -0.683 7.467 1.00 0.00 O ATOM 52 CB SER A 6 -12.993 -1.849 10.576 1.00 0.00 C ATOM 53 OG SER A 6 -12.178 -2.553 11.497 1.00 0.00 O ATOM 0 H SER A 6 -12.606 1.281 10.186 1.00 0.00 H new ATOM 0 HA SER A 6 -11.319 -0.508 10.459 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.841 -1.408 11.099 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.398 -2.543 9.840 1.00 0.00 H new ATOM 0 HG SER A 6 -12.709 -3.248 11.939 1.00 0.00 H new ATOM 59 N GLY A 7 -10.928 -2.295 8.495 1.00 0.00 N ATOM 60 CA GLY A 7 -10.431 -2.846 7.248 1.00 0.00 C ATOM 61 C GLY A 7 -9.213 -2.106 6.732 1.00 0.00 C ATOM 62 O GLY A 7 -9.128 -1.785 5.546 1.00 0.00 O ATOM 0 H GLY A 7 -10.605 -2.775 9.335 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -10.179 -3.897 7.393 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -11.220 -2.808 6.497 1.00 0.00 H new ATOM 66 N HIS A 8 -8.266 -1.833 7.625 1.00 0.00 N ATOM 67 CA HIS A 8 -7.047 -1.124 7.253 1.00 0.00 C ATOM 68 C HIS A 8 -7.372 0.237 6.647 1.00 0.00 C ATOM 69 O HIS A 8 -8.521 0.678 6.670 1.00 0.00 O ATOM 70 CB HIS A 8 -6.231 -1.955 6.262 1.00 0.00 C ATOM 71 CG HIS A 8 -6.041 -3.378 6.688 1.00 0.00 C ATOM 72 ND1 HIS A 8 -5.963 -3.765 8.009 1.00 0.00 N ATOM 73 CD2 HIS A 8 -5.914 -4.511 5.958 1.00 0.00 C ATOM 74 CE1 HIS A 8 -5.795 -5.073 8.074 1.00 0.00 C ATOM 75 NE2 HIS A 8 -5.762 -5.551 6.843 1.00 0.00 N ATOM 0 H HIS A 8 -8.320 -2.092 8.610 1.00 0.00 H new ATOM 0 HA HIS A 8 -6.458 -0.967 8.157 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.727 -1.938 5.291 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -5.254 -1.491 6.129 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -5.929 -4.584 4.881 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.701 -5.654 8.980 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.643 -6.532 6.591 1.00 0.00 H new ATOM 83 N GLU A 9 -6.353 0.898 6.106 1.00 0.00 N ATOM 84 CA GLU A 9 -6.533 2.210 5.496 1.00 0.00 C ATOM 85 C GLU A 9 -7.535 2.143 4.347 1.00 0.00 C ATOM 86 O GLU A 9 -8.119 1.093 4.079 1.00 0.00 O ATOM 87 CB GLU A 9 -5.193 2.748 4.988 1.00 0.00 C ATOM 88 CG GLU A 9 -4.065 2.625 5.998 1.00 0.00 C ATOM 89 CD GLU A 9 -2.857 3.463 5.629 1.00 0.00 C ATOM 90 OE1 GLU A 9 -2.758 3.877 4.455 1.00 0.00 O ATOM 91 OE2 GLU A 9 -2.010 3.704 6.514 1.00 0.00 O ATOM 0 H GLU A 9 -5.396 0.547 6.078 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.924 2.886 6.257 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.917 2.212 4.080 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.312 3.797 4.715 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.427 2.929 6.980 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.767 1.580 6.078 1.00 0.00 H new ATOM 98 N ASP A 10 -7.729 3.271 3.673 1.00 0.00 N ATOM 99 CA ASP A 10 -8.660 3.342 2.553 1.00 0.00 C ATOM 100 C ASP A 10 -8.196 4.368 1.524 1.00 0.00 C ATOM 101 O ASP A 10 -9.003 4.927 0.781 1.00 0.00 O ATOM 102 CB ASP A 10 -10.063 3.698 3.049 1.00 0.00 C ATOM 103 CG ASP A 10 -10.720 2.554 3.795 1.00 0.00 C ATOM 104 OD1 ASP A 10 -10.807 1.447 3.225 1.00 0.00 O ATOM 105 OD2 ASP A 10 -11.149 2.767 4.949 1.00 0.00 O ATOM 0 H ASP A 10 -7.254 4.149 3.883 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.689 2.363 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -10.004 4.568 3.703 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -10.685 3.979 2.199 1.00 0.00 H new ATOM 110 N PHE A 11 -6.890 4.612 1.487 1.00 0.00 N ATOM 111 CA PHE A 11 -6.317 5.572 0.551 1.00 0.00 C ATOM 112 C PHE A 11 -4.930 5.128 0.096 1.00 0.00 C ATOM 113 O PHE A 11 -4.151 4.586 0.881 1.00 0.00 O ATOM 114 CB PHE A 11 -6.236 6.958 1.195 1.00 0.00 C ATOM 115 CG PHE A 11 -7.496 7.363 1.904 1.00 0.00 C ATOM 116 CD1 PHE A 11 -7.680 7.061 3.244 1.00 0.00 C ATOM 117 CD2 PHE A 11 -8.496 8.048 1.232 1.00 0.00 C ATOM 118 CE1 PHE A 11 -8.839 7.433 3.899 1.00 0.00 C ATOM 119 CE2 PHE A 11 -9.657 8.422 1.882 1.00 0.00 C ATOM 120 CZ PHE A 11 -9.828 8.115 3.218 1.00 0.00 C ATOM 0 H PHE A 11 -6.208 4.158 2.095 1.00 0.00 H new ATOM 0 HA PHE A 11 -6.967 5.622 -0.322 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -5.409 6.973 1.904 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -6.009 7.695 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -6.909 6.529 3.782 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -8.367 8.292 0.188 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.971 7.190 4.943 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -10.429 8.954 1.346 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.733 8.408 3.729 1.00 0.00 H new ATOM 130 N CYS A 12 -4.628 5.361 -1.177 1.00 0.00 N ATOM 131 CA CYS A 12 -3.337 4.985 -1.739 1.00 0.00 C ATOM 132 C CYS A 12 -2.194 5.528 -0.885 1.00 0.00 C ATOM 133 O CYS A 12 -2.222 6.679 -0.450 1.00 0.00 O ATOM 134 CB CYS A 12 -3.209 5.506 -3.171 1.00 0.00 C ATOM 135 SG CYS A 12 -1.718 4.927 -4.043 1.00 0.00 S ATOM 0 H CYS A 12 -5.261 5.809 -1.839 1.00 0.00 H new ATOM 0 HA CYS A 12 -3.276 3.897 -1.749 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -4.089 5.201 -3.737 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -3.205 6.596 -3.151 1.00 0.00 H new ATOM 140 N SER A 13 -1.190 4.690 -0.649 1.00 0.00 N ATOM 141 CA SER A 13 -0.039 5.083 0.155 1.00 0.00 C ATOM 142 C SER A 13 1.098 5.585 -0.731 1.00 0.00 C ATOM 143 O SER A 13 2.269 5.309 -0.473 1.00 0.00 O ATOM 144 CB SER A 13 0.444 3.906 1.004 1.00 0.00 C ATOM 145 OG SER A 13 -0.341 3.766 2.176 1.00 0.00 O ATOM 0 H SER A 13 -1.150 3.734 -1.003 1.00 0.00 H new ATOM 0 HA SER A 13 -0.349 5.894 0.814 1.00 0.00 H new ATOM 0 HB2 SER A 13 0.396 2.988 0.419 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.488 4.056 1.278 1.00 0.00 H new ATOM 0 HG SER A 13 -0.013 3.006 2.700 1.00 0.00 H new ATOM 151 N VAL A 14 0.742 6.323 -1.778 1.00 0.00 N ATOM 152 CA VAL A 14 1.730 6.864 -2.703 1.00 0.00 C ATOM 153 C VAL A 14 1.252 8.179 -3.309 1.00 0.00 C ATOM 154 O VAL A 14 2.005 9.150 -3.386 1.00 0.00 O ATOM 155 CB VAL A 14 2.040 5.871 -3.838 1.00 0.00 C ATOM 156 CG1 VAL A 14 3.048 6.466 -4.809 1.00 0.00 C ATOM 157 CG2 VAL A 14 2.548 4.554 -3.270 1.00 0.00 C ATOM 0 H VAL A 14 -0.224 6.560 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 14 2.639 7.041 -2.128 1.00 0.00 H new ATOM 0 HB VAL A 14 1.118 5.673 -4.385 1.00 0.00 H new ATOM 0 HG11 VAL A 14 3.254 5.749 -5.604 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.641 7.380 -5.241 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.972 6.696 -4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.762 3.864 -4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.458 4.732 -2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.788 4.121 -2.619 1.00 0.00 H new ATOM 167 N CYS A 15 -0.005 8.204 -3.740 1.00 0.00 N ATOM 168 CA CYS A 15 -0.585 9.399 -4.340 1.00 0.00 C ATOM 169 C CYS A 15 -1.732 9.933 -3.488 1.00 0.00 C ATOM 170 O CYS A 15 -2.051 11.122 -3.532 1.00 0.00 O ATOM 171 CB CYS A 15 -1.084 9.094 -5.754 1.00 0.00 C ATOM 172 SG CYS A 15 -2.508 7.960 -5.812 1.00 0.00 S ATOM 0 H CYS A 15 -0.642 7.409 -3.685 1.00 0.00 H new ATOM 0 HA CYS A 15 0.191 10.163 -4.393 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.359 10.030 -6.241 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.266 8.663 -6.331 1.00 0.00 H new ATOM 177 N ARG A 16 -2.350 9.047 -2.714 1.00 0.00 N ATOM 178 CA ARG A 16 -3.462 9.428 -1.852 1.00 0.00 C ATOM 179 C ARG A 16 -4.646 9.922 -2.680 1.00 0.00 C ATOM 180 O ARG A 16 -4.801 11.122 -2.907 1.00 0.00 O ATOM 181 CB ARG A 16 -3.024 10.515 -0.869 1.00 0.00 C ATOM 182 CG ARG A 16 -2.780 10.000 0.540 1.00 0.00 C ATOM 183 CD ARG A 16 -4.032 10.107 1.397 1.00 0.00 C ATOM 184 NE ARG A 16 -3.757 10.718 2.694 1.00 0.00 N ATOM 185 CZ ARG A 16 -3.125 10.094 3.682 1.00 0.00 C ATOM 186 NH1 ARG A 16 -2.705 8.847 3.520 1.00 0.00 N ATOM 187 NH2 ARG A 16 -2.912 10.718 4.833 1.00 0.00 N ATOM 0 H ARG A 16 -2.099 8.060 -2.666 1.00 0.00 H new ATOM 0 HA ARG A 16 -3.774 8.547 -1.292 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.111 10.981 -1.239 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.788 11.292 -0.836 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.455 8.961 0.497 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -1.972 10.568 1.001 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -4.782 10.697 0.870 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.455 9.114 1.547 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.067 11.677 2.850 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.867 8.365 2.636 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.220 8.369 4.280 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.234 11.678 4.960 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.427 10.238 5.591 1.00 0.00 H new ATOM 201 N LYS A 17 -5.478 8.989 -3.128 1.00 0.00 N ATOM 202 CA LYS A 17 -6.648 9.328 -3.930 1.00 0.00 C ATOM 203 C LYS A 17 -7.842 8.462 -3.542 1.00 0.00 C ATOM 204 O LYS A 17 -7.732 7.582 -2.688 1.00 0.00 O ATOM 205 CB LYS A 17 -6.340 9.152 -5.418 1.00 0.00 C ATOM 206 CG LYS A 17 -6.065 10.460 -6.140 1.00 0.00 C ATOM 207 CD LYS A 17 -5.725 10.229 -7.603 1.00 0.00 C ATOM 208 CE LYS A 17 -5.999 11.467 -8.442 1.00 0.00 C ATOM 209 NZ LYS A 17 -7.399 11.494 -8.950 1.00 0.00 N ATOM 0 H LYS A 17 -5.364 7.991 -2.949 1.00 0.00 H new ATOM 0 HA LYS A 17 -6.900 10.371 -3.738 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.475 8.498 -5.527 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -7.181 8.651 -5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.939 11.108 -6.066 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.241 10.980 -5.652 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.675 9.952 -7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.310 9.392 -7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.812 12.359 -7.845 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.307 11.496 -9.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.546 12.353 -9.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.570 10.656 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.060 11.492 -8.147 1.00 0.00 H new ATOM 223 N SER A 18 -8.983 8.716 -4.176 1.00 0.00 N ATOM 224 CA SER A 18 -10.198 7.961 -3.895 1.00 0.00 C ATOM 225 C SER A 18 -10.490 6.966 -5.013 1.00 0.00 C ATOM 226 O SER A 18 -10.163 7.207 -6.175 1.00 0.00 O ATOM 227 CB SER A 18 -11.385 8.911 -3.719 1.00 0.00 C ATOM 228 OG SER A 18 -11.801 9.443 -4.965 1.00 0.00 O ATOM 0 H SER A 18 -9.091 9.439 -4.888 1.00 0.00 H new ATOM 0 HA SER A 18 -10.045 7.406 -2.969 1.00 0.00 H new ATOM 0 HB2 SER A 18 -12.214 8.380 -3.252 1.00 0.00 H new ATOM 0 HB3 SER A 18 -11.108 9.723 -3.047 1.00 0.00 H new ATOM 0 HG SER A 18 -12.561 10.045 -4.826 1.00 0.00 H new ATOM 234 N GLY A 19 -11.109 5.845 -4.654 1.00 0.00 N ATOM 235 CA GLY A 19 -11.435 4.829 -5.637 1.00 0.00 C ATOM 236 C GLY A 19 -11.142 3.427 -5.141 1.00 0.00 C ATOM 237 O GLY A 19 -11.172 3.169 -3.938 1.00 0.00 O ATOM 0 H GLY A 19 -11.390 5.623 -3.699 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -12.491 4.906 -5.898 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.867 5.015 -6.549 1.00 0.00 H new ATOM 241 N GLN A 20 -10.862 2.519 -6.070 1.00 0.00 N ATOM 242 CA GLN A 20 -10.565 1.135 -5.720 1.00 0.00 C ATOM 243 C GLN A 20 -9.093 0.969 -5.357 1.00 0.00 C ATOM 244 O GLN A 20 -8.208 1.419 -6.086 1.00 0.00 O ATOM 245 CB GLN A 20 -10.925 0.205 -6.880 1.00 0.00 C ATOM 246 CG GLN A 20 -11.609 -1.079 -6.441 1.00 0.00 C ATOM 247 CD GLN A 20 -11.704 -2.101 -7.556 1.00 0.00 C ATOM 248 OE1 GLN A 20 -12.030 -1.765 -8.695 1.00 0.00 O ATOM 249 NE2 GLN A 20 -11.418 -3.358 -7.235 1.00 0.00 N ATOM 0 H GLN A 20 -10.835 2.717 -7.070 1.00 0.00 H new ATOM 0 HA GLN A 20 -11.167 0.869 -4.851 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.579 0.737 -7.572 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.017 -0.046 -7.429 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -11.060 -1.510 -5.604 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -12.611 -0.847 -6.080 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.152 -3.592 -6.279 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -11.464 -4.089 -7.945 1.00 0.00 H new ATOM 258 N LEU A 21 -8.838 0.320 -4.226 1.00 0.00 N ATOM 259 CA LEU A 21 -7.472 0.095 -3.765 1.00 0.00 C ATOM 260 C LEU A 21 -7.253 -1.373 -3.412 1.00 0.00 C ATOM 261 O LEU A 21 -8.174 -2.061 -2.970 1.00 0.00 O ATOM 262 CB LEU A 21 -7.171 0.974 -2.550 1.00 0.00 C ATOM 263 CG LEU A 21 -6.414 2.272 -2.833 1.00 0.00 C ATOM 264 CD1 LEU A 21 -6.827 3.356 -1.849 1.00 0.00 C ATOM 265 CD2 LEU A 21 -4.912 2.038 -2.771 1.00 0.00 C ATOM 0 H LEU A 21 -9.558 -0.059 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 21 -6.792 0.361 -4.575 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -8.115 1.225 -2.065 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -6.592 0.387 -1.836 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.668 2.606 -3.839 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.278 4.272 -2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -7.897 3.543 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -6.603 3.030 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.389 2.973 -2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.640 1.680 -1.778 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.629 1.294 -3.515 1.00 0.00 H new ATOM 277 N LEU A 22 -6.027 -1.846 -3.606 1.00 0.00 N ATOM 278 CA LEU A 22 -5.684 -3.231 -3.306 1.00 0.00 C ATOM 279 C LEU A 22 -5.370 -3.406 -1.824 1.00 0.00 C ATOM 280 O LEU A 22 -4.954 -2.462 -1.152 1.00 0.00 O ATOM 281 CB LEU A 22 -4.487 -3.676 -4.148 1.00 0.00 C ATOM 282 CG LEU A 22 -4.395 -5.173 -4.446 1.00 0.00 C ATOM 283 CD1 LEU A 22 -5.630 -5.646 -5.196 1.00 0.00 C ATOM 284 CD2 LEU A 22 -3.135 -5.482 -5.241 1.00 0.00 C ATOM 0 H LEU A 22 -5.253 -1.290 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.545 -3.853 -3.552 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.515 -3.138 -5.096 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.575 -3.371 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 22 -4.344 -5.709 -3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -5.546 -6.714 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -6.517 -5.461 -4.590 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -5.714 -5.103 -6.138 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -3.086 -6.552 -5.444 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.156 -4.934 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.259 -5.181 -4.666 1.00 0.00 H new ATOM 296 N MET A 23 -5.569 -4.619 -1.320 1.00 0.00 N ATOM 297 CA MET A 23 -5.303 -4.918 0.082 1.00 0.00 C ATOM 298 C MET A 23 -4.254 -6.017 0.215 1.00 0.00 C ATOM 299 O MET A 23 -4.246 -6.978 -0.555 1.00 0.00 O ATOM 300 CB MET A 23 -6.593 -5.340 0.789 1.00 0.00 C ATOM 301 CG MET A 23 -7.656 -4.254 0.814 1.00 0.00 C ATOM 302 SD MET A 23 -8.422 -4.069 2.435 1.00 0.00 S ATOM 303 CE MET A 23 -9.828 -3.036 2.030 1.00 0.00 C ATOM 0 H MET A 23 -5.914 -5.411 -1.862 1.00 0.00 H new ATOM 0 HA MET A 23 -4.917 -4.014 0.553 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.998 -6.222 0.292 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.358 -5.631 1.813 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.208 -3.306 0.518 1.00 0.00 H new ATOM 0 HG3 MET A 23 -8.425 -4.487 0.078 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.403 -2.833 2.934 1.00 0.00 H new ATOM 0 HE2 MET A 23 -9.478 -2.096 1.604 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.460 -3.550 1.306 1.00 0.00 H new ATOM 313 N CYS A 24 -3.369 -5.869 1.195 1.00 0.00 N ATOM 314 CA CYS A 24 -2.315 -6.848 1.428 1.00 0.00 C ATOM 315 C CYS A 24 -2.830 -8.012 2.270 1.00 0.00 C ATOM 316 O CYS A 24 -3.674 -7.831 3.148 1.00 0.00 O ATOM 317 CB CYS A 24 -1.123 -6.188 2.125 1.00 0.00 C ATOM 318 SG CYS A 24 0.290 -7.306 2.399 1.00 0.00 S ATOM 0 H CYS A 24 -3.361 -5.080 1.841 1.00 0.00 H new ATOM 0 HA CYS A 24 -1.993 -7.236 0.462 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -0.791 -5.339 1.527 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.451 -5.792 3.086 1.00 0.00 H new ATOM 323 N ASP A 25 -2.315 -9.206 1.996 1.00 0.00 N ATOM 324 CA ASP A 25 -2.721 -10.400 2.728 1.00 0.00 C ATOM 325 C ASP A 25 -1.752 -10.693 3.869 1.00 0.00 C ATOM 326 O ASP A 25 -1.374 -11.843 4.098 1.00 0.00 O ATOM 327 CB ASP A 25 -2.797 -11.601 1.785 1.00 0.00 C ATOM 328 CG ASP A 25 -3.790 -12.646 2.256 1.00 0.00 C ATOM 329 OD1 ASP A 25 -4.713 -12.286 3.017 1.00 0.00 O ATOM 330 OD2 ASP A 25 -3.645 -13.822 1.864 1.00 0.00 O ATOM 0 H ASP A 25 -1.616 -9.372 1.272 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.709 -10.218 3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.078 -11.260 0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -1.810 -12.055 1.699 1.00 0.00 H new ATOM 335 N THR A 26 -1.352 -9.646 4.583 1.00 0.00 N ATOM 336 CA THR A 26 -0.425 -9.791 5.699 1.00 0.00 C ATOM 337 C THR A 26 -0.455 -8.562 6.601 1.00 0.00 C ATOM 338 O THR A 26 -0.882 -8.636 7.754 1.00 0.00 O ATOM 339 CB THR A 26 1.017 -10.016 5.206 1.00 0.00 C ATOM 340 OG1 THR A 26 1.048 -10.030 3.774 1.00 0.00 O ATOM 341 CG2 THR A 26 1.574 -11.326 5.743 1.00 0.00 C ATOM 0 H THR A 26 -1.655 -8.688 4.409 1.00 0.00 H new ATOM 0 HA THR A 26 -0.748 -10.664 6.267 1.00 0.00 H new ATOM 0 HB THR A 26 1.636 -9.198 5.575 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.798 -9.146 3.433 1.00 0.00 H new ATOM 0 HG21 THR A 26 2.593 -11.463 5.382 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.576 -11.301 6.833 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.953 -12.153 5.400 1.00 0.00 H new ATOM 349 N CYS A 27 0.001 -7.433 6.071 1.00 0.00 N ATOM 350 CA CYS A 27 0.026 -6.187 6.828 1.00 0.00 C ATOM 351 C CYS A 27 -1.277 -5.414 6.646 1.00 0.00 C ATOM 352 O CYS A 27 -2.243 -5.928 6.084 1.00 0.00 O ATOM 353 CB CYS A 27 1.210 -5.323 6.389 1.00 0.00 C ATOM 354 SG CYS A 27 1.035 -4.613 4.721 1.00 0.00 S ATOM 0 H CYS A 27 0.359 -7.355 5.119 1.00 0.00 H new ATOM 0 HA CYS A 27 0.137 -6.434 7.884 1.00 0.00 H new ATOM 0 HB2 CYS A 27 1.339 -4.512 7.106 1.00 0.00 H new ATOM 0 HB3 CYS A 27 2.118 -5.926 6.422 1.00 0.00 H new ATOM 359 N SER A 28 -1.294 -4.175 7.128 1.00 0.00 N ATOM 360 CA SER A 28 -2.479 -3.331 7.022 1.00 0.00 C ATOM 361 C SER A 28 -2.177 -2.069 6.218 1.00 0.00 C ATOM 362 O SER A 28 -2.132 -0.968 6.766 1.00 0.00 O ATOM 363 CB SER A 28 -2.987 -2.953 8.414 1.00 0.00 C ATOM 364 OG SER A 28 -1.910 -2.713 9.303 1.00 0.00 O ATOM 0 H SER A 28 -0.502 -3.734 7.595 1.00 0.00 H new ATOM 0 HA SER A 28 -3.252 -3.896 6.502 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.612 -2.063 8.347 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.614 -3.754 8.805 1.00 0.00 H new ATOM 0 HG SER A 28 -2.262 -2.472 10.185 1.00 0.00 H new ATOM 370 N ARG A 29 -1.972 -2.240 4.916 1.00 0.00 N ATOM 371 CA ARG A 29 -1.674 -1.116 4.037 1.00 0.00 C ATOM 372 C ARG A 29 -2.273 -1.336 2.651 1.00 0.00 C ATOM 373 O ARG A 29 -2.223 -2.441 2.109 1.00 0.00 O ATOM 374 CB ARG A 29 -0.161 -0.917 3.924 1.00 0.00 C ATOM 375 CG ARG A 29 0.560 -0.960 5.261 1.00 0.00 C ATOM 376 CD ARG A 29 2.015 -0.539 5.123 1.00 0.00 C ATOM 377 NE ARG A 29 2.624 -0.242 6.417 1.00 0.00 N ATOM 378 CZ ARG A 29 3.936 -0.189 6.616 1.00 0.00 C ATOM 379 NH1 ARG A 29 4.773 -0.411 5.612 1.00 0.00 N ATOM 380 NH2 ARG A 29 4.414 0.088 7.823 1.00 0.00 N ATOM 0 H ARG A 29 -2.007 -3.145 4.447 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.121 -0.221 4.469 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.251 -1.689 3.274 1.00 0.00 H new ATOM 0 HB3 ARG A 29 0.036 0.042 3.445 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.055 -0.303 5.969 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.509 -1.969 5.671 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.577 -1.333 4.632 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.079 0.340 4.482 1.00 0.00 H new ATOM 0 HE ARG A 29 2.008 -0.066 7.211 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.410 -0.623 4.683 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.780 -0.369 5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.774 0.260 8.598 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.422 0.129 7.975 1.00 0.00 H new ATOM 394 N VAL A 30 -2.841 -0.277 2.082 1.00 0.00 N ATOM 395 CA VAL A 30 -3.451 -0.355 0.760 1.00 0.00 C ATOM 396 C VAL A 30 -2.570 0.313 -0.290 1.00 0.00 C ATOM 397 O VAL A 30 -1.846 1.264 0.005 1.00 0.00 O ATOM 398 CB VAL A 30 -4.841 0.307 0.743 1.00 0.00 C ATOM 399 CG1 VAL A 30 -5.807 -0.457 1.635 1.00 0.00 C ATOM 400 CG2 VAL A 30 -4.743 1.763 1.174 1.00 0.00 C ATOM 0 H VAL A 30 -2.891 0.645 2.516 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.558 -1.413 0.522 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.225 0.279 -0.277 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.784 0.026 1.610 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.900 -1.482 1.277 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.431 -0.463 2.658 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.735 2.215 1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.338 1.817 2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.086 2.301 0.491 1.00 0.00 H new ATOM 410 N TYR A 31 -2.636 -0.192 -1.517 1.00 0.00 N ATOM 411 CA TYR A 31 -1.843 0.353 -2.612 1.00 0.00 C ATOM 412 C TYR A 31 -2.570 0.193 -3.944 1.00 0.00 C ATOM 413 O TYR A 31 -3.105 -0.874 -4.248 1.00 0.00 O ATOM 414 CB TYR A 31 -0.480 -0.337 -2.676 1.00 0.00 C ATOM 415 CG TYR A 31 0.269 -0.321 -1.362 1.00 0.00 C ATOM 416 CD1 TYR A 31 1.044 0.771 -0.995 1.00 0.00 C ATOM 417 CD2 TYR A 31 0.200 -1.399 -0.488 1.00 0.00 C ATOM 418 CE1 TYR A 31 1.731 0.789 0.204 1.00 0.00 C ATOM 419 CE2 TYR A 31 0.881 -1.389 0.714 1.00 0.00 C ATOM 420 CZ TYR A 31 1.646 -0.293 1.055 1.00 0.00 C ATOM 421 OH TYR A 31 2.327 -0.278 2.251 1.00 0.00 O ATOM 0 H TYR A 31 -3.231 -0.978 -1.778 1.00 0.00 H new ATOM 0 HA TYR A 31 -1.695 1.417 -2.425 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -0.620 -1.371 -2.992 1.00 0.00 H new ATOM 0 HB3 TYR A 31 0.129 0.150 -3.438 1.00 0.00 H new ATOM 0 HD1 TYR A 31 1.111 1.621 -1.658 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.396 -2.260 -0.753 1.00 0.00 H new ATOM 0 HE1 TYR A 31 2.331 1.646 0.473 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.815 -2.234 1.383 1.00 0.00 H new ATOM 0 HH TYR A 31 2.816 0.567 2.338 1.00 0.00 H new ATOM 431 N HIS A 32 -2.583 1.260 -4.736 1.00 0.00 N ATOM 432 CA HIS A 32 -3.242 1.239 -6.037 1.00 0.00 C ATOM 433 C HIS A 32 -2.668 0.134 -6.919 1.00 0.00 C ATOM 434 O HIS A 32 -1.769 -0.600 -6.506 1.00 0.00 O ATOM 435 CB HIS A 32 -3.091 2.592 -6.732 1.00 0.00 C ATOM 436 CG HIS A 32 -4.183 3.562 -6.398 1.00 0.00 C ATOM 437 ND1 HIS A 32 -4.013 4.930 -6.441 1.00 0.00 N ATOM 438 CD2 HIS A 32 -5.465 3.355 -6.017 1.00 0.00 C ATOM 439 CE1 HIS A 32 -5.143 5.522 -6.099 1.00 0.00 C ATOM 440 NE2 HIS A 32 -6.040 4.589 -5.837 1.00 0.00 N ATOM 0 H HIS A 32 -2.145 2.150 -4.500 1.00 0.00 H new ATOM 0 HA HIS A 32 -4.301 1.039 -5.876 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.131 3.028 -6.455 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.071 2.437 -7.811 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.946 2.398 -5.880 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -5.306 6.588 -6.043 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.004 4.758 -5.548 1.00 0.00 H new ATOM 448 N LEU A 33 -3.194 0.020 -8.134 1.00 0.00 N ATOM 449 CA LEU A 33 -2.734 -0.996 -9.074 1.00 0.00 C ATOM 450 C LEU A 33 -1.606 -0.458 -9.948 1.00 0.00 C ATOM 451 O LEU A 33 -0.779 -1.220 -10.450 1.00 0.00 O ATOM 452 CB LEU A 33 -3.895 -1.468 -9.952 1.00 0.00 C ATOM 453 CG LEU A 33 -4.720 -2.633 -9.404 1.00 0.00 C ATOM 454 CD1 LEU A 33 -5.913 -2.912 -10.305 1.00 0.00 C ATOM 455 CD2 LEU A 33 -3.856 -3.878 -9.260 1.00 0.00 C ATOM 0 H LEU A 33 -3.939 0.618 -8.491 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.353 -1.841 -8.501 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.563 -0.624 -10.121 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.495 -1.758 -10.924 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.092 -2.357 -8.417 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.489 -3.744 -9.899 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.545 -2.025 -10.357 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.562 -3.167 -11.305 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.460 -4.697 -8.869 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.454 -4.157 -10.234 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.034 -3.673 -8.574 1.00 0.00 H new ATOM 467 N ASP A 34 -1.578 0.858 -10.125 1.00 0.00 N ATOM 468 CA ASP A 34 -0.549 1.499 -10.936 1.00 0.00 C ATOM 469 C ASP A 34 0.532 2.115 -10.055 1.00 0.00 C ATOM 470 O ASP A 34 1.647 2.372 -10.510 1.00 0.00 O ATOM 471 CB ASP A 34 -1.170 2.574 -11.830 1.00 0.00 C ATOM 472 CG ASP A 34 -1.558 2.040 -13.194 1.00 0.00 C ATOM 473 OD1 ASP A 34 -0.722 1.361 -13.826 1.00 0.00 O ATOM 474 OD2 ASP A 34 -2.699 2.300 -13.631 1.00 0.00 O ATOM 0 H ASP A 34 -2.256 1.502 -9.718 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.089 0.736 -11.564 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.052 2.985 -11.340 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.462 3.394 -11.952 1.00 0.00 H new ATOM 479 N CYS A 35 0.196 2.350 -8.791 1.00 0.00 N ATOM 480 CA CYS A 35 1.136 2.938 -7.845 1.00 0.00 C ATOM 481 C CYS A 35 1.793 1.858 -6.990 1.00 0.00 C ATOM 482 O CYS A 35 1.704 1.884 -5.761 1.00 0.00 O ATOM 483 CB CYS A 35 0.424 3.952 -6.948 1.00 0.00 C ATOM 484 SG CYS A 35 -0.637 5.126 -7.850 1.00 0.00 S ATOM 0 H CYS A 35 -0.722 2.142 -8.398 1.00 0.00 H new ATOM 0 HA CYS A 35 1.913 3.450 -8.413 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -0.184 3.414 -6.221 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.172 4.512 -6.386 1.00 0.00 H new ATOM 489 N LEU A 36 2.452 0.910 -7.647 1.00 0.00 N ATOM 490 CA LEU A 36 3.125 -0.179 -6.947 1.00 0.00 C ATOM 491 C LEU A 36 4.616 -0.195 -7.271 1.00 0.00 C ATOM 492 O LEU A 36 5.110 0.655 -8.011 1.00 0.00 O ATOM 493 CB LEU A 36 2.495 -1.520 -7.326 1.00 0.00 C ATOM 494 CG LEU A 36 1.178 -1.864 -6.628 1.00 0.00 C ATOM 495 CD1 LEU A 36 0.647 -3.202 -7.119 1.00 0.00 C ATOM 496 CD2 LEU A 36 1.365 -1.884 -5.118 1.00 0.00 C ATOM 0 H LEU A 36 2.535 0.873 -8.663 1.00 0.00 H new ATOM 0 HA LEU A 36 3.007 -0.018 -5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.325 -1.528 -8.403 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.214 -2.310 -7.111 1.00 0.00 H new ATOM 0 HG LEU A 36 0.447 -1.094 -6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.290 -3.430 -6.611 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.475 -3.153 -8.194 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.376 -3.984 -6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.418 -2.130 -4.637 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.112 -2.633 -4.854 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.699 -0.903 -4.780 1.00 0.00 H new ATOM 508 N ASP A 37 5.326 -1.169 -6.712 1.00 0.00 N ATOM 509 CA ASP A 37 6.760 -1.298 -6.944 1.00 0.00 C ATOM 510 C ASP A 37 7.191 -2.761 -6.882 1.00 0.00 C ATOM 511 O ASP A 37 7.437 -3.316 -5.810 1.00 0.00 O ATOM 512 CB ASP A 37 7.540 -0.480 -5.914 1.00 0.00 C ATOM 513 CG ASP A 37 8.899 -0.047 -6.428 1.00 0.00 C ATOM 514 OD1 ASP A 37 8.944 0.778 -7.365 1.00 0.00 O ATOM 515 OD2 ASP A 37 9.918 -0.531 -5.893 1.00 0.00 O ATOM 0 H ASP A 37 4.932 -1.880 -6.096 1.00 0.00 H new ATOM 0 HA ASP A 37 6.978 -0.915 -7.941 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.961 0.402 -5.640 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.669 -1.071 -5.007 1.00 0.00 H new ATOM 520 N PRO A 38 7.284 -3.401 -8.056 1.00 0.00 N ATOM 521 CA PRO A 38 6.993 -2.750 -9.338 1.00 0.00 C ATOM 522 C PRO A 38 5.509 -2.446 -9.510 1.00 0.00 C ATOM 523 O PRO A 38 4.662 -2.919 -8.752 1.00 0.00 O ATOM 524 CB PRO A 38 7.451 -3.783 -10.371 1.00 0.00 C ATOM 525 CG PRO A 38 7.358 -5.092 -9.666 1.00 0.00 C ATOM 526 CD PRO A 38 7.679 -4.809 -8.225 1.00 0.00 C ATOM 0 HA PRO A 38 7.492 -1.785 -9.429 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.816 -3.765 -11.257 1.00 0.00 H new ATOM 0 HB3 PRO A 38 8.470 -3.585 -10.704 1.00 0.00 H new ATOM 0 HG2 PRO A 38 6.361 -5.520 -9.767 1.00 0.00 H new ATOM 0 HG3 PRO A 38 8.058 -5.813 -10.088 1.00 0.00 H new ATOM 0 HD2 PRO A 38 7.125 -5.465 -7.554 1.00 0.00 H new ATOM 0 HD3 PRO A 38 8.738 -4.957 -8.013 1.00 0.00 H new ATOM 534 N PRO A 39 5.184 -1.638 -10.530 1.00 0.00 N ATOM 535 CA PRO A 39 3.801 -1.253 -10.825 1.00 0.00 C ATOM 536 C PRO A 39 2.976 -2.420 -11.359 1.00 0.00 C ATOM 537 O PRO A 39 3.518 -3.367 -11.929 1.00 0.00 O ATOM 538 CB PRO A 39 3.955 -0.172 -11.898 1.00 0.00 C ATOM 539 CG PRO A 39 5.261 -0.470 -12.551 1.00 0.00 C ATOM 540 CD PRO A 39 6.142 -1.038 -11.473 1.00 0.00 C ATOM 0 HA PRO A 39 3.273 -0.916 -9.933 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.136 -0.208 -12.616 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.950 0.826 -11.459 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.136 -1.181 -13.368 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.699 0.432 -12.978 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.834 -1.781 -11.870 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.744 -0.264 -10.997 1.00 0.00 H new ATOM 548 N LEU A 40 1.663 -2.345 -11.170 1.00 0.00 N ATOM 549 CA LEU A 40 0.763 -3.395 -11.633 1.00 0.00 C ATOM 550 C LEU A 40 -0.229 -2.850 -12.656 1.00 0.00 C ATOM 551 O LEU A 40 -0.217 -1.661 -12.977 1.00 0.00 O ATOM 552 CB LEU A 40 0.009 -4.006 -10.451 1.00 0.00 C ATOM 553 CG LEU A 40 0.555 -5.332 -9.920 1.00 0.00 C ATOM 554 CD1 LEU A 40 -0.265 -5.809 -8.731 1.00 0.00 C ATOM 555 CD2 LEU A 40 0.565 -6.383 -11.020 1.00 0.00 C ATOM 0 H LEU A 40 1.198 -1.568 -10.700 1.00 0.00 H new ATOM 0 HA LEU A 40 1.363 -4.168 -12.112 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.007 -3.284 -9.635 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.029 -4.156 -10.746 1.00 0.00 H new ATOM 0 HG LEU A 40 1.581 -5.174 -9.587 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.138 -6.754 -8.367 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.220 -5.065 -7.936 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.301 -5.951 -9.037 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.957 -7.320 -10.624 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.451 -6.539 -11.384 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.196 -6.044 -11.841 1.00 0.00 H new ATOM 567 N LYS A 41 -1.089 -3.726 -13.164 1.00 0.00 N ATOM 568 CA LYS A 41 -2.091 -3.334 -14.148 1.00 0.00 C ATOM 569 C LYS A 41 -3.431 -4.000 -13.855 1.00 0.00 C ATOM 570 O LYS A 41 -4.381 -3.346 -13.422 1.00 0.00 O ATOM 571 CB LYS A 41 -1.623 -3.703 -15.557 1.00 0.00 C ATOM 572 CG LYS A 41 -2.599 -3.296 -16.648 1.00 0.00 C ATOM 573 CD LYS A 41 -2.407 -1.845 -17.056 1.00 0.00 C ATOM 574 CE LYS A 41 -1.138 -1.660 -17.874 1.00 0.00 C ATOM 575 NZ LYS A 41 -1.288 -0.588 -18.896 1.00 0.00 N ATOM 0 H LYS A 41 -1.112 -4.714 -12.910 1.00 0.00 H new ATOM 0 HA LYS A 41 -2.221 -2.254 -14.086 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.660 -3.229 -15.747 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.463 -4.780 -15.607 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.464 -3.940 -17.517 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.620 -3.444 -16.297 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.267 -1.512 -17.637 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.362 -1.218 -16.165 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.310 -1.414 -17.209 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.884 -2.598 -18.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.402 -0.493 -19.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.061 -0.834 -19.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.506 0.313 -18.425 1.00 0.00 H new ATOM 589 N THR A 42 -3.502 -5.307 -14.092 1.00 0.00 N ATOM 590 CA THR A 42 -4.726 -6.062 -13.853 1.00 0.00 C ATOM 591 C THR A 42 -4.724 -6.687 -12.463 1.00 0.00 C ATOM 592 O THR A 42 -3.845 -6.405 -11.647 1.00 0.00 O ATOM 593 CB THR A 42 -4.914 -7.173 -14.903 1.00 0.00 C ATOM 594 OG1 THR A 42 -3.948 -8.210 -14.697 1.00 0.00 O ATOM 595 CG2 THR A 42 -4.775 -6.616 -16.311 1.00 0.00 C ATOM 0 H THR A 42 -2.726 -5.864 -14.449 1.00 0.00 H new ATOM 0 HA THR A 42 -5.553 -5.356 -13.929 1.00 0.00 H new ATOM 0 HB THR A 42 -5.917 -7.584 -14.790 1.00 0.00 H new ATOM 0 HG1 THR A 42 -4.075 -8.913 -15.367 1.00 0.00 H new ATOM 0 HG21 THR A 42 -4.912 -7.419 -17.035 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.531 -5.848 -16.474 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.783 -6.181 -16.434 1.00 0.00 H new ATOM 603 N ILE A 43 -5.711 -7.536 -12.199 1.00 0.00 N ATOM 604 CA ILE A 43 -5.821 -8.202 -10.907 1.00 0.00 C ATOM 605 C ILE A 43 -4.741 -9.265 -10.743 1.00 0.00 C ATOM 606 O ILE A 43 -4.717 -10.275 -11.446 1.00 0.00 O ATOM 607 CB ILE A 43 -7.203 -8.858 -10.728 1.00 0.00 C ATOM 608 CG1 ILE A 43 -8.311 -7.814 -10.879 1.00 0.00 C ATOM 609 CG2 ILE A 43 -7.293 -9.542 -9.372 1.00 0.00 C ATOM 610 CD1 ILE A 43 -8.208 -6.676 -9.888 1.00 0.00 C ATOM 0 H ILE A 43 -6.446 -7.779 -12.863 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.691 -7.435 -10.144 1.00 0.00 H new ATOM 0 HB ILE A 43 -7.333 -9.613 -11.503 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -8.281 -7.408 -11.890 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -9.278 -8.303 -10.760 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.275 -10.001 -9.260 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.523 -10.310 -9.300 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.145 -8.805 -8.582 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.025 -5.974 -10.054 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -8.268 -7.070 -8.874 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -7.256 -6.162 -10.022 1.00 0.00 H new ATOM 622 N PRO A 44 -3.824 -9.035 -9.791 1.00 0.00 N ATOM 623 CA PRO A 44 -2.725 -9.963 -9.510 1.00 0.00 C ATOM 624 C PRO A 44 -3.209 -11.258 -8.868 1.00 0.00 C ATOM 625 O PRO A 44 -3.248 -11.380 -7.643 1.00 0.00 O ATOM 626 CB PRO A 44 -1.841 -9.181 -8.535 1.00 0.00 C ATOM 627 CG PRO A 44 -2.765 -8.214 -7.877 1.00 0.00 C ATOM 628 CD PRO A 44 -3.791 -7.851 -8.915 1.00 0.00 C ATOM 0 HA PRO A 44 -2.210 -10.272 -10.420 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -1.375 -9.843 -7.805 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -1.035 -8.666 -9.058 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.237 -8.659 -7.001 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -2.226 -7.330 -7.535 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -4.765 -7.656 -8.466 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.507 -6.953 -9.464 1.00 0.00 H new ATOM 636 N LYS A 45 -3.579 -12.224 -9.702 1.00 0.00 N ATOM 637 CA LYS A 45 -4.059 -13.512 -9.217 1.00 0.00 C ATOM 638 C LYS A 45 -3.081 -14.116 -8.214 1.00 0.00 C ATOM 639 O LYS A 45 -1.924 -13.704 -8.136 1.00 0.00 O ATOM 640 CB LYS A 45 -4.267 -14.476 -10.387 1.00 0.00 C ATOM 641 CG LYS A 45 -5.433 -14.100 -11.285 1.00 0.00 C ATOM 642 CD LYS A 45 -6.381 -15.271 -11.487 1.00 0.00 C ATOM 643 CE LYS A 45 -7.702 -14.819 -12.090 1.00 0.00 C ATOM 644 NZ LYS A 45 -8.578 -15.974 -12.435 1.00 0.00 N ATOM 0 H LYS A 45 -3.555 -12.139 -10.718 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.012 -13.349 -8.714 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.356 -14.511 -10.984 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.430 -15.480 -9.995 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.976 -13.263 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.056 -13.765 -12.251 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -5.915 -16.009 -12.140 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.565 -15.761 -10.531 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.219 -14.168 -11.385 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -7.509 -14.229 -12.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.468 -15.625 -12.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.095 -16.582 -13.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.783 -16.523 -11.576 1.00 0.00 H new ATOM 658 N GLY A 46 -3.552 -15.097 -7.450 1.00 0.00 N ATOM 659 CA GLY A 46 -2.705 -15.742 -6.464 1.00 0.00 C ATOM 660 C GLY A 46 -2.431 -14.855 -5.266 1.00 0.00 C ATOM 661 O GLY A 46 -2.587 -13.636 -5.339 1.00 0.00 O ATOM 0 H GLY A 46 -4.505 -15.457 -7.496 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.180 -16.664 -6.129 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.760 -16.022 -6.929 1.00 0.00 H new ATOM 665 N MET A 47 -2.023 -15.468 -4.159 1.00 0.00 N ATOM 666 CA MET A 47 -1.728 -14.725 -2.940 1.00 0.00 C ATOM 667 C MET A 47 -0.758 -13.582 -3.221 1.00 0.00 C ATOM 668 O MET A 47 0.443 -13.800 -3.383 1.00 0.00 O ATOM 669 CB MET A 47 -1.141 -15.658 -1.878 1.00 0.00 C ATOM 670 CG MET A 47 -0.664 -14.934 -0.630 1.00 0.00 C ATOM 671 SD MET A 47 -0.575 -16.016 0.809 1.00 0.00 S ATOM 672 CE MET A 47 0.867 -15.356 1.641 1.00 0.00 C ATOM 0 H MET A 47 -1.889 -16.476 -4.082 1.00 0.00 H new ATOM 0 HA MET A 47 -2.661 -14.303 -2.567 1.00 0.00 H new ATOM 0 HB2 MET A 47 -1.894 -16.393 -1.596 1.00 0.00 H new ATOM 0 HB3 MET A 47 -0.305 -16.208 -2.311 1.00 0.00 H new ATOM 0 HG2 MET A 47 0.320 -14.504 -0.818 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.338 -14.105 -0.415 1.00 0.00 H new ATOM 0 HE1 MET A 47 1.031 -15.900 2.571 1.00 0.00 H new ATOM 0 HE2 MET A 47 1.740 -15.465 0.998 1.00 0.00 H new ATOM 0 HE3 MET A 47 0.709 -14.300 1.861 1.00 0.00 H new ATOM 682 N TRP A 48 -1.286 -12.364 -3.277 1.00 0.00 N ATOM 683 CA TRP A 48 -0.466 -11.187 -3.539 1.00 0.00 C ATOM 684 C TRP A 48 -0.005 -10.543 -2.236 1.00 0.00 C ATOM 685 O TRP A 48 -0.723 -10.564 -1.235 1.00 0.00 O ATOM 686 CB TRP A 48 -1.246 -10.172 -4.375 1.00 0.00 C ATOM 687 CG TRP A 48 -0.435 -8.973 -4.763 1.00 0.00 C ATOM 688 CD1 TRP A 48 0.390 -8.856 -5.845 1.00 0.00 C ATOM 689 CD2 TRP A 48 -0.371 -7.721 -4.070 1.00 0.00 C ATOM 690 NE1 TRP A 48 0.963 -7.608 -5.866 1.00 0.00 N ATOM 691 CE2 TRP A 48 0.512 -6.892 -4.789 1.00 0.00 C ATOM 692 CE3 TRP A 48 -0.976 -7.220 -2.915 1.00 0.00 C ATOM 693 CZ2 TRP A 48 0.805 -5.592 -4.387 1.00 0.00 C ATOM 694 CZ3 TRP A 48 -0.684 -5.929 -2.517 1.00 0.00 C ATOM 695 CH2 TRP A 48 0.199 -5.126 -3.252 1.00 0.00 C ATOM 0 H TRP A 48 -2.278 -12.166 -3.145 1.00 0.00 H new ATOM 0 HA TRP A 48 0.415 -11.506 -4.096 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -1.613 -10.661 -5.277 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -2.120 -9.844 -3.812 1.00 0.00 H new ATOM 0 HD1 TRP A 48 0.566 -9.631 -6.577 1.00 0.00 H new ATOM 0 HE1 TRP A 48 1.619 -7.269 -6.570 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -1.660 -7.830 -2.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 1.487 -4.973 -4.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -1.144 -5.532 -1.624 1.00 0.00 H new ATOM 0 HH2 TRP A 48 0.405 -4.120 -2.916 1.00 0.00 H new ATOM 706 N ILE A 49 1.194 -9.972 -2.254 1.00 0.00 N ATOM 707 CA ILE A 49 1.749 -9.322 -1.074 1.00 0.00 C ATOM 708 C ILE A 49 2.485 -8.039 -1.447 1.00 0.00 C ATOM 709 O ILE A 49 3.347 -8.039 -2.326 1.00 0.00 O ATOM 710 CB ILE A 49 2.715 -10.253 -0.319 1.00 0.00 C ATOM 711 CG1 ILE A 49 2.030 -11.584 0.000 1.00 0.00 C ATOM 712 CG2 ILE A 49 3.206 -9.586 0.957 1.00 0.00 C ATOM 713 CD1 ILE A 49 2.968 -12.626 0.568 1.00 0.00 C ATOM 0 H ILE A 49 1.800 -9.946 -3.074 1.00 0.00 H new ATOM 0 HA ILE A 49 0.908 -9.080 -0.424 1.00 0.00 H new ATOM 0 HB ILE A 49 3.576 -10.452 -0.957 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.223 -11.407 0.711 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.573 -11.975 -0.909 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.888 -10.257 1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.727 -8.662 0.707 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.355 -9.361 1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.414 -13.543 0.770 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.761 -12.832 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.406 -12.255 1.495 1.00 0.00 H new ATOM 725 N CYS A 50 2.139 -6.948 -0.773 1.00 0.00 N ATOM 726 CA CYS A 50 2.767 -5.658 -1.032 1.00 0.00 C ATOM 727 C CYS A 50 4.288 -5.772 -0.974 1.00 0.00 C ATOM 728 O CYS A 50 4.845 -6.641 -0.304 1.00 0.00 O ATOM 729 CB CYS A 50 2.284 -4.619 -0.018 1.00 0.00 C ATOM 730 SG CYS A 50 2.960 -4.846 1.659 1.00 0.00 S ATOM 0 H CYS A 50 1.427 -6.931 -0.043 1.00 0.00 H new ATOM 0 HA CYS A 50 2.482 -5.338 -2.034 1.00 0.00 H new ATOM 0 HB2 CYS A 50 2.554 -3.625 -0.376 1.00 0.00 H new ATOM 0 HB3 CYS A 50 1.196 -4.655 0.033 1.00 0.00 H new ATOM 735 N PRO A 51 4.976 -4.873 -1.693 1.00 0.00 N ATOM 736 CA PRO A 51 6.441 -4.851 -1.740 1.00 0.00 C ATOM 737 C PRO A 51 7.057 -4.410 -0.417 1.00 0.00 C ATOM 738 O PRO A 51 8.261 -4.556 -0.202 1.00 0.00 O ATOM 739 CB PRO A 51 6.746 -3.829 -2.838 1.00 0.00 C ATOM 740 CG PRO A 51 5.552 -2.938 -2.869 1.00 0.00 C ATOM 741 CD PRO A 51 4.377 -3.808 -2.515 1.00 0.00 C ATOM 0 HA PRO A 51 6.857 -5.840 -1.932 1.00 0.00 H new ATOM 0 HB2 PRO A 51 7.653 -3.267 -2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.901 -4.316 -3.800 1.00 0.00 H new ATOM 0 HG2 PRO A 51 5.658 -2.118 -2.159 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.424 -2.491 -3.855 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.618 -3.253 -1.963 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.893 -4.211 -3.405 1.00 0.00 H new ATOM 749 N ARG A 52 6.224 -3.870 0.468 1.00 0.00 N ATOM 750 CA ARG A 52 6.688 -3.407 1.770 1.00 0.00 C ATOM 751 C ARG A 52 6.893 -4.581 2.723 1.00 0.00 C ATOM 752 O ARG A 52 7.674 -4.496 3.671 1.00 0.00 O ATOM 753 CB ARG A 52 5.686 -2.418 2.370 1.00 0.00 C ATOM 754 CG ARG A 52 6.119 -0.966 2.251 1.00 0.00 C ATOM 755 CD ARG A 52 7.146 -0.602 3.311 1.00 0.00 C ATOM 756 NE ARG A 52 8.510 -0.889 2.873 1.00 0.00 N ATOM 757 CZ ARG A 52 9.555 -0.912 3.692 1.00 0.00 C ATOM 758 NH1 ARG A 52 9.394 -0.666 4.985 1.00 0.00 N ATOM 759 NH2 ARG A 52 10.765 -1.181 3.218 1.00 0.00 N ATOM 0 H ARG A 52 5.225 -3.743 0.306 1.00 0.00 H new ATOM 0 HA ARG A 52 7.645 -2.904 1.629 1.00 0.00 H new ATOM 0 HB2 ARG A 52 4.723 -2.543 1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.536 -2.659 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.539 -0.791 1.261 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.249 -0.317 2.348 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.058 0.457 3.552 1.00 0.00 H new ATOM 0 HD3 ARG A 52 6.935 -1.156 4.226 1.00 0.00 H new ATOM 0 HE ARG A 52 8.668 -1.082 1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.466 -0.458 5.353 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.199 -0.684 5.612 1.00 0.00 H new ATOM 0 HH21 ARG A 52 10.893 -1.370 2.224 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.567 -1.198 3.848 1.00 0.00 H new ATOM 773 N CYS A 53 6.185 -5.676 2.466 1.00 0.00 N ATOM 774 CA CYS A 53 6.287 -6.867 3.300 1.00 0.00 C ATOM 775 C CYS A 53 7.451 -7.747 2.852 1.00 0.00 C ATOM 776 O CYS A 53 8.309 -8.113 3.654 1.00 0.00 O ATOM 777 CB CYS A 53 4.982 -7.664 3.250 1.00 0.00 C ATOM 778 SG CYS A 53 3.700 -7.064 4.397 1.00 0.00 S ATOM 0 H CYS A 53 5.534 -5.763 1.686 1.00 0.00 H new ATOM 0 HA CYS A 53 6.470 -6.547 4.326 1.00 0.00 H new ATOM 0 HB2 CYS A 53 4.589 -7.633 2.234 1.00 0.00 H new ATOM 0 HB3 CYS A 53 5.197 -8.708 3.477 1.00 0.00 H new ATOM 783 N GLN A 54 7.471 -8.081 1.566 1.00 0.00 N ATOM 784 CA GLN A 54 8.529 -8.918 1.011 1.00 0.00 C ATOM 785 C GLN A 54 9.905 -8.364 1.367 1.00 0.00 C ATOM 786 O GLN A 54 10.869 -9.115 1.509 1.00 0.00 O ATOM 787 CB GLN A 54 8.384 -9.018 -0.509 1.00 0.00 C ATOM 788 CG GLN A 54 7.135 -9.762 -0.953 1.00 0.00 C ATOM 789 CD GLN A 54 7.383 -11.242 -1.169 1.00 0.00 C ATOM 790 OE1 GLN A 54 7.769 -11.960 -0.246 1.00 0.00 O ATOM 791 NE2 GLN A 54 7.162 -11.707 -2.393 1.00 0.00 N ATOM 0 H GLN A 54 6.768 -7.785 0.889 1.00 0.00 H new ATOM 0 HA GLN A 54 8.435 -9.914 1.445 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.368 -8.013 -0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 54 9.261 -9.521 -0.917 1.00 0.00 H new ATOM 0 HG2 GLN A 54 6.355 -9.634 -0.203 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.764 -9.321 -1.878 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.842 -11.076 -3.128 1.00 0.00 H new ATOM 0 HE22 GLN A 54 7.312 -12.695 -2.598 1.00 0.00 H new ATOM 800 N ASP A 55 9.987 -7.046 1.510 1.00 0.00 N ATOM 801 CA ASP A 55 11.245 -6.391 1.850 1.00 0.00 C ATOM 802 C ASP A 55 11.084 -5.517 3.091 1.00 0.00 C ATOM 803 O ASP A 55 10.687 -4.357 2.996 1.00 0.00 O ATOM 804 CB ASP A 55 11.738 -5.545 0.676 1.00 0.00 C ATOM 805 CG ASP A 55 11.869 -6.349 -0.603 1.00 0.00 C ATOM 806 OD1 ASP A 55 12.030 -7.584 -0.512 1.00 0.00 O ATOM 807 OD2 ASP A 55 11.810 -5.743 -1.694 1.00 0.00 O ATOM 0 H ASP A 55 9.198 -6.410 1.396 1.00 0.00 H new ATOM 0 HA ASP A 55 11.982 -7.164 2.065 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.047 -4.718 0.513 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.704 -5.108 0.927 1.00 0.00 H new ATOM 812 N GLN A 56 11.395 -6.085 4.252 1.00 0.00 N ATOM 813 CA GLN A 56 11.283 -5.357 5.511 1.00 0.00 C ATOM 814 C GLN A 56 12.194 -4.135 5.516 1.00 0.00 C ATOM 815 O GLN A 56 13.340 -4.236 5.080 1.00 0.00 O ATOM 816 CB GLN A 56 11.631 -6.273 6.686 1.00 0.00 C ATOM 817 CG GLN A 56 10.539 -6.352 7.740 1.00 0.00 C ATOM 818 CD GLN A 56 10.644 -7.599 8.596 1.00 0.00 C ATOM 819 OE1 GLN A 56 11.642 -7.810 9.286 1.00 0.00 O ATOM 820 NE2 GLN A 56 9.612 -8.433 8.557 1.00 0.00 N ATOM 0 H GLN A 56 11.726 -7.045 4.347 1.00 0.00 H new ATOM 0 HA GLN A 56 10.252 -5.019 5.616 1.00 0.00 H new ATOM 0 HB2 GLN A 56 11.832 -7.275 6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 56 12.550 -5.918 7.153 1.00 0.00 H new ATOM 0 HG2 GLN A 56 10.592 -5.471 8.380 1.00 0.00 H new ATOM 0 HG3 GLN A 56 9.565 -6.332 7.251 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.805 -8.219 7.971 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.626 -9.288 9.113 1.00 0.00 H new TER 829 GLN A 56 HETATM 830 ZN ZN A 201 -2.130 5.829 -6.222 1.00 0.00 ZN HETATM 831 ZN ZN A 401 1.962 -6.102 3.144 1.00 0.00 ZN