USER MOD reduce.3.24.130724 H: found=0, std=0, add=625, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 623 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 157:sc= -5.93! (180deg=-8.09!) USER MOD Single : A 1 MET N :NH3+ -153:sc= 1.38 (180deg=-0.429) USER MOD Single : A 8 ASN : amide:sc= -0.342 K(o=-0.34,f=-3!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 150:sc= -1.06 USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 19 SER OG : rot 54:sc= -7.96! USER MOD Single : A 21 THR OG1 : rot 150:sc= -3.59 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= -0.0602 X(o=-0.06,f=-0.018) USER MOD Single : A 27 LYS NZ :NH3+ -118:sc= -1.24 (180deg=-4.08!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.73) USER MOD Single : A 40 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.71) USER MOD Single : A 48 LYS NZ :NH3+ -118:sc= 0.0122 (180deg=-0.0709) USER MOD Single : A 52 ASN : amide:sc= -0.827 X(o=-0.83,f=-0.89) USER MOD Single : A 55 THR OG1 : rot 152:sc= -2.9! USER MOD Single : A 57 GLN : amide:sc= -0.0989 X(o=-0.099,f=0) USER MOD Single : A 58 ASN : amide:sc= -2.75 K(o=-2.7,f=-1.5) USER MOD Single : A 59 CYS SG : rot 93:sc= -3.72! USER MOD Single : A 63 GLN : amide:sc= -0.168 K(o=-0.17,f=-2.3!) USER MOD Single : A 64 GLN : amide:sc= -0.0424 X(o=-0.042,f=0) USER MOD Single : A 65 SER OG : rot -71:sc= -0.673! USER MOD Single : A 68 HIS : no HD1:sc= -0.981 K(o=-0.98,f=-0.17) USER MOD Single : A 71 GLN : amide:sc= -11.6! C(o=-12!,f=-17!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= -0.0695 (180deg=-0.0695) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.163 -16.457 1.626 1.00 0.00 N ATOM 2 CA MET A 1 -0.171 -15.352 0.683 1.00 0.00 C ATOM 3 C MET A 1 0.998 -14.389 0.546 1.00 0.00 C ATOM 4 O MET A 1 1.496 -13.862 1.533 1.00 0.00 O ATOM 5 CB MET A 1 -1.412 -14.583 1.176 1.00 0.00 C ATOM 6 CG MET A 1 -2.270 -15.310 2.210 1.00 0.00 C ATOM 7 SD MET A 1 -1.542 -15.342 3.867 1.00 0.00 S ATOM 8 CE MET A 1 -0.671 -13.776 3.915 1.00 0.00 C ATOM 0 H1 MET A 1 -0.392 -17.302 1.382 1.00 0.00 H new ATOM 0 H2 MET A 1 1.177 -16.678 1.557 1.00 0.00 H new ATOM 0 H3 MET A 1 -0.062 -16.164 2.598 1.00 0.00 H new ATOM 0 HA MET A 1 -0.383 -15.793 -0.291 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.084 -13.635 1.603 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.036 -14.345 0.315 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.247 -14.829 2.261 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.436 -16.334 1.876 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.530 -13.470 4.952 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.301 -13.885 3.433 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.254 -13.019 3.389 1.00 0.00 H new ATOM 18 N ILE A 2 1.435 -14.163 -0.683 1.00 0.00 N ATOM 19 CA ILE A 2 2.543 -13.255 -0.935 1.00 0.00 C ATOM 20 C ILE A 2 2.199 -12.307 -2.071 1.00 0.00 C ATOM 21 O ILE A 2 2.025 -12.745 -3.209 1.00 0.00 O ATOM 22 CB ILE A 2 3.835 -14.024 -1.282 1.00 0.00 C ATOM 23 CG1 ILE A 2 3.559 -15.082 -2.354 1.00 0.00 C ATOM 24 CG2 ILE A 2 4.416 -14.671 -0.035 1.00 0.00 C ATOM 25 CD1 ILE A 2 4.788 -15.865 -2.761 1.00 0.00 C ATOM 0 H ILE A 2 1.041 -14.594 -1.519 1.00 0.00 H new ATOM 0 HA ILE A 2 2.715 -12.685 -0.022 1.00 0.00 H new ATOM 0 HB ILE A 2 4.563 -13.316 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 2 2.803 -15.774 -1.983 1.00 0.00 H new ATOM 0 HG13 ILE A 2 3.140 -14.595 -3.235 1.00 0.00 H new ATOM 0 HG21 ILE A 2 5.327 -15.210 -0.295 1.00 0.00 H new ATOM 0 HG22 ILE A 2 4.648 -13.901 0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 2 3.690 -15.367 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 2 4.518 -16.596 -3.523 1.00 0.00 H new ATOM 0 HD12 ILE A 2 5.538 -15.183 -3.162 1.00 0.00 H new ATOM 0 HD13 ILE A 2 5.195 -16.381 -1.891 1.00 0.00 H new ATOM 37 N VAL A 3 2.090 -11.006 -1.786 1.00 0.00 N ATOM 38 CA VAL A 3 1.758 -10.065 -2.841 1.00 0.00 C ATOM 39 C VAL A 3 2.727 -8.898 -2.865 1.00 0.00 C ATOM 40 O VAL A 3 3.203 -8.458 -1.827 1.00 0.00 O ATOM 41 CB VAL A 3 0.321 -9.542 -2.686 1.00 0.00 C ATOM 42 CG1 VAL A 3 -0.089 -8.718 -3.897 1.00 0.00 C ATOM 43 CG2 VAL A 3 -0.642 -10.699 -2.473 1.00 0.00 C ATOM 0 H VAL A 3 2.223 -10.597 -0.861 1.00 0.00 H new ATOM 0 HA VAL A 3 1.837 -10.602 -3.786 1.00 0.00 H new ATOM 0 HB VAL A 3 0.284 -8.894 -1.810 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.110 -8.359 -3.764 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.584 -7.867 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.036 -9.337 -4.793 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -1.656 -10.313 -2.365 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -0.599 -11.371 -3.330 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -0.363 -11.243 -1.571 1.00 0.00 H new ATOM 53 N PHE A 4 3.019 -8.389 -4.053 1.00 0.00 N ATOM 54 CA PHE A 4 3.928 -7.266 -4.173 1.00 0.00 C ATOM 55 C PHE A 4 3.182 -5.973 -3.893 1.00 0.00 C ATOM 56 O PHE A 4 2.160 -5.695 -4.520 1.00 0.00 O ATOM 57 CB PHE A 4 4.548 -7.226 -5.570 1.00 0.00 C ATOM 58 CG PHE A 4 5.658 -8.220 -5.767 1.00 0.00 C ATOM 59 CD1 PHE A 4 5.480 -9.553 -5.433 1.00 0.00 C ATOM 60 CD2 PHE A 4 6.879 -7.821 -6.287 1.00 0.00 C ATOM 61 CE1 PHE A 4 6.500 -10.469 -5.613 1.00 0.00 C ATOM 62 CE2 PHE A 4 7.902 -8.731 -6.470 1.00 0.00 C ATOM 63 CZ PHE A 4 7.712 -10.058 -6.132 1.00 0.00 C ATOM 0 H PHE A 4 2.643 -8.733 -4.937 1.00 0.00 H new ATOM 0 HA PHE A 4 4.731 -7.382 -3.445 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.769 -7.413 -6.309 1.00 0.00 H new ATOM 0 HB3 PHE A 4 4.932 -6.224 -5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.534 -9.880 -5.028 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.033 -6.785 -6.553 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.349 -11.505 -5.348 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.849 -8.406 -6.876 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.510 -10.772 -6.274 1.00 0.00 H new ATOM 73 N VAL A 5 3.691 -5.170 -2.964 1.00 0.00 N ATOM 74 CA VAL A 5 3.043 -3.907 -2.648 1.00 0.00 C ATOM 75 C VAL A 5 3.645 -2.776 -3.467 1.00 0.00 C ATOM 76 O VAL A 5 4.813 -2.407 -3.306 1.00 0.00 O ATOM 77 CB VAL A 5 3.136 -3.551 -1.148 1.00 0.00 C ATOM 78 CG1 VAL A 5 4.477 -3.961 -0.572 1.00 0.00 C ATOM 79 CG2 VAL A 5 2.904 -2.062 -0.920 1.00 0.00 C ATOM 0 H VAL A 5 4.535 -5.368 -2.427 1.00 0.00 H new ATOM 0 HA VAL A 5 1.990 -4.031 -2.900 1.00 0.00 H new ATOM 0 HB VAL A 5 2.352 -4.106 -0.633 1.00 0.00 H new ATOM 0 HG11 VAL A 5 4.515 -3.698 0.485 1.00 0.00 H new ATOM 0 HG12 VAL A 5 4.607 -5.037 -0.683 1.00 0.00 H new ATOM 0 HG13 VAL A 5 5.275 -3.442 -1.103 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.976 -1.842 0.145 1.00 0.00 H new ATOM 0 HG22 VAL A 5 3.658 -1.489 -1.461 1.00 0.00 H new ATOM 0 HG23 VAL A 5 1.913 -1.789 -1.281 1.00 0.00 H new ATOM 89 N ARG A 6 2.817 -2.244 -4.349 1.00 0.00 N ATOM 90 CA ARG A 6 3.196 -1.155 -5.232 1.00 0.00 C ATOM 91 C ARG A 6 2.610 0.173 -4.764 1.00 0.00 C ATOM 92 O ARG A 6 1.559 0.215 -4.126 1.00 0.00 O ATOM 93 CB ARG A 6 2.739 -1.459 -6.656 1.00 0.00 C ATOM 94 CG ARG A 6 3.105 -2.861 -7.114 1.00 0.00 C ATOM 95 CD ARG A 6 4.570 -3.160 -6.849 1.00 0.00 C ATOM 96 NE ARG A 6 5.173 -3.931 -7.932 1.00 0.00 N ATOM 97 CZ ARG A 6 6.481 -3.977 -8.174 1.00 0.00 C ATOM 98 NH1 ARG A 6 7.331 -3.304 -7.408 1.00 0.00 N ATOM 99 NH2 ARG A 6 6.942 -4.700 -9.186 1.00 0.00 N ATOM 0 H ARG A 6 1.855 -2.558 -4.473 1.00 0.00 H new ATOM 0 HA ARG A 6 4.282 -1.065 -5.211 1.00 0.00 H new ATOM 0 HB2 ARG A 6 1.658 -1.334 -6.719 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.184 -0.733 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 6 2.483 -3.590 -6.595 1.00 0.00 H new ATOM 0 HG3 ARG A 6 2.897 -2.965 -8.179 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.114 -2.224 -6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.664 -3.712 -5.914 1.00 0.00 H new ATOM 0 HE ARG A 6 4.554 -4.467 -8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.983 -2.747 -6.628 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.332 -3.344 -7.600 1.00 0.00 H new ATOM 0 HH21 ARG A 6 6.294 -5.220 -9.778 1.00 0.00 H new ATOM 0 HH22 ARG A 6 7.944 -4.736 -9.372 1.00 0.00 H new ATOM 113 N PHE A 7 3.307 1.248 -5.094 1.00 0.00 N ATOM 114 CA PHE A 7 2.899 2.601 -4.732 1.00 0.00 C ATOM 115 C PHE A 7 3.078 3.524 -5.930 1.00 0.00 C ATOM 116 O PHE A 7 3.654 3.111 -6.936 1.00 0.00 O ATOM 117 CB PHE A 7 3.728 3.103 -3.544 1.00 0.00 C ATOM 118 CG PHE A 7 3.366 4.491 -3.098 1.00 0.00 C ATOM 119 CD1 PHE A 7 2.120 4.753 -2.553 1.00 0.00 C ATOM 120 CD2 PHE A 7 4.267 5.535 -3.232 1.00 0.00 C ATOM 121 CE1 PHE A 7 1.779 6.029 -2.148 1.00 0.00 C ATOM 122 CE2 PHE A 7 3.931 6.814 -2.828 1.00 0.00 C ATOM 123 CZ PHE A 7 2.685 7.061 -2.286 1.00 0.00 C ATOM 0 H PHE A 7 4.178 1.209 -5.624 1.00 0.00 H new ATOM 0 HA PHE A 7 1.849 2.594 -4.441 1.00 0.00 H new ATOM 0 HB2 PHE A 7 3.599 2.417 -2.707 1.00 0.00 H new ATOM 0 HB3 PHE A 7 4.784 3.082 -3.814 1.00 0.00 H new ATOM 0 HD1 PHE A 7 1.406 3.950 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 7 5.242 5.348 -3.657 1.00 0.00 H new ATOM 0 HE1 PHE A 7 0.804 6.219 -1.724 1.00 0.00 H new ATOM 0 HE2 PHE A 7 4.642 7.619 -2.936 1.00 0.00 H new ATOM 0 HZ PHE A 7 2.420 8.059 -1.971 1.00 0.00 H new ATOM 133 N ASN A 8 2.596 4.769 -5.828 1.00 0.00 N ATOM 134 CA ASN A 8 2.740 5.743 -6.920 1.00 0.00 C ATOM 135 C ASN A 8 4.155 5.653 -7.497 1.00 0.00 C ATOM 136 O ASN A 8 4.944 4.838 -7.032 1.00 0.00 O ATOM 137 CB ASN A 8 2.462 7.162 -6.417 1.00 0.00 C ATOM 138 CG ASN A 8 1.603 7.957 -7.381 1.00 0.00 C ATOM 139 OD1 ASN A 8 1.003 7.401 -8.301 1.00 0.00 O ATOM 140 ND2 ASN A 8 1.538 9.268 -7.174 1.00 0.00 N ATOM 0 H ASN A 8 2.106 5.125 -5.007 1.00 0.00 H new ATOM 0 HA ASN A 8 2.015 5.512 -7.700 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.965 7.111 -5.448 1.00 0.00 H new ATOM 0 HB3 ASN A 8 3.407 7.682 -6.263 1.00 0.00 H new ATOM 0 HD21 ASN A 8 0.975 9.854 -7.790 1.00 0.00 H new ATOM 0 HD22 ASN A 8 2.051 9.688 -6.399 1.00 0.00 H new ATOM 147 N SER A 9 4.479 6.433 -8.530 1.00 0.00 N ATOM 148 CA SER A 9 5.809 6.314 -9.137 1.00 0.00 C ATOM 149 C SER A 9 6.897 6.347 -8.064 1.00 0.00 C ATOM 150 O SER A 9 7.550 7.362 -7.822 1.00 0.00 O ATOM 151 CB SER A 9 6.035 7.444 -10.144 1.00 0.00 C ATOM 152 OG SER A 9 6.882 7.024 -11.200 1.00 0.00 O ATOM 0 H SER A 9 3.866 7.130 -8.953 1.00 0.00 H new ATOM 0 HA SER A 9 5.863 5.358 -9.657 1.00 0.00 H new ATOM 0 HB2 SER A 9 5.078 7.771 -10.550 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.477 8.303 -9.639 1.00 0.00 H new ATOM 0 HG SER A 9 7.009 7.763 -11.831 1.00 0.00 H new ATOM 158 N SER A 10 7.060 5.181 -7.442 1.00 0.00 N ATOM 159 CA SER A 10 8.033 4.941 -6.388 1.00 0.00 C ATOM 160 C SER A 10 8.561 3.516 -6.515 1.00 0.00 C ATOM 161 O SER A 10 8.063 2.740 -7.331 1.00 0.00 O ATOM 162 CB SER A 10 7.399 5.151 -5.012 1.00 0.00 C ATOM 163 OG SER A 10 6.724 3.983 -4.576 1.00 0.00 O ATOM 0 H SER A 10 6.502 4.357 -7.666 1.00 0.00 H new ATOM 0 HA SER A 10 8.857 5.647 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.170 5.419 -4.290 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.698 5.985 -5.055 1.00 0.00 H new ATOM 0 HG SER A 10 6.749 3.937 -3.597 1.00 0.00 H new ATOM 169 N HIS A 11 9.541 3.156 -5.699 1.00 0.00 N ATOM 170 CA HIS A 11 10.080 1.802 -5.731 1.00 0.00 C ATOM 171 C HIS A 11 9.249 0.889 -4.827 1.00 0.00 C ATOM 172 O HIS A 11 9.280 1.020 -3.603 1.00 0.00 O ATOM 173 CB HIS A 11 11.542 1.797 -5.284 1.00 0.00 C ATOM 174 CG HIS A 11 12.367 0.737 -5.945 1.00 0.00 C ATOM 175 ND1 HIS A 11 11.870 -0.507 -6.275 1.00 0.00 N ATOM 176 CD2 HIS A 11 13.662 0.740 -6.342 1.00 0.00 C ATOM 177 CE1 HIS A 11 12.824 -1.224 -6.844 1.00 0.00 C ATOM 178 NE2 HIS A 11 13.920 -0.490 -6.897 1.00 0.00 N ATOM 0 H HIS A 11 9.976 3.774 -5.014 1.00 0.00 H new ATOM 0 HA HIS A 11 10.031 1.430 -6.754 1.00 0.00 H new ATOM 0 HB2 HIS A 11 11.981 2.772 -5.495 1.00 0.00 H new ATOM 0 HB3 HIS A 11 11.583 1.656 -4.204 1.00 0.00 H new ATOM 0 HD2 HIS A 11 14.361 1.557 -6.241 1.00 0.00 H new ATOM 0 HE1 HIS A 11 12.724 -2.237 -7.204 1.00 0.00 H new ATOM 0 HE2 HIS A 11 14.814 -0.788 -7.287 1.00 0.00 H new ATOM 187 N GLY A 12 8.495 -0.027 -5.438 1.00 0.00 N ATOM 188 CA GLY A 12 7.655 -0.936 -4.675 1.00 0.00 C ATOM 189 C GLY A 12 8.425 -2.127 -4.145 1.00 0.00 C ATOM 190 O GLY A 12 9.491 -2.462 -4.663 1.00 0.00 O ATOM 0 H GLY A 12 8.452 -0.154 -6.449 1.00 0.00 H new ATOM 0 HA2 GLY A 12 7.206 -0.397 -3.841 1.00 0.00 H new ATOM 0 HA3 GLY A 12 6.838 -1.287 -5.305 1.00 0.00 H new ATOM 194 N PHE A 13 7.898 -2.764 -3.102 1.00 0.00 N ATOM 195 CA PHE A 13 8.566 -3.917 -2.506 1.00 0.00 C ATOM 196 C PHE A 13 7.634 -5.124 -2.415 1.00 0.00 C ATOM 197 O PHE A 13 6.439 -4.977 -2.164 1.00 0.00 O ATOM 198 CB PHE A 13 9.096 -3.562 -1.115 1.00 0.00 C ATOM 199 CG PHE A 13 8.040 -3.045 -0.181 1.00 0.00 C ATOM 200 CD1 PHE A 13 7.490 -1.786 -0.364 1.00 0.00 C ATOM 201 CD2 PHE A 13 7.599 -3.816 0.883 1.00 0.00 C ATOM 202 CE1 PHE A 13 6.519 -1.306 0.495 1.00 0.00 C ATOM 203 CE2 PHE A 13 6.628 -3.342 1.746 1.00 0.00 C ATOM 204 CZ PHE A 13 6.088 -2.085 1.552 1.00 0.00 C ATOM 0 H PHE A 13 7.018 -2.504 -2.656 1.00 0.00 H new ATOM 0 HA PHE A 13 9.400 -4.185 -3.154 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.557 -4.446 -0.675 1.00 0.00 H new ATOM 0 HB3 PHE A 13 9.879 -2.811 -1.215 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.824 -1.173 -1.188 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.019 -4.799 1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 13 6.098 -0.324 0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 13 6.292 -3.953 2.570 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.330 -1.712 2.225 1.00 0.00 H new ATOM 214 N PRO A 14 8.175 -6.341 -2.607 1.00 0.00 N ATOM 215 CA PRO A 14 7.383 -7.573 -2.531 1.00 0.00 C ATOM 216 C PRO A 14 6.879 -7.826 -1.114 1.00 0.00 C ATOM 217 O PRO A 14 7.631 -7.689 -0.150 1.00 0.00 O ATOM 218 CB PRO A 14 8.371 -8.665 -2.952 1.00 0.00 C ATOM 219 CG PRO A 14 9.716 -8.093 -2.665 1.00 0.00 C ATOM 220 CD PRO A 14 9.595 -6.614 -2.897 1.00 0.00 C ATOM 0 HA PRO A 14 6.493 -7.533 -3.159 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.205 -9.586 -2.392 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.263 -8.910 -4.009 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.019 -8.304 -1.639 1.00 0.00 H new ATOM 0 HG3 PRO A 14 10.473 -8.530 -3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.256 -6.048 -2.240 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.856 -6.345 -3.920 1.00 0.00 H new ATOM 228 N VAL A 15 5.606 -8.184 -0.987 1.00 0.00 N ATOM 229 CA VAL A 15 5.020 -8.437 0.319 1.00 0.00 C ATOM 230 C VAL A 15 4.556 -9.881 0.433 1.00 0.00 C ATOM 231 O VAL A 15 3.939 -10.407 -0.488 1.00 0.00 O ATOM 232 CB VAL A 15 3.846 -7.447 0.587 1.00 0.00 C ATOM 233 CG1 VAL A 15 2.468 -8.114 0.609 1.00 0.00 C ATOM 234 CG2 VAL A 15 4.083 -6.702 1.877 1.00 0.00 C ATOM 0 H VAL A 15 4.964 -8.305 -1.771 1.00 0.00 H new ATOM 0 HA VAL A 15 5.784 -8.273 1.079 1.00 0.00 H new ATOM 0 HB VAL A 15 3.834 -6.753 -0.253 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.703 -7.362 0.801 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.278 -8.588 -0.354 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.441 -8.868 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 15 3.258 -6.013 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.147 -7.413 2.701 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.015 -6.142 1.807 1.00 0.00 H new ATOM 244 N GLU A 16 4.843 -10.527 1.558 1.00 0.00 N ATOM 245 CA GLU A 16 4.411 -11.901 1.738 1.00 0.00 C ATOM 246 C GLU A 16 3.058 -11.917 2.437 1.00 0.00 C ATOM 247 O GLU A 16 2.941 -12.317 3.596 1.00 0.00 O ATOM 248 CB GLU A 16 5.444 -12.680 2.556 1.00 0.00 C ATOM 249 CG GLU A 16 5.002 -14.091 2.923 1.00 0.00 C ATOM 250 CD GLU A 16 5.981 -15.150 2.453 1.00 0.00 C ATOM 251 OE1 GLU A 16 7.203 -14.919 2.558 1.00 0.00 O ATOM 252 OE2 GLU A 16 5.522 -16.212 1.979 1.00 0.00 O ATOM 0 H GLU A 16 5.362 -10.129 2.341 1.00 0.00 H new ATOM 0 HA GLU A 16 4.317 -12.380 0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 16 6.374 -12.736 1.990 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.660 -12.128 3.471 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.887 -14.162 4.005 1.00 0.00 H new ATOM 0 HG3 GLU A 16 4.023 -14.287 2.485 1.00 0.00 H new ATOM 259 N VAL A 17 2.037 -11.471 1.708 1.00 0.00 N ATOM 260 CA VAL A 17 0.677 -11.414 2.219 1.00 0.00 C ATOM 261 C VAL A 17 -0.256 -10.779 1.193 1.00 0.00 C ATOM 262 O VAL A 17 0.179 -9.999 0.346 1.00 0.00 O ATOM 263 CB VAL A 17 0.604 -10.628 3.553 1.00 0.00 C ATOM 264 CG1 VAL A 17 1.795 -9.704 3.708 1.00 0.00 C ATOM 265 CG2 VAL A 17 -0.679 -9.824 3.661 1.00 0.00 C ATOM 0 H VAL A 17 2.133 -11.140 0.748 1.00 0.00 H new ATOM 0 HA VAL A 17 0.357 -12.438 2.408 1.00 0.00 H new ATOM 0 HB VAL A 17 0.618 -11.366 4.355 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.717 -9.166 4.653 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.714 -10.290 3.699 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.812 -8.991 2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.693 -9.287 4.609 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.731 -9.110 2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.535 -10.497 3.612 1.00 0.00 H new ATOM 275 N ASP A 18 -1.546 -11.088 1.293 1.00 0.00 N ATOM 276 CA ASP A 18 -2.523 -10.506 0.388 1.00 0.00 C ATOM 277 C ASP A 18 -2.592 -9.007 0.653 1.00 0.00 C ATOM 278 O ASP A 18 -2.855 -8.574 1.774 1.00 0.00 O ATOM 279 CB ASP A 18 -3.898 -11.146 0.594 1.00 0.00 C ATOM 280 CG ASP A 18 -4.158 -12.281 -0.378 1.00 0.00 C ATOM 281 OD1 ASP A 18 -3.710 -12.183 -1.540 1.00 0.00 O ATOM 282 OD2 ASP A 18 -4.807 -13.269 0.025 1.00 0.00 O ATOM 0 H ASP A 18 -1.932 -11.731 1.984 1.00 0.00 H new ATOM 0 HA ASP A 18 -2.222 -10.689 -0.644 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -3.972 -11.521 1.615 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -4.671 -10.386 0.477 1.00 0.00 H new ATOM 287 N SER A 19 -2.297 -8.225 -0.373 1.00 0.00 N ATOM 288 CA SER A 19 -2.274 -6.771 -0.231 1.00 0.00 C ATOM 289 C SER A 19 -3.642 -6.113 -0.456 1.00 0.00 C ATOM 290 O SER A 19 -3.879 -5.019 0.050 1.00 0.00 O ATOM 291 CB SER A 19 -1.220 -6.153 -1.160 1.00 0.00 C ATOM 292 OG SER A 19 -1.613 -4.861 -1.592 1.00 0.00 O ATOM 0 H SER A 19 -2.071 -8.565 -1.308 1.00 0.00 H new ATOM 0 HA SER A 19 -2.005 -6.571 0.806 1.00 0.00 H new ATOM 0 HB2 SER A 19 -0.264 -6.090 -0.640 1.00 0.00 H new ATOM 0 HB3 SER A 19 -1.070 -6.799 -2.025 1.00 0.00 H new ATOM 0 HG SER A 19 -1.820 -4.304 -0.812 1.00 0.00 H new ATOM 298 N ASP A 20 -4.528 -6.738 -1.232 1.00 0.00 N ATOM 299 CA ASP A 20 -5.839 -6.127 -1.505 1.00 0.00 C ATOM 300 C ASP A 20 -6.886 -6.470 -0.460 1.00 0.00 C ATOM 301 O ASP A 20 -7.845 -5.720 -0.295 1.00 0.00 O ATOM 302 CB ASP A 20 -6.367 -6.481 -2.898 1.00 0.00 C ATOM 303 CG ASP A 20 -5.838 -7.792 -3.449 1.00 0.00 C ATOM 304 OD1 ASP A 20 -4.775 -8.255 -2.989 1.00 0.00 O ATOM 305 OD2 ASP A 20 -6.494 -8.356 -4.344 1.00 0.00 O ATOM 0 H ASP A 20 -4.373 -7.644 -1.675 1.00 0.00 H new ATOM 0 HA ASP A 20 -5.662 -5.052 -1.461 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -7.455 -6.528 -2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.106 -5.678 -3.588 1.00 0.00 H new ATOM 310 N THR A 21 -6.697 -7.577 0.246 1.00 0.00 N ATOM 311 CA THR A 21 -7.625 -8.013 1.289 1.00 0.00 C ATOM 312 C THR A 21 -8.235 -6.821 2.012 1.00 0.00 C ATOM 313 O THR A 21 -7.659 -5.737 2.018 1.00 0.00 O ATOM 314 CB THR A 21 -6.904 -8.926 2.256 1.00 0.00 C ATOM 315 OG1 THR A 21 -7.600 -9.023 3.485 1.00 0.00 O ATOM 316 CG2 THR A 21 -5.488 -8.480 2.547 1.00 0.00 C ATOM 0 H THR A 21 -5.899 -8.199 0.115 1.00 0.00 H new ATOM 0 HA THR A 21 -8.444 -8.564 0.826 1.00 0.00 H new ATOM 0 HB THR A 21 -6.866 -9.897 1.763 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.438 -9.903 3.884 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.024 -9.175 3.247 1.00 0.00 H new ATOM 0 HG22 THR A 21 -4.915 -8.461 1.620 1.00 0.00 H new ATOM 0 HG23 THR A 21 -5.504 -7.482 2.984 1.00 0.00 H new ATOM 324 N SER A 22 -9.456 -7.017 2.517 1.00 0.00 N ATOM 325 CA SER A 22 -10.257 -5.953 3.132 1.00 0.00 C ATOM 326 C SER A 22 -9.440 -4.732 3.537 1.00 0.00 C ATOM 327 O SER A 22 -8.283 -4.828 3.943 1.00 0.00 O ATOM 328 CB SER A 22 -11.016 -6.503 4.344 1.00 0.00 C ATOM 329 OG SER A 22 -11.367 -5.467 5.247 1.00 0.00 O ATOM 0 H SER A 22 -9.921 -7.925 2.511 1.00 0.00 H new ATOM 0 HA SER A 22 -10.959 -5.615 2.370 1.00 0.00 H new ATOM 0 HB2 SER A 22 -11.917 -7.017 4.009 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.400 -7.242 4.857 1.00 0.00 H new ATOM 0 HG SER A 22 -11.851 -5.848 6.009 1.00 0.00 H new ATOM 335 N ILE A 23 -10.077 -3.571 3.371 1.00 0.00 N ATOM 336 CA ILE A 23 -9.459 -2.282 3.648 1.00 0.00 C ATOM 337 C ILE A 23 -8.619 -2.313 4.916 1.00 0.00 C ATOM 338 O ILE A 23 -7.531 -1.744 4.952 1.00 0.00 O ATOM 339 CB ILE A 23 -10.530 -1.180 3.760 1.00 0.00 C ATOM 340 CG1 ILE A 23 -9.873 0.197 3.862 1.00 0.00 C ATOM 341 CG2 ILE A 23 -11.436 -1.434 4.956 1.00 0.00 C ATOM 342 CD1 ILE A 23 -10.709 1.310 3.267 1.00 0.00 C ATOM 0 H ILE A 23 -11.039 -3.503 3.039 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.796 -2.060 2.812 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.142 -1.201 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -9.678 0.421 4.911 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.908 0.169 3.357 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -12.186 -0.645 5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -11.932 -2.398 4.839 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.840 -1.441 5.869 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.182 2.258 3.374 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.883 1.109 2.210 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -11.665 1.365 3.788 1.00 0.00 H new ATOM 354 N PHE A 24 -9.103 -3.002 5.937 1.00 0.00 N ATOM 355 CA PHE A 24 -8.359 -3.118 7.180 1.00 0.00 C ATOM 356 C PHE A 24 -7.093 -3.936 6.944 1.00 0.00 C ATOM 357 O PHE A 24 -5.998 -3.554 7.360 1.00 0.00 O ATOM 358 CB PHE A 24 -9.221 -3.776 8.260 1.00 0.00 C ATOM 359 CG PHE A 24 -10.315 -2.886 8.780 1.00 0.00 C ATOM 360 CD1 PHE A 24 -10.084 -2.037 9.851 1.00 0.00 C ATOM 361 CD2 PHE A 24 -11.572 -2.900 8.198 1.00 0.00 C ATOM 362 CE1 PHE A 24 -11.088 -1.218 10.330 1.00 0.00 C ATOM 363 CE2 PHE A 24 -12.580 -2.083 8.674 1.00 0.00 C ATOM 364 CZ PHE A 24 -12.337 -1.240 9.741 1.00 0.00 C ATOM 0 H PHE A 24 -10.001 -3.486 5.930 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.083 -2.121 7.522 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -9.665 -4.685 7.855 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -8.582 -4.076 9.091 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.109 -2.016 10.316 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -11.766 -3.557 7.363 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -10.896 -0.561 11.165 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -13.556 -2.104 8.212 1.00 0.00 H new ATOM 0 HZ PHE A 24 -13.122 -0.599 10.114 1.00 0.00 H new ATOM 374 N GLN A 25 -7.261 -5.072 6.278 1.00 0.00 N ATOM 375 CA GLN A 25 -6.151 -5.967 5.984 1.00 0.00 C ATOM 376 C GLN A 25 -5.134 -5.334 5.039 1.00 0.00 C ATOM 377 O GLN A 25 -3.944 -5.272 5.347 1.00 0.00 O ATOM 378 CB GLN A 25 -6.667 -7.258 5.356 1.00 0.00 C ATOM 379 CG GLN A 25 -7.936 -7.797 5.998 1.00 0.00 C ATOM 380 CD GLN A 25 -7.810 -7.951 7.501 1.00 0.00 C ATOM 381 OE1 GLN A 25 -6.910 -8.632 7.993 1.00 0.00 O ATOM 382 NE2 GLN A 25 -8.715 -7.318 8.239 1.00 0.00 N ATOM 0 H GLN A 25 -8.163 -5.396 5.929 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.655 -6.177 6.932 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.854 -7.084 4.296 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.888 -8.018 5.422 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -8.765 -7.126 5.774 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -8.180 -8.763 5.557 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -9.444 -6.764 7.789 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.681 -7.385 9.256 1.00 0.00 H new ATOM 391 N LEU A 26 -5.605 -4.883 3.878 1.00 0.00 N ATOM 392 CA LEU A 26 -4.725 -4.278 2.885 1.00 0.00 C ATOM 393 C LEU A 26 -3.953 -3.110 3.475 1.00 0.00 C ATOM 394 O LEU A 26 -2.724 -3.089 3.448 1.00 0.00 O ATOM 395 CB LEU A 26 -5.531 -3.814 1.663 1.00 0.00 C ATOM 396 CG LEU A 26 -6.791 -2.993 1.966 1.00 0.00 C ATOM 397 CD1 LEU A 26 -6.477 -1.505 2.002 1.00 0.00 C ATOM 398 CD2 LEU A 26 -7.870 -3.268 0.933 1.00 0.00 C ATOM 0 H LEU A 26 -6.587 -4.925 3.604 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.008 -5.036 2.569 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.877 -3.219 1.025 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.823 -4.693 1.089 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.156 -3.294 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.387 -0.946 2.219 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.737 -1.308 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.081 -1.193 1.035 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -8.755 -2.676 1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.503 -2.998 -0.057 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -8.127 -4.327 0.948 1.00 0.00 H new ATOM 410 N LYS A 27 -4.683 -2.143 4.004 1.00 0.00 N ATOM 411 CA LYS A 27 -4.081 -0.964 4.599 1.00 0.00 C ATOM 412 C LYS A 27 -3.038 -1.342 5.644 1.00 0.00 C ATOM 413 O LYS A 27 -2.010 -0.675 5.772 1.00 0.00 O ATOM 414 CB LYS A 27 -5.166 -0.082 5.229 1.00 0.00 C ATOM 415 CG LYS A 27 -5.769 -0.652 6.502 1.00 0.00 C ATOM 416 CD LYS A 27 -5.078 -0.116 7.744 1.00 0.00 C ATOM 417 CE LYS A 27 -5.491 -0.890 8.987 1.00 0.00 C ATOM 418 NZ LYS A 27 -6.961 -0.829 9.222 1.00 0.00 N ATOM 0 H LYS A 27 -5.703 -2.153 4.033 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.577 -0.406 3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.741 0.897 5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.962 0.072 4.500 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.830 -0.407 6.543 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.693 -1.739 6.485 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.997 -0.179 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.323 0.938 7.872 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.184 -1.931 8.884 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.968 -0.487 9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.148 -0.362 10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -7.413 -0.289 8.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -7.350 -1.793 9.241 1.00 0.00 H new ATOM 432 N GLU A 28 -3.302 -2.409 6.397 1.00 0.00 N ATOM 433 CA GLU A 28 -2.368 -2.835 7.430 1.00 0.00 C ATOM 434 C GLU A 28 -1.056 -3.322 6.831 1.00 0.00 C ATOM 435 O GLU A 28 0.007 -2.784 7.133 1.00 0.00 O ATOM 436 CB GLU A 28 -2.991 -3.934 8.292 1.00 0.00 C ATOM 437 CG GLU A 28 -2.362 -4.055 9.671 1.00 0.00 C ATOM 438 CD GLU A 28 -3.359 -3.829 10.790 1.00 0.00 C ATOM 439 OE1 GLU A 28 -4.226 -4.703 10.997 1.00 0.00 O ATOM 440 OE2 GLU A 28 -3.273 -2.778 11.459 1.00 0.00 O ATOM 0 H GLU A 28 -4.140 -2.984 6.312 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.151 -1.969 8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -4.057 -3.736 8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.897 -4.888 7.774 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.920 -5.045 9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.551 -3.332 9.761 1.00 0.00 H new ATOM 447 N VAL A 29 -1.126 -4.344 5.990 1.00 0.00 N ATOM 448 CA VAL A 29 0.071 -4.900 5.368 1.00 0.00 C ATOM 449 C VAL A 29 0.900 -3.818 4.673 1.00 0.00 C ATOM 450 O VAL A 29 2.105 -3.697 4.914 1.00 0.00 O ATOM 451 CB VAL A 29 -0.296 -6.019 4.365 1.00 0.00 C ATOM 452 CG1 VAL A 29 0.889 -6.400 3.486 1.00 0.00 C ATOM 453 CG2 VAL A 29 -0.807 -7.239 5.111 1.00 0.00 C ATOM 0 H VAL A 29 -1.995 -4.805 5.722 1.00 0.00 H new ATOM 0 HA VAL A 29 0.678 -5.330 6.165 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.082 -5.637 3.713 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.591 -7.189 2.795 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.218 -5.528 2.921 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.707 -6.756 4.112 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -1.063 -8.022 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -0.033 -7.603 5.786 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.693 -6.969 5.686 1.00 0.00 H new ATOM 463 N VAL A 30 0.257 -3.042 3.808 1.00 0.00 N ATOM 464 CA VAL A 30 0.954 -1.988 3.076 1.00 0.00 C ATOM 465 C VAL A 30 1.529 -0.919 3.992 1.00 0.00 C ATOM 466 O VAL A 30 2.737 -0.827 4.176 1.00 0.00 O ATOM 467 CB VAL A 30 0.026 -1.269 2.069 1.00 0.00 C ATOM 468 CG1 VAL A 30 -1.304 -0.917 2.719 1.00 0.00 C ATOM 469 CG2 VAL A 30 0.691 -0.003 1.535 1.00 0.00 C ATOM 0 H VAL A 30 -0.738 -3.120 3.597 1.00 0.00 H new ATOM 0 HA VAL A 30 1.761 -2.503 2.554 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.158 -1.949 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.941 -0.412 1.993 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.795 -1.828 3.061 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.130 -0.258 3.570 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.023 0.489 0.828 1.00 0.00 H new ATOM 0 HG22 VAL A 30 0.904 0.673 2.363 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.622 -0.265 1.032 1.00 0.00 H new ATOM 479 N ALA A 31 0.645 -0.085 4.517 1.00 0.00 N ATOM 480 CA ALA A 31 1.030 1.019 5.355 1.00 0.00 C ATOM 481 C ALA A 31 1.947 0.603 6.504 1.00 0.00 C ATOM 482 O ALA A 31 2.787 1.390 6.941 1.00 0.00 O ATOM 483 CB ALA A 31 -0.214 1.712 5.861 1.00 0.00 C ATOM 0 H ALA A 31 -0.361 -0.163 4.368 1.00 0.00 H new ATOM 0 HA ALA A 31 1.616 1.713 4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.070 2.550 6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.796 2.079 5.015 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.815 1.007 6.436 1.00 0.00 H new ATOM 489 N LYS A 32 1.815 -0.629 6.982 1.00 0.00 N ATOM 490 CA LYS A 32 2.675 -1.100 8.062 1.00 0.00 C ATOM 491 C LYS A 32 4.103 -1.236 7.555 1.00 0.00 C ATOM 492 O LYS A 32 5.035 -0.666 8.121 1.00 0.00 O ATOM 493 CB LYS A 32 2.186 -2.440 8.609 1.00 0.00 C ATOM 494 CG LYS A 32 3.028 -2.962 9.760 1.00 0.00 C ATOM 495 CD LYS A 32 2.992 -4.481 9.835 1.00 0.00 C ATOM 496 CE LYS A 32 2.025 -4.964 10.904 1.00 0.00 C ATOM 497 NZ LYS A 32 1.743 -6.420 10.779 1.00 0.00 N ATOM 0 H LYS A 32 1.134 -1.310 6.646 1.00 0.00 H new ATOM 0 HA LYS A 32 2.642 -0.371 8.872 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.154 -2.334 8.942 1.00 0.00 H new ATOM 0 HB3 LYS A 32 2.187 -3.175 7.804 1.00 0.00 H new ATOM 0 HG2 LYS A 32 4.058 -2.627 9.639 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.664 -2.542 10.698 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.698 -4.887 8.867 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.991 -4.859 10.049 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.441 -4.758 11.890 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.092 -4.406 10.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.080 -6.711 11.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.322 -6.613 9.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.630 -6.955 10.876 1.00 0.00 H new ATOM 511 N ARG A 33 4.257 -1.986 6.471 1.00 0.00 N ATOM 512 CA ARG A 33 5.564 -2.194 5.864 1.00 0.00 C ATOM 513 C ARG A 33 5.923 -1.039 4.930 1.00 0.00 C ATOM 514 O ARG A 33 7.043 -0.970 4.421 1.00 0.00 O ATOM 515 CB ARG A 33 5.584 -3.510 5.092 1.00 0.00 C ATOM 516 CG ARG A 33 5.138 -4.708 5.916 1.00 0.00 C ATOM 517 CD ARG A 33 6.139 -5.849 5.834 1.00 0.00 C ATOM 518 NE ARG A 33 6.940 -5.962 7.051 1.00 0.00 N ATOM 519 CZ ARG A 33 6.513 -6.544 8.169 1.00 0.00 C ATOM 520 NH1 ARG A 33 5.293 -7.064 8.231 1.00 0.00 N ATOM 521 NH2 ARG A 33 7.307 -6.605 9.230 1.00 0.00 N ATOM 0 H ARG A 33 3.491 -2.461 5.994 1.00 0.00 H new ATOM 0 HA ARG A 33 6.305 -2.235 6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 33 4.937 -3.419 4.219 1.00 0.00 H new ATOM 0 HB3 ARG A 33 6.594 -3.689 4.723 1.00 0.00 H new ATOM 0 HG2 ARG A 33 5.012 -4.408 6.956 1.00 0.00 H new ATOM 0 HG3 ARG A 33 4.165 -5.051 5.563 1.00 0.00 H new ATOM 0 HD2 ARG A 33 5.608 -6.785 5.661 1.00 0.00 H new ATOM 0 HD3 ARG A 33 6.798 -5.693 4.980 1.00 0.00 H new ATOM 0 HE ARG A 33 7.882 -5.572 7.043 1.00 0.00 H new ATOM 0 HH11 ARG A 33 4.677 -7.019 7.419 1.00 0.00 H new ATOM 0 HH12 ARG A 33 4.971 -7.509 9.091 1.00 0.00 H new ATOM 0 HH21 ARG A 33 8.245 -6.206 9.189 1.00 0.00 H new ATOM 0 HH22 ARG A 33 6.980 -7.051 10.087 1.00 0.00 H new ATOM 535 N GLN A 34 4.968 -0.139 4.695 1.00 0.00 N ATOM 536 CA GLN A 34 5.190 0.998 3.812 1.00 0.00 C ATOM 537 C GLN A 34 5.950 2.119 4.525 1.00 0.00 C ATOM 538 O GLN A 34 6.284 3.134 3.916 1.00 0.00 O ATOM 539 CB GLN A 34 3.841 1.522 3.291 1.00 0.00 C ATOM 540 CG GLN A 34 3.971 2.630 2.257 1.00 0.00 C ATOM 541 CD GLN A 34 3.365 2.252 0.919 1.00 0.00 C ATOM 542 OE1 GLN A 34 2.202 2.550 0.644 1.00 0.00 O ATOM 543 NE2 GLN A 34 4.153 1.592 0.077 1.00 0.00 N ATOM 0 H GLN A 34 4.035 -0.178 5.105 1.00 0.00 H new ATOM 0 HA GLN A 34 5.800 0.663 2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.284 0.693 2.854 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.255 1.890 4.133 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.484 3.530 2.631 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.025 2.872 2.119 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.111 1.366 0.346 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.800 1.312 -0.838 1.00 0.00 H new ATOM 552 N GLY A 35 6.186 1.948 5.824 1.00 0.00 N ATOM 553 CA GLY A 35 6.862 2.981 6.592 1.00 0.00 C ATOM 554 C GLY A 35 5.933 4.156 6.752 1.00 0.00 C ATOM 555 O GLY A 35 6.328 5.317 6.659 1.00 0.00 O ATOM 0 H GLY A 35 5.923 1.118 6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.153 2.595 7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.777 3.290 6.086 1.00 0.00 H new ATOM 559 N VAL A 36 4.670 3.809 6.934 1.00 0.00 N ATOM 560 CA VAL A 36 3.587 4.761 7.048 1.00 0.00 C ATOM 561 C VAL A 36 2.545 4.225 8.038 1.00 0.00 C ATOM 562 O VAL A 36 2.760 3.175 8.642 1.00 0.00 O ATOM 563 CB VAL A 36 2.971 4.998 5.645 1.00 0.00 C ATOM 564 CG1 VAL A 36 4.048 4.928 4.571 1.00 0.00 C ATOM 565 CG2 VAL A 36 1.883 3.982 5.342 1.00 0.00 C ATOM 0 H VAL A 36 4.367 2.838 7.008 1.00 0.00 H new ATOM 0 HA VAL A 36 3.953 5.716 7.426 1.00 0.00 H new ATOM 0 HB VAL A 36 2.526 5.993 5.645 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.598 5.097 3.593 1.00 0.00 H new ATOM 0 HG12 VAL A 36 4.801 5.693 4.761 1.00 0.00 H new ATOM 0 HG13 VAL A 36 4.517 3.944 4.590 1.00 0.00 H new ATOM 0 HG21 VAL A 36 1.471 4.175 4.352 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.305 2.977 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 36 1.091 4.064 6.087 1.00 0.00 H new ATOM 575 N PRO A 37 1.385 4.891 8.201 1.00 0.00 N ATOM 576 CA PRO A 37 0.322 4.410 9.092 1.00 0.00 C ATOM 577 C PRO A 37 -0.259 3.137 8.552 1.00 0.00 C ATOM 578 O PRO A 37 0.459 2.300 8.020 1.00 0.00 O ATOM 579 CB PRO A 37 -0.726 5.498 9.012 1.00 0.00 C ATOM 580 CG PRO A 37 -0.556 5.963 7.637 1.00 0.00 C ATOM 581 CD PRO A 37 0.934 6.107 7.496 1.00 0.00 C ATOM 0 HA PRO A 37 0.675 4.213 10.104 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.730 5.115 9.195 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.550 6.291 9.738 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.960 5.249 6.919 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.068 6.910 7.467 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.253 6.125 6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.309 7.019 7.960 1.00 0.00 H new ATOM 589 N ALA A 38 -1.555 2.984 8.736 1.00 0.00 N ATOM 590 CA ALA A 38 -2.259 1.824 8.296 1.00 0.00 C ATOM 591 C ALA A 38 -3.152 2.080 7.071 1.00 0.00 C ATOM 592 O ALA A 38 -2.914 1.542 5.992 1.00 0.00 O ATOM 593 CB ALA A 38 -3.091 1.391 9.447 1.00 0.00 C ATOM 0 H ALA A 38 -2.143 3.675 9.201 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.544 1.065 7.979 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.658 0.502 9.172 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.447 1.163 10.296 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.780 2.191 9.719 1.00 0.00 H new ATOM 599 N ASP A 39 -4.213 2.869 7.277 1.00 0.00 N ATOM 600 CA ASP A 39 -5.202 3.168 6.233 1.00 0.00 C ATOM 601 C ASP A 39 -5.211 4.632 5.799 1.00 0.00 C ATOM 602 O ASP A 39 -6.275 5.185 5.514 1.00 0.00 O ATOM 603 CB ASP A 39 -6.600 2.768 6.712 1.00 0.00 C ATOM 604 CG ASP A 39 -6.866 3.193 8.144 1.00 0.00 C ATOM 605 OD1 ASP A 39 -7.246 4.365 8.354 1.00 0.00 O ATOM 606 OD2 ASP A 39 -6.696 2.355 9.053 1.00 0.00 O ATOM 0 H ASP A 39 -4.411 3.318 8.171 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.912 2.584 5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -7.347 3.217 6.058 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.713 1.687 6.630 1.00 0.00 H new ATOM 611 N GLN A 40 -4.055 5.273 5.771 1.00 0.00 N ATOM 612 CA GLN A 40 -3.982 6.685 5.400 1.00 0.00 C ATOM 613 C GLN A 40 -4.757 6.996 4.110 1.00 0.00 C ATOM 614 O GLN A 40 -5.884 7.489 4.165 1.00 0.00 O ATOM 615 CB GLN A 40 -2.514 7.088 5.240 1.00 0.00 C ATOM 616 CG GLN A 40 -2.294 8.403 4.506 1.00 0.00 C ATOM 617 CD GLN A 40 -2.843 9.594 5.267 1.00 0.00 C ATOM 618 OE1 GLN A 40 -3.746 10.284 4.795 1.00 0.00 O ATOM 619 NE2 GLN A 40 -2.297 9.841 6.451 1.00 0.00 N ATOM 0 H GLN A 40 -3.157 4.846 5.998 1.00 0.00 H new ATOM 0 HA GLN A 40 -4.450 7.263 6.197 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -2.061 7.159 6.229 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -1.990 6.296 4.705 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.227 8.546 4.336 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.769 8.352 3.526 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.550 9.242 6.803 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.624 10.630 7.009 1.00 0.00 H new ATOM 628 N LEU A 41 -4.143 6.744 2.958 1.00 0.00 N ATOM 629 CA LEU A 41 -4.765 7.037 1.675 1.00 0.00 C ATOM 630 C LEU A 41 -5.643 5.872 1.170 1.00 0.00 C ATOM 631 O LEU A 41 -6.541 5.427 1.887 1.00 0.00 O ATOM 632 CB LEU A 41 -3.658 7.400 0.685 1.00 0.00 C ATOM 633 CG LEU A 41 -3.916 8.629 -0.182 1.00 0.00 C ATOM 634 CD1 LEU A 41 -4.465 9.781 0.650 1.00 0.00 C ATOM 635 CD2 LEU A 41 -2.631 9.039 -0.877 1.00 0.00 C ATOM 0 H LEU A 41 -3.211 6.336 2.889 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.448 7.879 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.736 7.560 1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.489 6.546 0.029 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.665 8.376 -0.932 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.640 10.644 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.404 9.479 1.115 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.745 10.046 1.425 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.816 9.917 -1.496 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.873 9.275 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.280 8.220 -1.505 1.00 0.00 H new ATOM 647 N ARG A 42 -5.409 5.389 -0.059 1.00 0.00 N ATOM 648 CA ARG A 42 -6.213 4.299 -0.617 1.00 0.00 C ATOM 649 C ARG A 42 -5.342 3.169 -1.162 1.00 0.00 C ATOM 650 O ARG A 42 -4.246 3.396 -1.659 1.00 0.00 O ATOM 651 CB ARG A 42 -7.107 4.828 -1.737 1.00 0.00 C ATOM 652 CG ARG A 42 -8.320 5.597 -1.240 1.00 0.00 C ATOM 653 CD ARG A 42 -8.670 6.745 -2.171 1.00 0.00 C ATOM 654 NE ARG A 42 -9.522 7.737 -1.521 1.00 0.00 N ATOM 655 CZ ARG A 42 -9.070 8.660 -0.674 1.00 0.00 C ATOM 656 NH1 ARG A 42 -7.779 8.722 -0.375 1.00 0.00 N ATOM 657 NH2 ARG A 42 -9.913 9.524 -0.125 1.00 0.00 N ATOM 0 H ARG A 42 -4.676 5.734 -0.678 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.823 3.899 0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -6.517 5.477 -2.385 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.444 3.990 -2.347 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.172 4.922 -1.157 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.122 5.985 -0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.754 7.224 -2.516 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.177 6.354 -3.053 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.521 7.722 -1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.126 8.060 -0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.439 9.431 0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.907 9.481 -0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.568 10.231 0.524 1.00 0.00 H new ATOM 671 N VAL A 43 -5.847 1.947 -1.075 1.00 0.00 N ATOM 672 CA VAL A 43 -5.115 0.785 -1.564 1.00 0.00 C ATOM 673 C VAL A 43 -5.867 0.108 -2.715 1.00 0.00 C ATOM 674 O VAL A 43 -7.096 0.135 -2.764 1.00 0.00 O ATOM 675 CB VAL A 43 -4.853 -0.207 -0.414 1.00 0.00 C ATOM 676 CG1 VAL A 43 -3.787 -1.206 -0.797 1.00 0.00 C ATOM 677 CG2 VAL A 43 -4.439 0.546 0.839 1.00 0.00 C ATOM 0 H VAL A 43 -6.759 1.733 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.153 1.122 -1.950 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.775 -0.752 -0.214 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.620 -1.895 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -4.111 -1.765 -1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.860 -0.680 -1.024 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.256 -0.163 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.529 1.111 0.640 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.235 1.231 1.131 1.00 0.00 H new ATOM 687 N ILE A 44 -5.123 -0.454 -3.672 1.00 0.00 N ATOM 688 CA ILE A 44 -5.738 -1.080 -4.842 1.00 0.00 C ATOM 689 C ILE A 44 -4.979 -2.329 -5.301 1.00 0.00 C ATOM 690 O ILE A 44 -3.801 -2.483 -5.023 1.00 0.00 O ATOM 691 CB ILE A 44 -5.805 -0.064 -6.007 1.00 0.00 C ATOM 692 CG1 ILE A 44 -6.753 1.084 -5.649 1.00 0.00 C ATOM 693 CG2 ILE A 44 -6.241 -0.728 -7.304 1.00 0.00 C ATOM 694 CD1 ILE A 44 -6.042 2.311 -5.121 1.00 0.00 C ATOM 0 H ILE A 44 -4.104 -0.488 -3.659 1.00 0.00 H new ATOM 0 HA ILE A 44 -6.742 -1.390 -4.551 1.00 0.00 H new ATOM 0 HB ILE A 44 -4.803 0.335 -6.163 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -7.328 1.359 -6.533 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.466 0.737 -4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -6.277 0.016 -8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -5.529 -1.510 -7.570 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -7.230 -1.167 -7.173 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.774 3.084 -4.888 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.489 2.051 -4.218 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.349 2.683 -5.876 1.00 0.00 H new ATOM 706 N PHE A 45 -5.664 -3.190 -6.051 1.00 0.00 N ATOM 707 CA PHE A 45 -5.060 -4.404 -6.605 1.00 0.00 C ATOM 708 C PHE A 45 -5.475 -4.542 -8.060 1.00 0.00 C ATOM 709 O PHE A 45 -6.526 -4.044 -8.444 1.00 0.00 O ATOM 710 CB PHE A 45 -5.455 -5.656 -5.808 1.00 0.00 C ATOM 711 CG PHE A 45 -5.246 -6.947 -6.553 1.00 0.00 C ATOM 712 CD1 PHE A 45 -3.992 -7.411 -6.868 1.00 0.00 C ATOM 713 CD2 PHE A 45 -6.321 -7.668 -6.958 1.00 0.00 C ATOM 714 CE1 PHE A 45 -3.817 -8.575 -7.582 1.00 0.00 C ATOM 715 CE2 PHE A 45 -6.176 -8.840 -7.670 1.00 0.00 C ATOM 716 CZ PHE A 45 -4.917 -9.297 -7.987 1.00 0.00 C ATOM 0 H PHE A 45 -6.648 -3.069 -6.292 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.976 -4.315 -6.535 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.877 -5.684 -4.884 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.505 -5.578 -5.525 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.125 -6.851 -6.549 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.313 -7.316 -6.717 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.822 -8.920 -7.823 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.048 -9.398 -7.978 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.793 -10.212 -8.547 1.00 0.00 H new ATOM 726 N ALA A 46 -4.677 -5.262 -8.847 1.00 0.00 N ATOM 727 CA ALA A 46 -4.977 -5.517 -10.257 1.00 0.00 C ATOM 728 C ALA A 46 -5.850 -4.429 -10.893 1.00 0.00 C ATOM 729 O ALA A 46 -6.725 -4.726 -11.708 1.00 0.00 O ATOM 730 CB ALA A 46 -5.634 -6.879 -10.392 1.00 0.00 C ATOM 0 H ALA A 46 -3.806 -5.685 -8.527 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.033 -5.501 -10.801 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.859 -7.072 -11.441 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.958 -7.648 -10.018 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.558 -6.896 -9.814 1.00 0.00 H new ATOM 736 N GLY A 47 -5.612 -3.174 -10.521 1.00 0.00 N ATOM 737 CA GLY A 47 -6.390 -2.070 -11.070 1.00 0.00 C ATOM 738 C GLY A 47 -7.762 -1.908 -10.439 1.00 0.00 C ATOM 739 O GLY A 47 -8.416 -0.884 -10.631 1.00 0.00 O ATOM 0 H GLY A 47 -4.895 -2.899 -9.850 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -5.830 -1.144 -10.940 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.510 -2.222 -12.143 1.00 0.00 H new ATOM 743 N LYS A 48 -8.198 -2.900 -9.674 1.00 0.00 N ATOM 744 CA LYS A 48 -9.489 -2.829 -9.014 1.00 0.00 C ATOM 745 C LYS A 48 -9.319 -2.259 -7.611 1.00 0.00 C ATOM 746 O LYS A 48 -8.554 -2.781 -6.801 1.00 0.00 O ATOM 747 CB LYS A 48 -10.149 -4.205 -8.964 1.00 0.00 C ATOM 748 CG LYS A 48 -10.723 -4.652 -10.299 1.00 0.00 C ATOM 749 CD LYS A 48 -9.636 -5.100 -11.265 1.00 0.00 C ATOM 750 CE LYS A 48 -8.972 -6.388 -10.804 1.00 0.00 C ATOM 751 NZ LYS A 48 -9.876 -7.563 -10.947 1.00 0.00 N ATOM 0 H LYS A 48 -7.677 -3.759 -9.497 1.00 0.00 H new ATOM 0 HA LYS A 48 -10.141 -2.169 -9.586 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -9.416 -4.939 -8.629 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.947 -4.190 -8.221 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.424 -5.471 -10.136 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -11.288 -3.833 -10.743 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.067 -5.247 -12.255 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.885 -4.316 -11.357 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.064 -6.556 -11.384 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.670 -6.287 -9.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.057 -7.978 -10.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.776 -7.259 -11.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.428 -8.273 -11.560 1.00 0.00 H new ATOM 765 N GLU A 49 -10.011 -1.160 -7.356 1.00 0.00 N ATOM 766 CA GLU A 49 -9.922 -0.458 -6.075 1.00 0.00 C ATOM 767 C GLU A 49 -10.400 -1.314 -4.897 1.00 0.00 C ATOM 768 O GLU A 49 -11.467 -1.926 -4.944 1.00 0.00 O ATOM 769 CB GLU A 49 -10.740 0.833 -6.139 1.00 0.00 C ATOM 770 CG GLU A 49 -10.293 1.891 -5.143 1.00 0.00 C ATOM 771 CD GLU A 49 -10.133 3.259 -5.777 1.00 0.00 C ATOM 772 OE1 GLU A 49 -9.106 3.484 -6.452 1.00 0.00 O ATOM 773 OE2 GLU A 49 -11.033 4.106 -5.598 1.00 0.00 O ATOM 0 H GLU A 49 -10.649 -0.727 -8.024 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.870 -0.233 -5.903 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.674 1.244 -7.146 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -11.789 0.597 -5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -11.020 1.953 -4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.345 1.588 -4.698 1.00 0.00 H new ATOM 780 N LEU A 50 -9.563 -1.348 -3.854 1.00 0.00 N ATOM 781 CA LEU A 50 -9.804 -2.115 -2.624 1.00 0.00 C ATOM 782 C LEU A 50 -11.267 -2.466 -2.361 1.00 0.00 C ATOM 783 O LEU A 50 -12.042 -1.645 -1.869 1.00 0.00 O ATOM 784 CB LEU A 50 -9.257 -1.353 -1.415 1.00 0.00 C ATOM 785 CG LEU A 50 -9.941 -0.016 -1.095 1.00 0.00 C ATOM 786 CD1 LEU A 50 -9.144 0.754 -0.054 1.00 0.00 C ATOM 787 CD2 LEU A 50 -10.121 0.823 -2.351 1.00 0.00 C ATOM 0 H LEU A 50 -8.682 -0.834 -3.840 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.282 -3.060 -2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.335 -1.997 -0.539 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -8.196 -1.165 -1.579 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.929 -0.233 -0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.643 1.699 0.161 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -9.074 0.164 0.860 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.142 0.951 -0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.608 1.764 -2.094 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.147 1.028 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.738 0.279 -3.066 1.00 0.00 H new ATOM 799 N ARG A 51 -11.612 -3.719 -2.627 1.00 0.00 N ATOM 800 CA ARG A 51 -12.946 -4.232 -2.358 1.00 0.00 C ATOM 801 C ARG A 51 -12.838 -5.478 -1.474 1.00 0.00 C ATOM 802 O ARG A 51 -12.232 -6.473 -1.865 1.00 0.00 O ATOM 803 CB ARG A 51 -13.701 -4.539 -3.651 1.00 0.00 C ATOM 804 CG ARG A 51 -14.932 -3.669 -3.850 1.00 0.00 C ATOM 805 CD ARG A 51 -14.558 -2.274 -4.324 1.00 0.00 C ATOM 806 NE ARG A 51 -14.757 -2.114 -5.763 1.00 0.00 N ATOM 807 CZ ARG A 51 -15.934 -1.843 -6.323 1.00 0.00 C ATOM 808 NH1 ARG A 51 -17.019 -1.703 -5.572 1.00 0.00 N ATOM 809 NH2 ARG A 51 -16.026 -1.714 -7.640 1.00 0.00 N ATOM 0 H ARG A 51 -10.976 -4.405 -3.034 1.00 0.00 H new ATOM 0 HA ARG A 51 -13.517 -3.466 -1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -13.028 -4.403 -4.498 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -14.002 -5.587 -3.648 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -15.595 -4.136 -4.578 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.485 -3.600 -2.913 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -15.158 -1.537 -3.791 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -13.515 -2.075 -4.078 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.947 -2.216 -6.374 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -16.954 -1.803 -4.559 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.918 -1.495 -6.008 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -15.196 -1.822 -8.222 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.927 -1.506 -8.070 1.00 0.00 H new ATOM 823 N ASN A 52 -13.408 -5.394 -0.283 1.00 0.00 N ATOM 824 CA ASN A 52 -13.372 -6.474 0.701 1.00 0.00 C ATOM 825 C ASN A 52 -13.547 -7.856 0.076 1.00 0.00 C ATOM 826 O ASN A 52 -12.824 -8.785 0.422 1.00 0.00 O ATOM 827 CB ASN A 52 -14.452 -6.248 1.759 1.00 0.00 C ATOM 828 CG ASN A 52 -15.852 -6.313 1.182 1.00 0.00 C ATOM 829 OD1 ASN A 52 -16.297 -5.391 0.498 1.00 0.00 O ATOM 830 ND2 ASN A 52 -16.554 -7.407 1.455 1.00 0.00 N ATOM 0 H ASN A 52 -13.915 -4.568 0.035 1.00 0.00 H new ATOM 0 HA ASN A 52 -12.383 -6.453 1.158 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -14.350 -6.998 2.543 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -14.300 -5.275 2.227 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -17.502 -7.508 1.093 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.145 -8.146 2.026 1.00 0.00 H new ATOM 837 N ASP A 53 -14.524 -8.012 -0.807 1.00 0.00 N ATOM 838 CA ASP A 53 -14.775 -9.311 -1.427 1.00 0.00 C ATOM 839 C ASP A 53 -14.668 -9.261 -2.951 1.00 0.00 C ATOM 840 O ASP A 53 -14.653 -10.298 -3.612 1.00 0.00 O ATOM 841 CB ASP A 53 -16.162 -9.816 -1.027 1.00 0.00 C ATOM 842 CG ASP A 53 -16.098 -11.021 -0.110 1.00 0.00 C ATOM 843 OD1 ASP A 53 -15.075 -11.181 0.590 1.00 0.00 O ATOM 844 OD2 ASP A 53 -17.070 -11.805 -0.090 1.00 0.00 O ATOM 0 H ASP A 53 -15.151 -7.266 -1.109 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.006 -9.995 -1.067 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -16.708 -9.014 -0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.723 -10.076 -1.924 1.00 0.00 H new ATOM 849 N TRP A 54 -14.649 -8.060 -3.513 1.00 0.00 N ATOM 850 CA TRP A 54 -14.606 -7.907 -4.964 1.00 0.00 C ATOM 851 C TRP A 54 -13.216 -7.662 -5.529 1.00 0.00 C ATOM 852 O TRP A 54 -12.968 -8.002 -6.684 1.00 0.00 O ATOM 853 CB TRP A 54 -15.502 -6.759 -5.374 1.00 0.00 C ATOM 854 CG TRP A 54 -15.955 -6.828 -6.798 1.00 0.00 C ATOM 855 CD1 TRP A 54 -16.947 -7.611 -7.314 1.00 0.00 C ATOM 856 CD2 TRP A 54 -15.425 -6.075 -7.893 1.00 0.00 C ATOM 857 NE1 TRP A 54 -17.065 -7.389 -8.666 1.00 0.00 N ATOM 858 CE2 TRP A 54 -16.141 -6.449 -9.044 1.00 0.00 C ATOM 859 CE3 TRP A 54 -14.411 -5.118 -8.008 1.00 0.00 C ATOM 860 CZ2 TRP A 54 -15.876 -5.901 -10.296 1.00 0.00 C ATOM 861 CZ3 TRP A 54 -14.150 -4.574 -9.251 1.00 0.00 C ATOM 862 CH2 TRP A 54 -14.880 -4.966 -10.380 1.00 0.00 C ATOM 0 H TRP A 54 -14.663 -7.183 -2.993 1.00 0.00 H new ATOM 0 HA TRP A 54 -14.947 -8.858 -5.374 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -16.377 -6.743 -4.724 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -14.970 -5.821 -5.216 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -17.550 -8.303 -6.745 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -17.731 -7.849 -9.287 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -13.843 -4.810 -7.142 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -16.436 -6.203 -11.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -13.370 -3.834 -9.354 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -14.652 -4.521 -11.337 1.00 0.00 H new ATOM 873 N THR A 55 -12.321 -7.039 -4.762 1.00 0.00 N ATOM 874 CA THR A 55 -10.978 -6.749 -5.277 1.00 0.00 C ATOM 875 C THR A 55 -9.873 -7.610 -4.649 1.00 0.00 C ATOM 876 O THR A 55 -8.804 -7.765 -5.235 1.00 0.00 O ATOM 877 CB THR A 55 -10.648 -5.274 -5.092 1.00 0.00 C ATOM 878 OG1 THR A 55 -10.839 -4.564 -6.297 1.00 0.00 O ATOM 879 CG2 THR A 55 -9.230 -5.021 -4.630 1.00 0.00 C ATOM 0 H THR A 55 -12.492 -6.731 -3.805 1.00 0.00 H new ATOM 0 HA THR A 55 -11.004 -7.002 -6.337 1.00 0.00 H new ATOM 0 HB THR A 55 -11.328 -4.927 -4.314 1.00 0.00 H new ATOM 0 HG1 THR A 55 -11.066 -3.632 -6.095 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.069 -3.949 -4.520 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.067 -5.512 -3.671 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.531 -5.420 -5.365 1.00 0.00 H new ATOM 887 N VAL A 56 -10.094 -8.104 -3.439 1.00 0.00 N ATOM 888 CA VAL A 56 -9.053 -8.863 -2.741 1.00 0.00 C ATOM 889 C VAL A 56 -8.935 -10.338 -3.177 1.00 0.00 C ATOM 890 O VAL A 56 -8.937 -10.637 -4.363 1.00 0.00 O ATOM 891 CB VAL A 56 -9.389 -8.780 -1.250 1.00 0.00 C ATOM 892 CG1 VAL A 56 -9.702 -7.349 -0.895 1.00 0.00 C ATOM 893 CG2 VAL A 56 -10.596 -9.625 -0.910 1.00 0.00 C ATOM 0 H VAL A 56 -10.968 -7.999 -2.923 1.00 0.00 H new ATOM 0 HA VAL A 56 -8.084 -8.427 -2.985 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.530 -9.147 -0.689 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.943 -7.282 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.836 -6.723 -1.111 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -10.554 -7.006 -1.483 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.808 -9.544 0.156 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.457 -9.275 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -10.394 -10.666 -1.162 1.00 0.00 H new ATOM 903 N GLN A 57 -8.862 -11.262 -2.209 1.00 0.00 N ATOM 904 CA GLN A 57 -8.779 -12.688 -2.501 1.00 0.00 C ATOM 905 C GLN A 57 -10.141 -13.168 -2.952 1.00 0.00 C ATOM 906 O GLN A 57 -10.262 -14.009 -3.843 1.00 0.00 O ATOM 907 CB GLN A 57 -8.314 -13.470 -1.272 1.00 0.00 C ATOM 908 CG GLN A 57 -9.038 -13.090 0.009 1.00 0.00 C ATOM 909 CD GLN A 57 -9.113 -14.237 1.000 1.00 0.00 C ATOM 910 OE1 GLN A 57 -10.135 -14.439 1.656 1.00 0.00 O ATOM 911 NE2 GLN A 57 -8.028 -14.993 1.113 1.00 0.00 N ATOM 0 H GLN A 57 -8.859 -11.039 -1.214 1.00 0.00 H new ATOM 0 HA GLN A 57 -8.048 -12.855 -3.292 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.456 -14.535 -1.456 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.245 -13.310 -1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -8.528 -12.246 0.474 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.047 -12.758 -0.234 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -7.203 -14.789 0.549 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -8.019 -15.778 1.764 1.00 0.00 H new ATOM 920 N ASN A 58 -11.174 -12.578 -2.356 1.00 0.00 N ATOM 921 CA ASN A 58 -12.542 -12.893 -2.726 1.00 0.00 C ATOM 922 C ASN A 58 -12.831 -12.290 -4.099 1.00 0.00 C ATOM 923 O ASN A 58 -13.926 -12.433 -4.643 1.00 0.00 O ATOM 924 CB ASN A 58 -13.526 -12.366 -1.679 1.00 0.00 C ATOM 925 CG ASN A 58 -14.168 -13.482 -0.879 1.00 0.00 C ATOM 926 OD1 ASN A 58 -13.504 -14.166 -0.099 1.00 0.00 O ATOM 927 ND2 ASN A 58 -15.469 -13.674 -1.069 1.00 0.00 N ATOM 0 H ASN A 58 -11.085 -11.881 -1.617 1.00 0.00 H new ATOM 0 HA ASN A 58 -12.667 -13.975 -2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.004 -11.690 -1.001 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.303 -11.784 -2.175 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -15.956 -14.411 -0.559 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -15.981 -13.084 -1.725 1.00 0.00 H new ATOM 934 N CYS A 59 -11.808 -11.643 -4.656 1.00 0.00 N ATOM 935 CA CYS A 59 -11.897 -11.040 -5.967 1.00 0.00 C ATOM 936 C CYS A 59 -11.302 -12.006 -6.999 1.00 0.00 C ATOM 937 O CYS A 59 -12.022 -12.742 -7.675 1.00 0.00 O ATOM 938 CB CYS A 59 -11.085 -9.741 -5.942 1.00 0.00 C ATOM 939 SG CYS A 59 -10.602 -9.118 -7.576 1.00 0.00 S ATOM 0 H CYS A 59 -10.900 -11.527 -4.205 1.00 0.00 H new ATOM 0 HA CYS A 59 -12.933 -10.829 -6.232 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.668 -8.973 -5.433 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -10.185 -9.902 -5.349 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.498 -8.279 -8.003 1.00 0.00 H new ATOM 945 N ASP A 60 -9.973 -12.032 -7.046 1.00 0.00 N ATOM 946 CA ASP A 60 -9.231 -12.944 -7.913 1.00 0.00 C ATOM 947 C ASP A 60 -7.749 -12.932 -7.541 1.00 0.00 C ATOM 948 O ASP A 60 -6.945 -12.303 -8.231 1.00 0.00 O ATOM 949 CB ASP A 60 -9.409 -12.550 -9.381 1.00 0.00 C ATOM 950 CG ASP A 60 -9.238 -13.728 -10.320 1.00 0.00 C ATOM 951 OD1 ASP A 60 -9.746 -14.823 -9.998 1.00 0.00 O ATOM 952 OD2 ASP A 60 -8.598 -13.556 -11.378 1.00 0.00 O ATOM 0 H ASP A 60 -9.380 -11.422 -6.484 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.623 -13.952 -7.774 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -10.400 -12.118 -9.521 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.685 -11.776 -9.637 1.00 0.00 H new ATOM 957 N LEU A 61 -7.377 -13.593 -6.449 1.00 0.00 N ATOM 958 CA LEU A 61 -5.984 -13.600 -6.016 1.00 0.00 C ATOM 959 C LEU A 61 -5.361 -14.987 -6.054 1.00 0.00 C ATOM 960 O LEU A 61 -6.036 -16.001 -5.883 1.00 0.00 O ATOM 961 CB LEU A 61 -5.856 -13.021 -4.604 1.00 0.00 C ATOM 962 CG LEU A 61 -6.198 -11.527 -4.452 1.00 0.00 C ATOM 963 CD1 LEU A 61 -4.991 -10.738 -4.004 1.00 0.00 C ATOM 964 CD2 LEU A 61 -6.725 -10.932 -5.740 1.00 0.00 C ATOM 0 H LEU A 61 -8.012 -14.125 -5.854 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.439 -12.976 -6.724 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.505 -13.591 -3.939 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.833 -13.176 -4.261 1.00 0.00 H new ATOM 0 HG LEU A 61 -6.979 -11.464 -3.694 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.260 -9.686 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.645 -11.117 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.195 -10.841 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.953 -9.877 -5.587 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.971 -11.031 -6.521 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.630 -11.459 -6.041 1.00 0.00 H new ATOM 976 N ASP A 62 -4.051 -14.998 -6.255 1.00 0.00 N ATOM 977 CA ASP A 62 -3.275 -16.233 -6.292 1.00 0.00 C ATOM 978 C ASP A 62 -2.215 -16.195 -5.199 1.00 0.00 C ATOM 979 O ASP A 62 -2.098 -15.195 -4.489 1.00 0.00 O ATOM 980 CB ASP A 62 -2.616 -16.414 -7.661 1.00 0.00 C ATOM 981 CG ASP A 62 -2.468 -17.873 -8.044 1.00 0.00 C ATOM 982 OD1 ASP A 62 -2.403 -18.723 -7.130 1.00 0.00 O ATOM 983 OD2 ASP A 62 -2.415 -18.167 -9.257 1.00 0.00 O ATOM 0 H ASP A 62 -3.496 -14.154 -6.397 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.942 -17.078 -6.122 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -3.210 -15.901 -8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.634 -15.942 -7.653 1.00 0.00 H new ATOM 988 N GLN A 63 -1.445 -17.269 -5.045 1.00 0.00 N ATOM 989 CA GLN A 63 -0.415 -17.301 -4.011 1.00 0.00 C ATOM 990 C GLN A 63 0.568 -16.154 -4.210 1.00 0.00 C ATOM 991 O GLN A 63 1.001 -15.522 -3.247 1.00 0.00 O ATOM 992 CB GLN A 63 0.333 -18.636 -4.027 1.00 0.00 C ATOM 993 CG GLN A 63 -0.556 -19.838 -4.308 1.00 0.00 C ATOM 994 CD GLN A 63 -0.035 -21.110 -3.670 1.00 0.00 C ATOM 995 OE1 GLN A 63 0.888 -21.078 -2.857 1.00 0.00 O ATOM 996 NE2 GLN A 63 -0.626 -22.241 -4.039 1.00 0.00 N ATOM 0 H GLN A 63 -1.512 -18.114 -5.612 1.00 0.00 H new ATOM 0 HA GLN A 63 -0.903 -17.190 -3.043 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.118 -18.592 -4.782 1.00 0.00 H new ATOM 0 HB3 GLN A 63 0.825 -18.777 -3.064 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.561 -19.636 -3.938 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.635 -19.982 -5.385 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.388 -22.221 -4.717 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.318 -23.130 -3.645 1.00 0.00 H new ATOM 1005 N GLN A 64 0.884 -15.862 -5.468 1.00 0.00 N ATOM 1006 CA GLN A 64 1.779 -14.758 -5.784 1.00 0.00 C ATOM 1007 C GLN A 64 1.023 -13.693 -6.571 1.00 0.00 C ATOM 1008 O GLN A 64 1.042 -13.688 -7.802 1.00 0.00 O ATOM 1009 CB GLN A 64 2.982 -15.257 -6.589 1.00 0.00 C ATOM 1010 CG GLN A 64 4.282 -15.261 -5.801 1.00 0.00 C ATOM 1011 CD GLN A 64 5.466 -14.794 -6.625 1.00 0.00 C ATOM 1012 OE1 GLN A 64 6.191 -15.602 -7.204 1.00 0.00 O ATOM 1013 NE2 GLN A 64 5.667 -13.483 -6.680 1.00 0.00 N ATOM 0 H GLN A 64 0.535 -16.372 -6.280 1.00 0.00 H new ATOM 0 HA GLN A 64 2.145 -14.323 -4.854 1.00 0.00 H new ATOM 0 HB2 GLN A 64 2.778 -16.268 -6.943 1.00 0.00 H new ATOM 0 HB3 GLN A 64 3.104 -14.629 -7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.175 -14.617 -4.928 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.476 -16.268 -5.432 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.040 -12.850 -6.184 1.00 0.00 H new ATOM 0 HE22 GLN A 64 6.448 -13.109 -7.218 1.00 0.00 H new ATOM 1022 N SER A 65 0.354 -12.798 -5.856 1.00 0.00 N ATOM 1023 CA SER A 65 -0.412 -11.734 -6.496 1.00 0.00 C ATOM 1024 C SER A 65 0.331 -10.405 -6.446 1.00 0.00 C ATOM 1025 O SER A 65 1.279 -10.242 -5.681 1.00 0.00 O ATOM 1026 CB SER A 65 -1.784 -11.592 -5.828 1.00 0.00 C ATOM 1027 OG SER A 65 -1.888 -12.425 -4.686 1.00 0.00 O ATOM 0 H SER A 65 0.325 -12.786 -4.836 1.00 0.00 H new ATOM 0 HA SER A 65 -0.548 -12.006 -7.543 1.00 0.00 H new ATOM 0 HB2 SER A 65 -1.945 -10.553 -5.539 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.567 -11.849 -6.541 1.00 0.00 H new ATOM 0 HG SER A 65 -1.947 -13.362 -4.969 1.00 0.00 H new ATOM 1033 N ILE A 66 -0.126 -9.446 -7.240 1.00 0.00 N ATOM 1034 CA ILE A 66 0.471 -8.120 -7.244 1.00 0.00 C ATOM 1035 C ILE A 66 -0.635 -7.093 -7.049 1.00 0.00 C ATOM 1036 O ILE A 66 -1.583 -7.041 -7.829 1.00 0.00 O ATOM 1037 CB ILE A 66 1.269 -7.835 -8.537 1.00 0.00 C ATOM 1038 CG1 ILE A 66 0.341 -7.491 -9.708 1.00 0.00 C ATOM 1039 CG2 ILE A 66 2.141 -9.031 -8.889 1.00 0.00 C ATOM 1040 CD1 ILE A 66 -0.636 -8.595 -10.052 1.00 0.00 C ATOM 0 H ILE A 66 -0.906 -9.562 -7.887 1.00 0.00 H new ATOM 0 HA ILE A 66 1.190 -8.059 -6.427 1.00 0.00 H new ATOM 0 HB ILE A 66 1.905 -6.969 -8.353 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.217 -6.587 -9.465 1.00 0.00 H new ATOM 0 HG13 ILE A 66 0.946 -7.266 -10.586 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.698 -8.819 -9.801 1.00 0.00 H new ATOM 0 HG22 ILE A 66 2.839 -9.225 -8.074 1.00 0.00 H new ATOM 0 HG23 ILE A 66 1.511 -9.907 -9.044 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -1.260 -8.281 -10.889 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.086 -9.495 -10.327 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.267 -8.805 -9.188 1.00 0.00 H new ATOM 1052 N VAL A 67 -0.527 -6.306 -5.989 1.00 0.00 N ATOM 1053 CA VAL A 67 -1.533 -5.316 -5.660 1.00 0.00 C ATOM 1054 C VAL A 67 -0.964 -3.905 -5.691 1.00 0.00 C ATOM 1055 O VAL A 67 0.127 -3.649 -5.179 1.00 0.00 O ATOM 1056 CB VAL A 67 -2.119 -5.634 -4.266 1.00 0.00 C ATOM 1057 CG1 VAL A 67 -3.168 -4.627 -3.853 1.00 0.00 C ATOM 1058 CG2 VAL A 67 -2.712 -7.032 -4.251 1.00 0.00 C ATOM 0 H VAL A 67 0.257 -6.338 -5.338 1.00 0.00 H new ATOM 0 HA VAL A 67 -2.322 -5.360 -6.410 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.301 -5.578 -3.548 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.554 -4.887 -2.867 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -2.724 -3.632 -3.818 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.984 -4.634 -4.576 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.121 -7.243 -3.263 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.506 -7.098 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.935 -7.759 -4.485 1.00 0.00 H new ATOM 1068 N HIS A 68 -1.717 -2.993 -6.289 1.00 0.00 N ATOM 1069 CA HIS A 68 -1.294 -1.591 -6.381 1.00 0.00 C ATOM 1070 C HIS A 68 -1.819 -0.808 -5.183 1.00 0.00 C ATOM 1071 O HIS A 68 -3.009 -0.520 -5.094 1.00 0.00 O ATOM 1072 CB HIS A 68 -1.803 -0.965 -7.681 1.00 0.00 C ATOM 1073 CG HIS A 68 -0.847 0.015 -8.286 1.00 0.00 C ATOM 1074 ND1 HIS A 68 -1.188 1.321 -8.573 1.00 0.00 N ATOM 1075 CD2 HIS A 68 0.447 -0.123 -8.660 1.00 0.00 C ATOM 1076 CE1 HIS A 68 -0.146 1.940 -9.098 1.00 0.00 C ATOM 1077 NE2 HIS A 68 0.859 1.087 -9.161 1.00 0.00 N ATOM 0 H HIS A 68 -2.621 -3.191 -6.718 1.00 0.00 H new ATOM 0 HA HIS A 68 -0.205 -1.554 -6.380 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.004 -1.757 -8.402 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.751 -0.463 -7.487 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.044 -1.019 -8.579 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.121 2.970 -9.421 1.00 0.00 H new ATOM 0 HE2 HIS A 68 1.790 1.293 -9.523 1.00 0.00 H new ATOM 1086 N ILE A 69 -0.937 -0.474 -4.251 1.00 0.00 N ATOM 1087 CA ILE A 69 -1.353 0.244 -3.053 1.00 0.00 C ATOM 1088 C ILE A 69 -0.942 1.699 -3.031 1.00 0.00 C ATOM 1089 O ILE A 69 0.158 2.064 -3.435 1.00 0.00 O ATOM 1090 CB ILE A 69 -0.768 -0.389 -1.781 1.00 0.00 C ATOM 1091 CG1 ILE A 69 -1.105 -1.882 -1.715 1.00 0.00 C ATOM 1092 CG2 ILE A 69 -1.277 0.360 -0.548 1.00 0.00 C ATOM 1093 CD1 ILE A 69 -0.018 -2.768 -2.280 1.00 0.00 C ATOM 0 H ILE A 69 0.060 -0.685 -4.299 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.441 0.177 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 69 0.318 -0.304 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -1.287 -2.160 -0.677 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -2.031 -2.062 -2.261 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.859 -0.093 0.351 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.970 1.404 -0.604 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.365 0.303 -0.511 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.322 -3.812 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.149 -2.516 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.904 -2.616 -1.719 1.00 0.00 H new ATOM 1105 N VAL A 70 -1.810 2.503 -2.447 1.00 0.00 N ATOM 1106 CA VAL A 70 -1.529 3.895 -2.240 1.00 0.00 C ATOM 1107 C VAL A 70 -1.924 4.221 -0.808 1.00 0.00 C ATOM 1108 O VAL A 70 -2.910 4.904 -0.556 1.00 0.00 O ATOM 1109 CB VAL A 70 -2.297 4.799 -3.222 1.00 0.00 C ATOM 1110 CG1 VAL A 70 -1.756 6.219 -3.175 1.00 0.00 C ATOM 1111 CG2 VAL A 70 -2.216 4.241 -4.636 1.00 0.00 C ATOM 0 H VAL A 70 -2.724 2.203 -2.107 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.470 4.082 -2.417 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.345 4.822 -2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.311 6.843 -3.875 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.868 6.618 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.701 6.216 -3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.764 4.893 -5.316 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.173 4.187 -4.947 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.653 3.243 -4.659 1.00 0.00 H new ATOM 1121 N GLN A 71 -1.118 3.731 0.127 1.00 0.00 N ATOM 1122 CA GLN A 71 -1.347 3.966 1.545 1.00 0.00 C ATOM 1123 C GLN A 71 -0.177 4.748 2.118 1.00 0.00 C ATOM 1124 O GLN A 71 0.638 4.223 2.873 1.00 0.00 O ATOM 1125 CB GLN A 71 -1.495 2.626 2.272 1.00 0.00 C ATOM 1126 CG GLN A 71 -2.470 2.640 3.439 1.00 0.00 C ATOM 1127 CD GLN A 71 -3.847 3.147 3.062 1.00 0.00 C ATOM 1128 OE1 GLN A 71 -4.031 4.325 2.772 1.00 0.00 O ATOM 1129 NE2 GLN A 71 -4.826 2.254 3.070 1.00 0.00 N ATOM 0 H GLN A 71 -0.294 3.164 -0.075 1.00 0.00 H new ATOM 0 HA GLN A 71 -2.263 4.541 1.680 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -1.820 1.873 1.554 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.516 2.317 2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.559 1.631 3.841 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -2.065 3.266 4.235 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -4.630 1.284 3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.776 2.537 2.829 1.00 0.00 H new ATOM 1138 N ARG A 72 -0.103 6.009 1.725 1.00 0.00 N ATOM 1139 CA ARG A 72 0.966 6.902 2.162 1.00 0.00 C ATOM 1140 C ARG A 72 0.438 8.282 2.565 1.00 0.00 C ATOM 1141 O ARG A 72 -0.423 8.846 1.889 1.00 0.00 O ATOM 1142 CB ARG A 72 2.001 7.046 1.051 1.00 0.00 C ATOM 1143 CG ARG A 72 2.872 5.815 0.883 1.00 0.00 C ATOM 1144 CD ARG A 72 4.333 6.188 0.681 1.00 0.00 C ATOM 1145 NE ARG A 72 5.117 5.072 0.156 1.00 0.00 N ATOM 1146 CZ ARG A 72 6.376 5.183 -0.260 1.00 0.00 C ATOM 1147 NH1 ARG A 72 6.996 6.356 -0.221 1.00 0.00 N ATOM 1148 NH2 ARG A 72 7.019 4.118 -0.720 1.00 0.00 N ATOM 0 H ARG A 72 -0.778 6.445 1.096 1.00 0.00 H new ATOM 0 HA ARG A 72 1.426 6.459 3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.489 7.252 0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.636 7.906 1.264 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.776 5.178 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.522 5.235 0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.400 7.032 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.758 6.514 1.630 1.00 0.00 H new ATOM 0 HE ARG A 72 4.673 4.155 0.106 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.507 7.180 0.130 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.961 6.434 -0.542 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.548 3.214 -0.755 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.984 4.203 -1.039 1.00 0.00 H new ATOM 1162 N PRO A 73 0.966 8.855 3.664 1.00 0.00 N ATOM 1163 CA PRO A 73 0.563 10.185 4.145 1.00 0.00 C ATOM 1164 C PRO A 73 0.901 11.282 3.140 1.00 0.00 C ATOM 1165 O PRO A 73 1.740 11.090 2.261 1.00 0.00 O ATOM 1166 CB PRO A 73 1.374 10.371 5.430 1.00 0.00 C ATOM 1167 CG PRO A 73 2.528 9.442 5.289 1.00 0.00 C ATOM 1168 CD PRO A 73 2.011 8.263 4.517 1.00 0.00 C ATOM 0 HA PRO A 73 -0.514 10.252 4.299 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.708 11.403 5.541 1.00 0.00 H new ATOM 0 HB3 PRO A 73 0.779 10.132 6.311 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.354 9.921 4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 73 2.905 9.136 6.265 1.00 0.00 H new ATOM 0 HD2 PRO A 73 2.796 7.793 3.925 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.606 7.495 5.176 1.00 0.00 H new ATOM 1176 N TRP A 74 0.252 12.432 3.279 1.00 0.00 N ATOM 1177 CA TRP A 74 0.497 13.558 2.380 1.00 0.00 C ATOM 1178 C TRP A 74 1.538 14.502 2.978 1.00 0.00 C ATOM 1179 O TRP A 74 1.272 15.193 3.960 1.00 0.00 O ATOM 1180 CB TRP A 74 -0.799 14.329 2.079 1.00 0.00 C ATOM 1181 CG TRP A 74 -1.992 13.867 2.864 1.00 0.00 C ATOM 1182 CD1 TRP A 74 -3.020 13.092 2.412 1.00 0.00 C ATOM 1183 CD2 TRP A 74 -2.277 14.152 4.238 1.00 0.00 C ATOM 1184 NE1 TRP A 74 -3.927 12.877 3.421 1.00 0.00 N ATOM 1185 CE2 TRP A 74 -3.494 13.518 4.552 1.00 0.00 C ATOM 1186 CE3 TRP A 74 -1.621 14.883 5.234 1.00 0.00 C ATOM 1187 CZ2 TRP A 74 -4.067 13.592 5.819 1.00 0.00 C ATOM 1188 CZ3 TRP A 74 -2.191 14.955 6.491 1.00 0.00 C ATOM 1189 CH2 TRP A 74 -3.403 14.312 6.775 1.00 0.00 C ATOM 0 H TRP A 74 -0.445 12.611 4.002 1.00 0.00 H new ATOM 0 HA TRP A 74 0.877 13.154 1.442 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -0.633 15.387 2.282 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -1.022 14.239 1.016 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -3.108 12.704 1.408 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -4.784 12.329 3.341 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -0.686 15.382 5.025 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.002 13.099 6.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -1.694 15.517 7.268 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -3.822 14.386 7.768 1.00 0.00 H new ATOM 1200 N ARG A 75 2.724 14.521 2.378 1.00 0.00 N ATOM 1201 CA ARG A 75 3.807 15.375 2.852 1.00 0.00 C ATOM 1202 C ARG A 75 3.780 16.733 2.155 1.00 0.00 C ATOM 1203 O ARG A 75 4.082 16.838 0.967 1.00 0.00 O ATOM 1204 CB ARG A 75 5.158 14.693 2.622 1.00 0.00 C ATOM 1205 CG ARG A 75 5.987 14.545 3.887 1.00 0.00 C ATOM 1206 CD ARG A 75 7.474 14.503 3.578 1.00 0.00 C ATOM 1207 NE ARG A 75 8.114 15.801 3.781 1.00 0.00 N ATOM 1208 CZ ARG A 75 9.426 15.967 3.921 1.00 0.00 C ATOM 1209 NH1 ARG A 75 10.243 14.921 3.881 1.00 0.00 N ATOM 1210 NH2 ARG A 75 9.926 17.182 4.102 1.00 0.00 N ATOM 0 H ARG A 75 2.959 13.955 1.563 1.00 0.00 H new ATOM 0 HA ARG A 75 3.667 15.537 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.989 13.706 2.191 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.726 15.268 1.890 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.778 15.377 4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 75 5.697 13.633 4.408 1.00 0.00 H new ATOM 0 HD2 ARG A 75 7.955 13.759 4.213 1.00 0.00 H new ATOM 0 HD3 ARG A 75 7.621 14.184 2.546 1.00 0.00 H new ATOM 0 HE ARG A 75 7.519 16.629 3.817 1.00 0.00 H new ATOM 0 HH11 ARG A 75 9.865 13.984 3.742 1.00 0.00 H new ATOM 0 HH12 ARG A 75 11.248 15.055 3.989 1.00 0.00 H new ATOM 0 HH21 ARG A 75 9.304 17.990 4.134 1.00 0.00 H new ATOM 0 HH22 ARG A 75 10.932 17.309 4.209 1.00 0.00 H new ATOM 1224 N LYS A 76 3.414 17.769 2.904 1.00 0.00 N ATOM 1225 CA LYS A 76 3.348 19.122 2.362 1.00 0.00 C ATOM 1226 C LYS A 76 4.671 19.519 1.713 1.00 0.00 C ATOM 1227 O LYS A 76 5.722 19.328 2.359 1.00 0.00 O ATOM 1228 CB LYS A 76 2.989 20.119 3.467 1.00 0.00 C ATOM 1229 CG LYS A 76 1.496 20.371 3.598 1.00 0.00 C ATOM 1230 CD LYS A 76 0.934 19.761 4.874 1.00 0.00 C ATOM 1231 CE LYS A 76 -0.529 19.379 4.714 1.00 0.00 C ATOM 1232 NZ LYS A 76 -0.799 18.000 5.208 1.00 0.00 N ATOM 0 H LYS A 76 3.158 17.697 3.889 1.00 0.00 H new ATOM 0 HA LYS A 76 2.572 19.140 1.597 1.00 0.00 H new ATOM 0 HB2 LYS A 76 3.371 19.748 4.418 1.00 0.00 H new ATOM 0 HB3 LYS A 76 3.493 21.065 3.269 1.00 0.00 H new ATOM 0 HG2 LYS A 76 1.306 21.444 3.593 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.979 19.952 2.735 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.514 18.878 5.142 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.038 20.472 5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.151 20.089 5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.810 19.450 3.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.807 17.777 5.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -0.224 17.320 4.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.555 17.939 6.217 1.00 0.00 H new TER 1246 LYS A 76