USER MOD reduce.3.24.130724 H: found=0, std=0, add=585, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 582 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= 0.509 K(o=1,f=-0.87) USER MOD Set 1.2: A 62 GLN : amide:sc= 0.533 K(o=1,f=-0.87) USER MOD Set 2.1: A 7 THR OG1 : rot 110:sc= 1.15 USER MOD Set 2.2: A 9 THR OG1 : rot -171:sc= 2.34 USER MOD Single : A 1 MET CE :methyl -172:sc= -0.193 (180deg=-0.371) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.555 X(o=-0.55,f=-0.067) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 138:sc= 1.25 (180deg=-0.529) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -84:sc= 0.581 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.043 USER MOD Single : A 25 ASN : amide:sc= 0.245 K(o=0.25,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.18 X(o=-0.18,f=0) USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00433) USER MOD Single : A 40 GLN : amide:sc= 0.51 K(o=0.51,f=-0.11) USER MOD Single : A 41 ASN : amide:sc= -0.0175 K(o=-0.017,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.995 X(o=-0.99,f=-1.5) USER MOD Single : A 55 THR OG1 : rot -58:sc= 1.26 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0.0931 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -114:sc= 1.31 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.022 -5.118 0.309 1.00 0.00 N ATOM 2 CA MET A 1 13.989 -4.291 0.947 1.00 0.00 C ATOM 3 C MET A 1 12.607 -4.861 0.679 1.00 0.00 C ATOM 4 O MET A 1 12.144 -4.844 -0.463 1.00 0.00 O ATOM 5 CB MET A 1 14.076 -2.826 0.494 1.00 0.00 C ATOM 6 CG MET A 1 12.988 -1.944 1.113 1.00 0.00 C ATOM 7 SD MET A 1 13.030 -0.231 0.527 1.00 0.00 S ATOM 8 CE MET A 1 12.110 0.557 1.869 1.00 0.00 C ATOM 0 H1 MET A 1 15.960 -4.713 0.503 1.00 0.00 H new ATOM 0 H2 MET A 1 14.977 -6.085 0.690 1.00 0.00 H new ATOM 0 H3 MET A 1 14.861 -5.143 -0.718 1.00 0.00 H new ATOM 0 HA MET A 1 14.167 -4.309 2.022 1.00 0.00 H new ATOM 0 HB2 MET A 1 15.055 -2.427 0.760 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.998 -2.782 -0.592 1.00 0.00 H new ATOM 0 HG2 MET A 1 12.012 -2.373 0.888 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.098 -1.952 2.197 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.911 1.597 1.612 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.166 0.033 2.020 1.00 0.00 H new ATOM 0 HE3 MET A 1 12.698 0.516 2.786 1.00 0.00 H new ATOM 18 N GLN A 2 11.951 -5.399 1.709 1.00 0.00 N ATOM 19 CA GLN A 2 10.600 -5.925 1.576 1.00 0.00 C ATOM 20 C GLN A 2 9.706 -5.153 2.544 1.00 0.00 C ATOM 21 O GLN A 2 10.192 -4.550 3.501 1.00 0.00 O ATOM 22 CB GLN A 2 10.521 -7.454 1.761 1.00 0.00 C ATOM 23 CG GLN A 2 10.990 -7.961 3.133 1.00 0.00 C ATOM 24 CD GLN A 2 10.288 -9.260 3.534 1.00 0.00 C ATOM 25 OE1 GLN A 2 10.361 -10.294 2.870 1.00 0.00 O ATOM 26 NE2 GLN A 2 9.574 -9.252 4.644 1.00 0.00 N ATOM 0 H GLN A 2 12.340 -5.480 2.648 1.00 0.00 H new ATOM 0 HA GLN A 2 10.248 -5.774 0.555 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.490 -7.772 1.604 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.123 -7.931 0.988 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.068 -8.123 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.798 -7.197 3.887 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.507 -8.400 5.201 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.089 -10.098 4.945 1.00 0.00 H new ATOM 35 N ILE A 3 8.408 -5.117 2.283 1.00 0.00 N ATOM 36 CA ILE A 3 7.416 -4.458 3.122 1.00 0.00 C ATOM 37 C ILE A 3 6.262 -5.439 3.310 1.00 0.00 C ATOM 38 O ILE A 3 6.168 -6.450 2.605 1.00 0.00 O ATOM 39 CB ILE A 3 6.974 -3.097 2.533 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.339 -3.247 1.131 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.162 -2.117 2.532 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.614 -1.982 0.659 1.00 0.00 C ATOM 0 H ILE A 3 8.003 -5.558 1.457 1.00 0.00 H new ATOM 0 HA ILE A 3 7.837 -4.206 4.095 1.00 0.00 H new ATOM 0 HB ILE A 3 6.192 -2.685 3.170 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.117 -3.502 0.412 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.634 -4.078 1.145 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.844 -1.161 2.116 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.513 -1.970 3.553 1.00 0.00 H new ATOM 0 HG23 ILE A 3 8.970 -2.526 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.191 -2.153 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 3 4.814 -1.739 1.358 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.321 -1.153 0.613 1.00 0.00 H new ATOM 54 N PHE A 4 5.356 -5.108 4.221 1.00 0.00 N ATOM 55 CA PHE A 4 4.187 -5.893 4.547 1.00 0.00 C ATOM 56 C PHE A 4 2.953 -5.023 4.333 1.00 0.00 C ATOM 57 O PHE A 4 3.019 -3.800 4.480 1.00 0.00 O ATOM 58 CB PHE A 4 4.277 -6.390 5.993 1.00 0.00 C ATOM 59 CG PHE A 4 5.508 -7.216 6.321 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.589 -8.548 5.883 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.550 -6.675 7.101 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.685 -9.351 6.247 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.651 -7.475 7.459 1.00 0.00 C ATOM 64 CZ PHE A 4 7.712 -8.817 7.047 1.00 0.00 C ATOM 0 H PHE A 4 5.424 -4.251 4.770 1.00 0.00 H new ATOM 0 HA PHE A 4 4.122 -6.771 3.904 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.251 -5.527 6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.391 -6.987 6.210 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.805 -8.958 5.263 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.503 -5.646 7.424 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.738 -10.377 5.913 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.451 -7.057 8.052 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.545 -9.437 7.344 1.00 0.00 H new ATOM 74 N VAL A 5 1.820 -5.627 3.977 1.00 0.00 N ATOM 75 CA VAL A 5 0.574 -4.901 3.750 1.00 0.00 C ATOM 76 C VAL A 5 -0.593 -5.690 4.340 1.00 0.00 C ATOM 77 O VAL A 5 -0.749 -6.867 4.020 1.00 0.00 O ATOM 78 CB VAL A 5 0.360 -4.612 2.242 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.534 -3.371 2.094 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.653 -4.368 1.442 1.00 0.00 C ATOM 0 H VAL A 5 1.741 -6.634 3.838 1.00 0.00 H new ATOM 0 HA VAL A 5 0.631 -3.936 4.253 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.097 -5.512 1.830 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.690 -3.159 1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.495 -3.556 2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.051 -2.516 2.567 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.404 -4.175 0.399 1.00 0.00 H new ATOM 0 HG22 VAL A 5 2.180 -3.508 1.855 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.292 -5.249 1.505 1.00 0.00 H new ATOM 90 N LYS A 6 -1.391 -5.076 5.215 1.00 0.00 N ATOM 91 CA LYS A 6 -2.566 -5.708 5.820 1.00 0.00 C ATOM 92 C LYS A 6 -3.740 -5.373 4.897 1.00 0.00 C ATOM 93 O LYS A 6 -4.073 -4.191 4.757 1.00 0.00 O ATOM 94 CB LYS A 6 -2.778 -5.172 7.250 1.00 0.00 C ATOM 95 CG LYS A 6 -3.968 -5.819 7.988 1.00 0.00 C ATOM 96 CD LYS A 6 -3.802 -7.317 8.299 1.00 0.00 C ATOM 97 CE LYS A 6 -2.616 -7.660 9.212 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.868 -7.304 10.622 1.00 0.00 N ATOM 0 H LYS A 6 -1.239 -4.117 5.527 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.455 -6.788 5.916 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.870 -5.339 7.829 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.933 -4.094 7.205 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.130 -5.285 8.924 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.866 -5.686 7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -4.718 -7.680 8.766 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.687 -7.858 7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.404 -8.727 9.142 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.728 -7.135 8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.039 -7.555 11.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.044 -6.282 10.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.699 -7.824 10.968 1.00 0.00 H new ATOM 112 N THR A 7 -4.299 -6.355 4.193 1.00 0.00 N ATOM 113 CA THR A 7 -5.425 -6.142 3.288 1.00 0.00 C ATOM 114 C THR A 7 -6.745 -6.148 4.067 1.00 0.00 C ATOM 115 O THR A 7 -6.832 -6.729 5.150 1.00 0.00 O ATOM 116 CB THR A 7 -5.415 -7.237 2.202 1.00 0.00 C ATOM 117 OG1 THR A 7 -5.220 -8.506 2.774 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.297 -7.030 1.177 1.00 0.00 C ATOM 0 H THR A 7 -3.982 -7.324 4.235 1.00 0.00 H new ATOM 0 HA THR A 7 -5.330 -5.168 2.808 1.00 0.00 H new ATOM 0 HB THR A 7 -6.384 -7.172 1.706 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.046 -9.028 2.701 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.333 -7.827 0.434 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.430 -6.067 0.683 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.332 -7.048 1.683 1.00 0.00 H new ATOM 126 N LEU A 8 -7.805 -5.581 3.471 1.00 0.00 N ATOM 127 CA LEU A 8 -9.150 -5.509 4.061 1.00 0.00 C ATOM 128 C LEU A 8 -9.818 -6.888 4.188 1.00 0.00 C ATOM 129 O LEU A 8 -10.919 -7.007 4.722 1.00 0.00 O ATOM 130 CB LEU A 8 -10.053 -4.525 3.284 1.00 0.00 C ATOM 131 CG LEU A 8 -10.900 -5.102 2.120 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.808 -4.005 1.561 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.100 -5.700 0.960 1.00 0.00 C ATOM 0 H LEU A 8 -7.750 -5.151 2.548 1.00 0.00 H new ATOM 0 HA LEU A 8 -9.021 -5.128 5.074 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.733 -4.058 3.996 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.421 -3.734 2.881 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.461 -5.927 2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.404 -4.408 0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.470 -3.644 2.348 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.198 -3.180 1.193 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.786 -6.075 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.461 -4.932 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.483 -6.520 1.328 1.00 0.00 H new ATOM 145 N THR A 9 -9.151 -7.938 3.715 1.00 0.00 N ATOM 146 CA THR A 9 -9.621 -9.306 3.739 1.00 0.00 C ATOM 147 C THR A 9 -9.148 -10.002 5.022 1.00 0.00 C ATOM 148 O THR A 9 -9.590 -11.115 5.303 1.00 0.00 O ATOM 149 CB THR A 9 -9.022 -10.016 2.505 1.00 0.00 C ATOM 150 OG1 THR A 9 -7.621 -9.789 2.412 1.00 0.00 O ATOM 151 CG2 THR A 9 -9.631 -9.532 1.188 1.00 0.00 C ATOM 0 H THR A 9 -8.229 -7.846 3.288 1.00 0.00 H new ATOM 0 HA THR A 9 -10.710 -9.340 3.717 1.00 0.00 H new ATOM 0 HB THR A 9 -9.247 -11.073 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.292 -10.124 1.552 1.00 0.00 H new ATOM 0 HG21 THR A 9 -9.171 -10.066 0.357 1.00 0.00 H new ATOM 0 HG22 THR A 9 -10.704 -9.722 1.192 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.452 -8.463 1.076 1.00 0.00 H new ATOM 159 N GLY A 10 -8.212 -9.407 5.769 1.00 0.00 N ATOM 160 CA GLY A 10 -7.688 -9.981 7.002 1.00 0.00 C ATOM 161 C GLY A 10 -6.383 -10.725 6.729 1.00 0.00 C ATOM 162 O GLY A 10 -5.913 -11.479 7.590 1.00 0.00 O ATOM 0 H GLY A 10 -7.797 -8.507 5.529 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -7.518 -9.192 7.735 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -8.420 -10.664 7.433 1.00 0.00 H new ATOM 166 N LYS A 11 -5.844 -10.622 5.507 1.00 0.00 N ATOM 167 CA LYS A 11 -4.600 -11.272 5.132 1.00 0.00 C ATOM 168 C LYS A 11 -3.462 -10.276 5.259 1.00 0.00 C ATOM 169 O LYS A 11 -3.672 -9.063 5.321 1.00 0.00 O ATOM 170 CB LYS A 11 -4.671 -11.779 3.678 1.00 0.00 C ATOM 171 CG LYS A 11 -5.695 -12.905 3.481 1.00 0.00 C ATOM 172 CD LYS A 11 -5.030 -14.196 2.993 1.00 0.00 C ATOM 173 CE LYS A 11 -4.561 -14.172 1.539 1.00 0.00 C ATOM 174 NZ LYS A 11 -5.676 -14.334 0.590 1.00 0.00 N ATOM 0 H LYS A 11 -6.268 -10.081 4.753 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.433 -12.123 5.792 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.925 -10.947 3.022 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.686 -12.135 3.375 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -6.212 -13.095 4.421 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.449 -12.589 2.760 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.173 -14.409 3.632 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -5.734 -15.019 3.118 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -4.051 -13.230 1.339 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.833 -14.968 1.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -5.553 -13.676 -0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -5.689 -15.311 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -6.575 -14.129 1.072 1.00 0.00 H new ATOM 188 N THR A 12 -2.246 -10.794 5.250 1.00 0.00 N ATOM 189 CA THR A 12 -1.036 -10.001 5.319 1.00 0.00 C ATOM 190 C THR A 12 -0.251 -10.425 4.090 1.00 0.00 C ATOM 191 O THR A 12 -0.142 -11.622 3.803 1.00 0.00 O ATOM 192 CB THR A 12 -0.284 -10.184 6.644 1.00 0.00 C ATOM 193 OG1 THR A 12 -1.160 -10.629 7.670 1.00 0.00 O ATOM 194 CG2 THR A 12 0.365 -8.865 7.076 1.00 0.00 C ATOM 0 H THR A 12 -2.071 -11.797 5.193 1.00 0.00 H new ATOM 0 HA THR A 12 -1.230 -8.929 5.312 1.00 0.00 H new ATOM 0 HB THR A 12 0.488 -10.937 6.485 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.657 -10.740 8.504 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.895 -9.011 8.017 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.069 -8.538 6.311 1.00 0.00 H new ATOM 0 HG23 THR A 12 -0.406 -8.106 7.208 1.00 0.00 H new ATOM 202 N ILE A 13 0.261 -9.458 3.348 1.00 0.00 N ATOM 203 CA ILE A 13 1.016 -9.661 2.127 1.00 0.00 C ATOM 204 C ILE A 13 2.439 -9.181 2.388 1.00 0.00 C ATOM 205 O ILE A 13 2.632 -8.289 3.213 1.00 0.00 O ATOM 206 CB ILE A 13 0.348 -8.830 1.001 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.202 -8.870 1.005 1.00 0.00 C ATOM 208 CG2 ILE A 13 0.893 -9.216 -0.384 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.840 -10.251 0.788 1.00 0.00 C ATOM 0 H ILE A 13 0.157 -8.473 3.590 1.00 0.00 H new ATOM 0 HA ILE A 13 1.035 -10.708 1.824 1.00 0.00 H new ATOM 0 HB ILE A 13 0.620 -7.797 1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.554 -8.475 1.958 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.565 -8.198 0.228 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.403 -8.614 -1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.968 -9.037 -0.415 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.696 -10.271 -0.571 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.926 -10.158 0.810 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.530 -10.647 -0.179 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.518 -10.929 1.578 1.00 0.00 H new ATOM 221 N THR A 14 3.405 -9.737 1.668 1.00 0.00 N ATOM 222 CA THR A 14 4.818 -9.416 1.715 1.00 0.00 C ATOM 223 C THR A 14 5.179 -9.074 0.267 1.00 0.00 C ATOM 224 O THR A 14 4.805 -9.822 -0.641 1.00 0.00 O ATOM 225 CB THR A 14 5.622 -10.592 2.286 1.00 0.00 C ATOM 226 OG1 THR A 14 5.172 -10.901 3.591 1.00 0.00 O ATOM 227 CG2 THR A 14 7.113 -10.262 2.383 1.00 0.00 C ATOM 0 H THR A 14 3.204 -10.473 0.991 1.00 0.00 H new ATOM 0 HA THR A 14 5.053 -8.582 2.376 1.00 0.00 H new ATOM 0 HB THR A 14 5.476 -11.434 1.609 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.612 -10.310 4.237 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.649 -11.118 2.792 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.500 -10.031 1.390 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.253 -9.401 3.036 1.00 0.00 H new ATOM 235 N LEU A 15 5.844 -7.938 0.036 1.00 0.00 N ATOM 236 CA LEU A 15 6.238 -7.471 -1.293 1.00 0.00 C ATOM 237 C LEU A 15 7.641 -6.890 -1.273 1.00 0.00 C ATOM 238 O LEU A 15 8.082 -6.385 -0.242 1.00 0.00 O ATOM 239 CB LEU A 15 5.287 -6.369 -1.780 1.00 0.00 C ATOM 240 CG LEU A 15 3.875 -6.843 -2.158 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.053 -5.607 -2.523 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.885 -7.824 -3.335 1.00 0.00 C ATOM 0 H LEU A 15 6.128 -7.306 0.784 1.00 0.00 H new ATOM 0 HA LEU A 15 6.200 -8.333 -1.960 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.202 -5.613 -0.999 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.734 -5.883 -2.647 1.00 0.00 H new ATOM 0 HG LEU A 15 3.443 -7.374 -1.310 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.042 -5.910 -2.797 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.010 -4.933 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.519 -5.096 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.864 -8.129 -3.563 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.323 -7.340 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.476 -8.702 -3.072 1.00 0.00 H new ATOM 254 N GLU A 16 8.330 -6.980 -2.404 1.00 0.00 N ATOM 255 CA GLU A 16 9.676 -6.494 -2.654 1.00 0.00 C ATOM 256 C GLU A 16 9.545 -5.139 -3.341 1.00 0.00 C ATOM 257 O GLU A 16 8.898 -5.031 -4.386 1.00 0.00 O ATOM 258 CB GLU A 16 10.409 -7.519 -3.514 1.00 0.00 C ATOM 259 CG GLU A 16 11.888 -7.181 -3.731 1.00 0.00 C ATOM 260 CD GLU A 16 12.581 -8.429 -4.263 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.536 -8.693 -5.487 1.00 0.00 O ATOM 262 OE2 GLU A 16 13.014 -9.268 -3.445 1.00 0.00 O ATOM 0 H GLU A 16 7.931 -7.428 -3.229 1.00 0.00 H new ATOM 0 HA GLU A 16 10.254 -6.366 -1.739 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.333 -8.499 -3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.914 -7.591 -4.482 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.991 -6.357 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.347 -6.859 -2.796 1.00 0.00 H new ATOM 269 N VAL A 17 10.065 -4.091 -2.704 1.00 0.00 N ATOM 270 CA VAL A 17 10.012 -2.723 -3.206 1.00 0.00 C ATOM 271 C VAL A 17 11.387 -2.055 -3.063 1.00 0.00 C ATOM 272 O VAL A 17 12.370 -2.699 -2.685 1.00 0.00 O ATOM 273 CB VAL A 17 8.883 -1.959 -2.471 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.508 -2.630 -2.625 1.00 0.00 C ATOM 275 CG2 VAL A 17 9.177 -1.796 -0.970 1.00 0.00 C ATOM 0 H VAL A 17 10.544 -4.173 -1.807 1.00 0.00 H new ATOM 0 HA VAL A 17 9.775 -2.712 -4.270 1.00 0.00 H new ATOM 0 HB VAL A 17 8.852 -0.979 -2.948 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.758 -2.049 -2.089 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.243 -2.678 -3.681 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.547 -3.639 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.359 -1.255 -0.496 1.00 0.00 H new ATOM 0 HG22 VAL A 17 9.277 -2.779 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 17 10.105 -1.239 -0.839 1.00 0.00 H new ATOM 285 N GLU A 18 11.471 -0.763 -3.385 1.00 0.00 N ATOM 286 CA GLU A 18 12.687 0.029 -3.281 1.00 0.00 C ATOM 287 C GLU A 18 12.326 1.474 -2.937 1.00 0.00 C ATOM 288 O GLU A 18 11.195 1.888 -3.207 1.00 0.00 O ATOM 289 CB GLU A 18 13.521 -0.085 -4.562 1.00 0.00 C ATOM 290 CG GLU A 18 12.844 0.529 -5.791 1.00 0.00 C ATOM 291 CD GLU A 18 13.740 0.363 -7.004 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.621 -0.682 -7.681 1.00 0.00 O ATOM 293 OE2 GLU A 18 14.653 1.196 -7.201 1.00 0.00 O ATOM 0 H GLU A 18 10.674 -0.230 -3.733 1.00 0.00 H new ATOM 0 HA GLU A 18 13.311 -0.357 -2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.482 0.404 -4.405 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.727 -1.137 -4.759 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.883 0.046 -5.968 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.643 1.586 -5.617 1.00 0.00 H new ATOM 300 N PRO A 19 13.260 2.273 -2.385 1.00 0.00 N ATOM 301 CA PRO A 19 13.011 3.660 -2.017 1.00 0.00 C ATOM 302 C PRO A 19 12.442 4.532 -3.134 1.00 0.00 C ATOM 303 O PRO A 19 11.757 5.504 -2.815 1.00 0.00 O ATOM 304 CB PRO A 19 14.356 4.225 -1.555 1.00 0.00 C ATOM 305 CG PRO A 19 15.102 2.992 -1.065 1.00 0.00 C ATOM 306 CD PRO A 19 14.620 1.905 -2.021 1.00 0.00 C ATOM 0 HA PRO A 19 12.243 3.674 -1.244 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.886 4.719 -2.369 1.00 0.00 H new ATOM 0 HB3 PRO A 19 14.232 4.962 -0.762 1.00 0.00 H new ATOM 0 HG2 PRO A 19 16.183 3.126 -1.116 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.859 2.757 -0.029 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.259 1.848 -2.902 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.646 0.925 -1.544 1.00 0.00 H new ATOM 314 N SER A 20 12.644 4.176 -4.405 1.00 0.00 N ATOM 315 CA SER A 20 12.150 4.980 -5.508 1.00 0.00 C ATOM 316 C SER A 20 11.094 4.281 -6.362 1.00 0.00 C ATOM 317 O SER A 20 10.969 4.608 -7.547 1.00 0.00 O ATOM 318 CB SER A 20 13.356 5.463 -6.316 1.00 0.00 C ATOM 319 OG SER A 20 14.248 6.189 -5.480 1.00 0.00 O ATOM 0 H SER A 20 13.147 3.335 -4.688 1.00 0.00 H new ATOM 0 HA SER A 20 11.611 5.837 -5.105 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.872 4.611 -6.757 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.022 6.095 -7.139 1.00 0.00 H new ATOM 0 HG SER A 20 15.017 6.492 -6.007 1.00 0.00 H new ATOM 325 N ASP A 21 10.285 3.391 -5.770 1.00 0.00 N ATOM 326 CA ASP A 21 9.196 2.745 -6.515 1.00 0.00 C ATOM 327 C ASP A 21 7.954 3.595 -6.223 1.00 0.00 C ATOM 328 O ASP A 21 7.761 4.005 -5.068 1.00 0.00 O ATOM 329 CB ASP A 21 8.970 1.279 -6.129 1.00 0.00 C ATOM 330 CG ASP A 21 8.207 0.523 -7.225 1.00 0.00 C ATOM 331 OD1 ASP A 21 7.966 -0.696 -7.053 1.00 0.00 O ATOM 332 OD2 ASP A 21 7.884 1.108 -8.283 1.00 0.00 O ATOM 0 H ASP A 21 10.362 3.106 -4.794 1.00 0.00 H new ATOM 0 HA ASP A 21 9.438 2.703 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.931 0.795 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.412 1.229 -5.194 1.00 0.00 H new ATOM 337 N THR A 22 7.132 3.925 -7.222 1.00 0.00 N ATOM 338 CA THR A 22 5.951 4.760 -7.009 1.00 0.00 C ATOM 339 C THR A 22 4.844 4.032 -6.247 1.00 0.00 C ATOM 340 O THR A 22 4.754 2.803 -6.240 1.00 0.00 O ATOM 341 CB THR A 22 5.392 5.273 -8.356 1.00 0.00 C ATOM 342 OG1 THR A 22 5.523 4.321 -9.394 1.00 0.00 O ATOM 343 CG2 THR A 22 6.021 6.590 -8.806 1.00 0.00 C ATOM 0 H THR A 22 7.264 3.625 -8.188 1.00 0.00 H new ATOM 0 HA THR A 22 6.278 5.602 -6.399 1.00 0.00 H new ATOM 0 HB THR A 22 4.333 5.447 -8.164 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.155 4.689 -10.224 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.585 6.895 -9.757 1.00 0.00 H new ATOM 0 HG22 THR A 22 5.831 7.359 -8.057 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.096 6.458 -8.925 1.00 0.00 H new ATOM 351 N ILE A 23 3.939 4.802 -5.633 1.00 0.00 N ATOM 352 CA ILE A 23 2.802 4.250 -4.898 1.00 0.00 C ATOM 353 C ILE A 23 1.895 3.495 -5.875 1.00 0.00 C ATOM 354 O ILE A 23 1.229 2.554 -5.457 1.00 0.00 O ATOM 355 CB ILE A 23 2.064 5.366 -4.122 1.00 0.00 C ATOM 356 CG1 ILE A 23 2.907 5.887 -2.937 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.660 4.960 -3.626 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.004 4.936 -1.741 1.00 0.00 C ATOM 0 H ILE A 23 3.976 5.821 -5.633 1.00 0.00 H new ATOM 0 HA ILE A 23 3.145 3.538 -4.148 1.00 0.00 H new ATOM 0 HB ILE A 23 1.924 6.167 -4.848 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.914 6.101 -3.294 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.482 6.832 -2.597 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.207 5.795 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.036 4.694 -4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 23 0.744 4.104 -2.957 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.616 5.392 -0.962 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.006 4.740 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 23 3.460 3.998 -2.058 1.00 0.00 H new ATOM 370 N GLU A 24 1.858 3.891 -7.153 1.00 0.00 N ATOM 371 CA GLU A 24 1.038 3.237 -8.168 1.00 0.00 C ATOM 372 C GLU A 24 1.501 1.781 -8.287 1.00 0.00 C ATOM 373 O GLU A 24 0.707 0.855 -8.147 1.00 0.00 O ATOM 374 CB GLU A 24 1.179 4.029 -9.483 1.00 0.00 C ATOM 375 CG GLU A 24 0.165 3.625 -10.561 1.00 0.00 C ATOM 376 CD GLU A 24 -1.267 3.972 -10.149 1.00 0.00 C ATOM 377 OE1 GLU A 24 -1.960 3.098 -9.586 1.00 0.00 O ATOM 378 OE2 GLU A 24 -1.728 5.118 -10.367 1.00 0.00 O ATOM 0 H GLU A 24 2.400 4.678 -7.509 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.020 3.224 -7.907 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.065 5.092 -9.270 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.187 3.889 -9.874 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.407 4.130 -11.496 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.240 2.554 -10.748 1.00 0.00 H new ATOM 385 N ASN A 25 2.814 1.577 -8.432 1.00 0.00 N ATOM 386 CA ASN A 25 3.430 0.260 -8.544 1.00 0.00 C ATOM 387 C ASN A 25 3.152 -0.545 -7.279 1.00 0.00 C ATOM 388 O ASN A 25 2.676 -1.679 -7.341 1.00 0.00 O ATOM 389 CB ASN A 25 4.951 0.390 -8.767 1.00 0.00 C ATOM 390 CG ASN A 25 5.390 0.039 -10.179 1.00 0.00 C ATOM 391 OD1 ASN A 25 4.774 -0.792 -10.842 1.00 0.00 O ATOM 392 ND2 ASN A 25 6.503 0.578 -10.635 1.00 0.00 N ATOM 0 H ASN A 25 3.488 2.341 -8.475 1.00 0.00 H new ATOM 0 HA ASN A 25 3.001 -0.258 -9.402 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.257 1.412 -8.544 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.470 -0.259 -8.062 1.00 0.00 H new ATOM 0 HD21 ASN A 25 6.864 0.306 -11.550 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.004 1.267 -10.073 1.00 0.00 H new ATOM 399 N VAL A 26 3.460 0.029 -6.116 1.00 0.00 N ATOM 400 CA VAL A 26 3.266 -0.602 -4.813 1.00 0.00 C ATOM 401 C VAL A 26 1.802 -1.022 -4.605 1.00 0.00 C ATOM 402 O VAL A 26 1.539 -2.085 -4.032 1.00 0.00 O ATOM 403 CB VAL A 26 3.810 0.352 -3.729 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.522 -0.136 -2.306 1.00 0.00 C ATOM 405 CG2 VAL A 26 5.331 0.527 -3.857 1.00 0.00 C ATOM 0 H VAL A 26 3.860 0.965 -6.053 1.00 0.00 H new ATOM 0 HA VAL A 26 3.827 -1.535 -4.748 1.00 0.00 H new ATOM 0 HB VAL A 26 3.294 1.298 -3.894 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.929 0.576 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.445 -0.222 -2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.987 -1.110 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.686 1.204 -3.080 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.819 -0.441 -3.745 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.568 0.942 -4.837 1.00 0.00 H new ATOM 415 N LYS A 27 0.836 -0.215 -5.055 1.00 0.00 N ATOM 416 CA LYS A 27 -0.589 -0.509 -4.922 1.00 0.00 C ATOM 417 C LYS A 27 -1.064 -1.489 -6.004 1.00 0.00 C ATOM 418 O LYS A 27 -2.159 -2.030 -5.862 1.00 0.00 O ATOM 419 CB LYS A 27 -1.367 0.813 -4.901 1.00 0.00 C ATOM 420 CG LYS A 27 -2.816 0.661 -4.407 1.00 0.00 C ATOM 421 CD LYS A 27 -3.460 2.002 -4.027 1.00 0.00 C ATOM 422 CE LYS A 27 -3.343 2.988 -5.189 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.123 4.221 -4.977 1.00 0.00 N ATOM 0 H LYS A 27 1.026 0.669 -5.526 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.780 -1.021 -3.979 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.845 1.523 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.376 1.237 -5.905 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.412 0.185 -5.185 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.832 -0.002 -3.542 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.509 1.851 -3.772 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.972 2.411 -3.142 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.294 3.248 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.681 2.504 -6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.006 4.851 -5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.129 3.981 -4.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.785 4.702 -4.119 1.00 0.00 H new ATOM 437 N ALA A 28 -0.265 -1.750 -7.042 1.00 0.00 N ATOM 438 CA ALA A 28 -0.568 -2.680 -8.123 1.00 0.00 C ATOM 439 C ALA A 28 -0.062 -4.071 -7.746 1.00 0.00 C ATOM 440 O ALA A 28 -0.797 -5.042 -7.891 1.00 0.00 O ATOM 441 CB ALA A 28 0.067 -2.198 -9.429 1.00 0.00 C ATOM 0 H ALA A 28 0.644 -1.300 -7.153 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.646 -2.728 -8.275 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.167 -2.901 -10.228 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.327 -1.214 -9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.148 -2.135 -9.306 1.00 0.00 H new ATOM 447 N LYS A 29 1.147 -4.188 -7.178 1.00 0.00 N ATOM 448 CA LYS A 29 1.719 -5.477 -6.770 1.00 0.00 C ATOM 449 C LYS A 29 0.751 -6.273 -5.883 1.00 0.00 C ATOM 450 O LYS A 29 0.682 -7.500 -5.995 1.00 0.00 O ATOM 451 CB LYS A 29 3.083 -5.293 -6.093 1.00 0.00 C ATOM 452 CG LYS A 29 4.237 -4.951 -7.051 1.00 0.00 C ATOM 453 CD LYS A 29 5.581 -5.138 -6.325 1.00 0.00 C ATOM 454 CE LYS A 29 6.805 -4.666 -7.123 1.00 0.00 C ATOM 455 NZ LYS A 29 7.011 -5.406 -8.383 1.00 0.00 N ATOM 0 H LYS A 29 1.755 -3.391 -6.989 1.00 0.00 H new ATOM 0 HA LYS A 29 1.879 -6.063 -7.675 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.000 -4.501 -5.349 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.333 -6.208 -5.557 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.195 -5.592 -7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.141 -3.923 -7.401 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.548 -4.596 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.705 -6.193 -6.083 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.694 -3.605 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.695 -4.769 -6.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.853 -5.036 -8.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.148 -6.416 -8.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.178 -5.289 -8.995 1.00 0.00 H new ATOM 469 N ILE A 30 0.038 -5.611 -4.968 1.00 0.00 N ATOM 470 CA ILE A 30 -0.933 -6.259 -4.087 1.00 0.00 C ATOM 471 C ILE A 30 -2.123 -6.839 -4.879 1.00 0.00 C ATOM 472 O ILE A 30 -2.737 -7.798 -4.417 1.00 0.00 O ATOM 473 CB ILE A 30 -1.420 -5.316 -2.964 1.00 0.00 C ATOM 474 CG1 ILE A 30 -1.960 -3.987 -3.527 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.306 -5.065 -1.935 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.675 -3.112 -2.499 1.00 0.00 C ATOM 0 H ILE A 30 0.120 -4.605 -4.818 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.414 -7.090 -3.610 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.247 -5.814 -2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.130 -3.423 -3.953 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.649 -4.205 -4.343 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.674 -4.398 -1.155 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -0.002 -6.012 -1.489 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.550 -4.606 -2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.023 -2.197 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.528 -3.654 -2.090 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.985 -2.859 -1.694 1.00 0.00 H new ATOM 488 N GLN A 31 -2.448 -6.322 -6.066 1.00 0.00 N ATOM 489 CA GLN A 31 -3.569 -6.802 -6.878 1.00 0.00 C ATOM 490 C GLN A 31 -3.169 -8.123 -7.546 1.00 0.00 C ATOM 491 O GLN A 31 -4.023 -8.910 -7.949 1.00 0.00 O ATOM 492 CB GLN A 31 -3.991 -5.746 -7.920 1.00 0.00 C ATOM 493 CG GLN A 31 -4.088 -4.349 -7.287 1.00 0.00 C ATOM 494 CD GLN A 31 -4.662 -3.265 -8.194 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.312 -3.150 -9.369 1.00 0.00 O ATOM 496 NE2 GLN A 31 -5.475 -2.381 -7.649 1.00 0.00 N ATOM 0 H GLN A 31 -1.936 -5.551 -6.495 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.434 -6.975 -6.238 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.270 -5.729 -8.737 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.954 -6.021 -8.351 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.705 -4.415 -6.391 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.092 -4.043 -6.966 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -5.760 -2.483 -6.675 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.818 -1.595 -8.201 1.00 0.00 H new ATOM 505 N ASP A 32 -1.869 -8.400 -7.667 1.00 0.00 N ATOM 506 CA ASP A 32 -1.371 -9.655 -8.234 1.00 0.00 C ATOM 507 C ASP A 32 -1.487 -10.749 -7.158 1.00 0.00 C ATOM 508 O ASP A 32 -1.928 -11.861 -7.457 1.00 0.00 O ATOM 509 CB ASP A 32 0.077 -9.498 -8.722 1.00 0.00 C ATOM 510 CG ASP A 32 0.854 -10.816 -8.703 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.865 -11.534 -9.722 1.00 0.00 O ATOM 512 OD2 ASP A 32 1.511 -11.104 -7.674 1.00 0.00 O ATOM 0 H ASP A 32 -1.131 -7.760 -7.374 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.967 -9.936 -9.103 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.073 -9.098 -9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.590 -8.770 -8.094 1.00 0.00 H new ATOM 517 N LYS A 33 -1.203 -10.422 -5.887 1.00 0.00 N ATOM 518 CA LYS A 33 -1.255 -11.390 -4.787 1.00 0.00 C ATOM 519 C LYS A 33 -2.636 -11.543 -4.142 1.00 0.00 C ATOM 520 O LYS A 33 -2.859 -12.568 -3.502 1.00 0.00 O ATOM 521 CB LYS A 33 -0.183 -11.053 -3.729 1.00 0.00 C ATOM 522 CG LYS A 33 1.175 -11.693 -4.063 1.00 0.00 C ATOM 523 CD LYS A 33 2.234 -11.344 -3.009 1.00 0.00 C ATOM 524 CE LYS A 33 3.586 -12.025 -3.259 1.00 0.00 C ATOM 525 NZ LYS A 33 3.538 -13.489 -3.053 1.00 0.00 N ATOM 0 H LYS A 33 -0.932 -9.482 -5.597 1.00 0.00 H new ATOM 0 HA LYS A 33 -1.041 -12.362 -5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -0.067 -9.971 -3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.517 -11.400 -2.751 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.063 -12.776 -4.124 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.509 -11.351 -5.043 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.377 -10.264 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.866 -11.633 -2.025 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.909 -11.817 -4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.333 -11.593 -2.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.485 -13.892 -3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.224 -13.693 -2.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.871 -13.913 -3.729 1.00 0.00 H new ATOM 539 N GLU A 34 -3.558 -10.585 -4.245 1.00 0.00 N ATOM 540 CA GLU A 34 -4.907 -10.674 -3.671 1.00 0.00 C ATOM 541 C GLU A 34 -5.854 -10.062 -4.699 1.00 0.00 C ATOM 542 O GLU A 34 -5.471 -9.118 -5.394 1.00 0.00 O ATOM 543 CB GLU A 34 -4.954 -9.884 -2.337 1.00 0.00 C ATOM 544 CG GLU A 34 -6.254 -9.980 -1.505 1.00 0.00 C ATOM 545 CD GLU A 34 -6.376 -11.281 -0.701 1.00 0.00 C ATOM 546 OE1 GLU A 34 -6.878 -11.272 0.450 1.00 0.00 O ATOM 547 OE2 GLU A 34 -5.910 -12.331 -1.185 1.00 0.00 O ATOM 0 H GLU A 34 -3.388 -9.708 -4.738 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.191 -11.704 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.128 -10.225 -1.713 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.772 -8.833 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -6.300 -9.134 -0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.110 -9.895 -2.174 1.00 0.00 H new ATOM 554 N GLY A 35 -7.104 -10.517 -4.755 1.00 0.00 N ATOM 555 CA GLY A 35 -8.088 -10.002 -5.689 1.00 0.00 C ATOM 556 C GLY A 35 -8.697 -8.720 -5.151 1.00 0.00 C ATOM 557 O GLY A 35 -9.775 -8.763 -4.554 1.00 0.00 O ATOM 0 H GLY A 35 -7.459 -11.257 -4.149 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.620 -9.814 -6.655 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.869 -10.744 -5.852 1.00 0.00 H new ATOM 561 N ILE A 36 -8.021 -7.593 -5.355 1.00 0.00 N ATOM 562 CA ILE A 36 -8.442 -6.264 -4.930 1.00 0.00 C ATOM 563 C ILE A 36 -8.202 -5.317 -6.121 1.00 0.00 C ATOM 564 O ILE A 36 -7.048 -5.089 -6.475 1.00 0.00 O ATOM 565 CB ILE A 36 -7.759 -5.844 -3.606 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.225 -6.056 -3.588 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.443 -6.607 -2.450 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.552 -5.708 -2.259 1.00 0.00 C ATOM 0 H ILE A 36 -7.125 -7.582 -5.843 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.502 -6.233 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.886 -4.767 -3.492 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.012 -7.098 -3.827 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.778 -5.451 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.978 -6.328 -1.504 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.503 -6.353 -2.423 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.331 -7.680 -2.606 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.479 -5.886 -2.337 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.729 -4.658 -2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.967 -6.331 -1.467 1.00 0.00 H new ATOM 580 N PRO A 37 -9.255 -4.831 -6.797 1.00 0.00 N ATOM 581 CA PRO A 37 -9.159 -3.943 -7.949 1.00 0.00 C ATOM 582 C PRO A 37 -8.980 -2.473 -7.534 1.00 0.00 C ATOM 583 O PRO A 37 -9.138 -2.153 -6.352 1.00 0.00 O ATOM 584 CB PRO A 37 -10.502 -4.134 -8.655 1.00 0.00 C ATOM 585 CG PRO A 37 -11.475 -4.259 -7.487 1.00 0.00 C ATOM 586 CD PRO A 37 -10.655 -5.047 -6.466 1.00 0.00 C ATOM 0 HA PRO A 37 -8.296 -4.174 -8.573 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.746 -3.288 -9.298 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -10.507 -5.024 -9.284 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -11.776 -3.285 -7.102 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.386 -4.785 -7.771 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -10.870 -4.708 -5.453 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.903 -6.108 -6.506 1.00 0.00 H new ATOM 594 N PRO A 38 -8.677 -1.550 -8.472 1.00 0.00 N ATOM 595 CA PRO A 38 -8.519 -0.128 -8.170 1.00 0.00 C ATOM 596 C PRO A 38 -9.896 0.549 -7.932 1.00 0.00 C ATOM 597 O PRO A 38 -10.210 1.585 -8.519 1.00 0.00 O ATOM 598 CB PRO A 38 -7.787 0.457 -9.405 1.00 0.00 C ATOM 599 CG PRO A 38 -7.405 -0.742 -10.271 1.00 0.00 C ATOM 600 CD PRO A 38 -8.441 -1.786 -9.885 1.00 0.00 C ATOM 0 HA PRO A 38 -7.955 0.044 -7.253 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.432 1.144 -9.952 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.903 1.020 -9.105 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.449 -0.503 -11.334 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.391 -1.083 -10.063 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.356 -1.672 -10.466 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.074 -2.796 -10.064 1.00 0.00 H new ATOM 608 N ASP A 39 -10.700 0.035 -7.002 1.00 0.00 N ATOM 609 CA ASP A 39 -12.021 0.516 -6.605 1.00 0.00 C ATOM 610 C ASP A 39 -12.140 0.133 -5.139 1.00 0.00 C ATOM 611 O ASP A 39 -11.985 -1.042 -4.796 1.00 0.00 O ATOM 612 CB ASP A 39 -13.162 -0.075 -7.440 1.00 0.00 C ATOM 613 CG ASP A 39 -14.545 0.387 -6.949 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.700 1.516 -6.416 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.516 -0.384 -7.119 1.00 0.00 O ATOM 0 H ASP A 39 -10.424 -0.789 -6.468 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.111 1.590 -6.769 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.034 0.215 -8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.111 -1.163 -7.403 1.00 0.00 H new ATOM 620 N GLN A 40 -12.464 1.105 -4.288 1.00 0.00 N ATOM 621 CA GLN A 40 -12.564 0.953 -2.842 1.00 0.00 C ATOM 622 C GLN A 40 -11.239 0.378 -2.324 1.00 0.00 C ATOM 623 O GLN A 40 -11.197 -0.613 -1.597 1.00 0.00 O ATOM 624 CB GLN A 40 -13.792 0.128 -2.413 1.00 0.00 C ATOM 625 CG GLN A 40 -15.135 0.602 -2.979 1.00 0.00 C ATOM 626 CD GLN A 40 -15.337 2.118 -2.924 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.198 2.760 -1.884 1.00 0.00 O ATOM 628 NE2 GLN A 40 -15.649 2.732 -4.051 1.00 0.00 N ATOM 0 H GLN A 40 -12.671 2.054 -4.600 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.727 1.930 -2.386 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.636 -0.908 -2.714 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.852 0.138 -1.325 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.217 0.273 -4.015 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.941 0.119 -2.426 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.763 2.194 -4.910 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.776 3.744 -4.062 1.00 0.00 H new ATOM 637 N ASN A 41 -10.136 1.018 -2.727 1.00 0.00 N ATOM 638 CA ASN A 41 -8.789 0.645 -2.341 1.00 0.00 C ATOM 639 C ASN A 41 -7.977 1.929 -2.159 1.00 0.00 C ATOM 640 O ASN A 41 -7.968 2.774 -3.057 1.00 0.00 O ATOM 641 CB ASN A 41 -8.187 -0.222 -3.453 1.00 0.00 C ATOM 642 CG ASN A 41 -6.915 -0.898 -2.981 1.00 0.00 C ATOM 643 OD1 ASN A 41 -5.815 -0.371 -3.120 1.00 0.00 O ATOM 644 ND2 ASN A 41 -7.033 -2.090 -2.423 1.00 0.00 N ATOM 0 H ASN A 41 -10.166 1.828 -3.346 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.783 0.078 -1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.910 -0.976 -3.764 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.974 0.395 -4.326 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -6.203 -2.586 -2.100 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -7.955 -2.514 -2.315 1.00 0.00 H new ATOM 651 N ARG A 42 -7.232 2.068 -1.061 1.00 0.00 N ATOM 652 CA ARG A 42 -6.415 3.234 -0.736 1.00 0.00 C ATOM 653 C ARG A 42 -5.362 2.784 0.274 1.00 0.00 C ATOM 654 O ARG A 42 -5.699 2.153 1.278 1.00 0.00 O ATOM 655 CB ARG A 42 -7.344 4.318 -0.157 1.00 0.00 C ATOM 656 CG ARG A 42 -6.567 5.529 0.352 1.00 0.00 C ATOM 657 CD ARG A 42 -7.455 6.691 0.811 1.00 0.00 C ATOM 658 NE ARG A 42 -7.988 7.490 -0.303 1.00 0.00 N ATOM 659 CZ ARG A 42 -7.366 8.515 -0.903 1.00 0.00 C ATOM 660 NH1 ARG A 42 -6.120 8.837 -0.556 1.00 0.00 N ATOM 661 NH2 ARG A 42 -7.993 9.215 -1.841 1.00 0.00 N ATOM 0 H ARG A 42 -7.181 1.342 -0.347 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.909 3.650 -1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.050 4.637 -0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.930 3.895 0.659 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -5.934 5.219 1.183 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -5.905 5.882 -0.439 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.286 6.296 1.396 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.880 7.340 1.472 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.914 7.242 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.638 8.303 0.167 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -5.649 9.617 -1.014 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.948 8.973 -2.105 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -7.520 9.995 -2.297 1.00 0.00 H new ATOM 675 N LEU A 43 -4.104 3.167 0.051 1.00 0.00 N ATOM 676 CA LEU A 43 -2.971 2.796 0.901 1.00 0.00 C ATOM 677 C LEU A 43 -2.691 3.847 1.985 1.00 0.00 C ATOM 678 O LEU A 43 -2.765 5.051 1.721 1.00 0.00 O ATOM 679 CB LEU A 43 -1.764 2.581 -0.028 1.00 0.00 C ATOM 680 CG LEU A 43 -0.550 1.891 0.614 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.830 0.441 1.020 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.602 1.908 -0.400 1.00 0.00 C ATOM 0 H LEU A 43 -3.839 3.754 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.193 1.881 1.450 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.087 1.988 -0.883 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.447 3.550 -0.414 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.301 2.436 1.525 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.065 0.009 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.645 0.417 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.110 -0.136 0.139 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.476 1.423 0.034 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.301 1.374 -1.302 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.848 2.939 -0.654 1.00 0.00 H new ATOM 694 N ILE A 44 -2.349 3.396 3.197 1.00 0.00 N ATOM 695 CA ILE A 44 -2.037 4.196 4.385 1.00 0.00 C ATOM 696 C ILE A 44 -0.778 3.601 5.050 1.00 0.00 C ATOM 697 O ILE A 44 -0.603 2.381 5.057 1.00 0.00 O ATOM 698 CB ILE A 44 -3.235 4.156 5.379 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.655 4.282 4.770 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.079 5.203 6.497 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.039 5.662 4.222 1.00 0.00 C ATOM 0 H ILE A 44 -2.278 2.396 3.386 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.857 5.234 4.104 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.177 3.141 5.772 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.747 3.556 3.963 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.381 4.003 5.534 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.934 5.145 7.171 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.163 5.006 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.030 6.199 6.058 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.053 5.626 3.823 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.991 6.398 5.024 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.347 5.944 3.429 1.00 0.00 H new ATOM 713 N PHE A 45 0.072 4.429 5.660 1.00 0.00 N ATOM 714 CA PHE A 45 1.297 4.040 6.361 1.00 0.00 C ATOM 715 C PHE A 45 1.352 4.864 7.642 1.00 0.00 C ATOM 716 O PHE A 45 1.333 6.089 7.564 1.00 0.00 O ATOM 717 CB PHE A 45 2.532 4.313 5.492 1.00 0.00 C ATOM 718 CG PHE A 45 3.864 4.283 6.222 1.00 0.00 C ATOM 719 CD1 PHE A 45 4.315 3.107 6.854 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.666 5.443 6.258 1.00 0.00 C ATOM 721 CE1 PHE A 45 5.556 3.097 7.516 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.913 5.425 6.907 1.00 0.00 C ATOM 723 CZ PHE A 45 6.355 4.252 7.541 1.00 0.00 C ATOM 0 H PHE A 45 -0.082 5.437 5.680 1.00 0.00 H new ATOM 0 HA PHE A 45 1.293 2.973 6.583 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.560 3.576 4.690 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.416 5.290 5.023 1.00 0.00 H new ATOM 0 HD1 PHE A 45 3.708 2.214 6.830 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.320 6.350 5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 45 5.896 2.197 8.007 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.530 6.311 6.918 1.00 0.00 H new ATOM 0 HZ PHE A 45 7.309 4.238 8.047 1.00 0.00 H new ATOM 733 N ALA A 46 1.381 4.210 8.811 1.00 0.00 N ATOM 734 CA ALA A 46 1.427 4.864 10.123 1.00 0.00 C ATOM 735 C ALA A 46 0.367 5.981 10.237 1.00 0.00 C ATOM 736 O ALA A 46 0.656 7.100 10.673 1.00 0.00 O ATOM 737 CB ALA A 46 2.862 5.334 10.408 1.00 0.00 C ATOM 0 H ALA A 46 1.373 3.192 8.871 1.00 0.00 H new ATOM 0 HA ALA A 46 1.162 4.149 10.902 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.899 5.820 11.383 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.533 4.475 10.406 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.173 6.040 9.638 1.00 0.00 H new ATOM 743 N GLY A 47 -0.839 5.714 9.720 1.00 0.00 N ATOM 744 CA GLY A 47 -1.970 6.635 9.735 1.00 0.00 C ATOM 745 C GLY A 47 -1.921 7.698 8.633 1.00 0.00 C ATOM 746 O GLY A 47 -2.940 8.326 8.348 1.00 0.00 O ATOM 0 H GLY A 47 -1.055 4.825 9.268 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.893 6.063 9.634 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.008 7.132 10.704 1.00 0.00 H new ATOM 750 N LYS A 48 -0.757 7.923 8.021 1.00 0.00 N ATOM 751 CA LYS A 48 -0.533 8.905 6.972 1.00 0.00 C ATOM 752 C LYS A 48 -1.032 8.339 5.648 1.00 0.00 C ATOM 753 O LYS A 48 -0.734 7.198 5.289 1.00 0.00 O ATOM 754 CB LYS A 48 0.960 9.286 6.969 1.00 0.00 C ATOM 755 CG LYS A 48 1.177 10.797 6.762 1.00 0.00 C ATOM 756 CD LYS A 48 2.432 11.313 7.488 1.00 0.00 C ATOM 757 CE LYS A 48 2.216 11.399 9.009 1.00 0.00 C ATOM 758 NZ LYS A 48 3.403 11.935 9.708 1.00 0.00 N ATOM 0 H LYS A 48 0.087 7.401 8.257 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.093 9.824 7.144 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.412 8.982 7.913 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.472 8.736 6.179 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.265 11.006 5.696 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.303 11.340 7.122 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.272 10.651 7.277 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.697 12.297 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.355 12.034 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.983 10.408 9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.215 11.976 10.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.219 11.315 9.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.611 12.891 9.356 1.00 0.00 H new ATOM 772 N GLN A 49 -1.861 9.114 4.963 1.00 0.00 N ATOM 773 CA GLN A 49 -2.469 8.763 3.689 1.00 0.00 C ATOM 774 C GLN A 49 -1.434 8.902 2.576 1.00 0.00 C ATOM 775 O GLN A 49 -0.691 9.880 2.562 1.00 0.00 O ATOM 776 CB GLN A 49 -3.696 9.654 3.429 1.00 0.00 C ATOM 777 CG GLN A 49 -4.648 9.747 4.636 1.00 0.00 C ATOM 778 CD GLN A 49 -4.238 10.866 5.594 1.00 0.00 C ATOM 779 OE1 GLN A 49 -4.167 12.031 5.217 1.00 0.00 O ATOM 780 NE2 GLN A 49 -3.866 10.545 6.821 1.00 0.00 N ATOM 0 H GLN A 49 -2.138 10.039 5.292 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.808 7.727 3.714 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.359 10.656 3.163 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.245 9.264 2.572 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -5.665 9.923 4.285 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.655 8.796 5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -3.925 9.576 7.135 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -3.520 11.266 7.454 1.00 0.00 H new ATOM 789 N LEU A 50 -1.385 7.931 1.661 1.00 0.00 N ATOM 790 CA LEU A 50 -0.460 7.898 0.532 1.00 0.00 C ATOM 791 C LEU A 50 -1.247 7.849 -0.775 1.00 0.00 C ATOM 792 O LEU A 50 -2.374 7.338 -0.802 1.00 0.00 O ATOM 793 CB LEU A 50 0.438 6.649 0.597 1.00 0.00 C ATOM 794 CG LEU A 50 0.939 6.211 1.985 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.749 4.927 1.811 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.814 7.258 2.671 1.00 0.00 C ATOM 0 H LEU A 50 -2.007 7.123 1.689 1.00 0.00 H new ATOM 0 HA LEU A 50 0.158 8.795 0.576 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.111 5.816 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.308 6.826 -0.035 1.00 0.00 H new ATOM 0 HG LEU A 50 0.066 6.065 2.621 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.117 4.594 2.782 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.115 4.153 1.378 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.594 5.117 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.133 6.885 3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.690 7.460 2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.244 8.178 2.804 1.00 0.00 H new ATOM 808 N GLU A 51 -0.664 8.326 -1.869 1.00 0.00 N ATOM 809 CA GLU A 51 -1.292 8.322 -3.180 1.00 0.00 C ATOM 810 C GLU A 51 -0.214 8.253 -4.261 1.00 0.00 C ATOM 811 O GLU A 51 0.980 8.323 -3.975 1.00 0.00 O ATOM 812 CB GLU A 51 -2.222 9.534 -3.348 1.00 0.00 C ATOM 813 CG GLU A 51 -1.492 10.878 -3.387 1.00 0.00 C ATOM 814 CD GLU A 51 -2.456 12.053 -3.472 1.00 0.00 C ATOM 815 OE1 GLU A 51 -2.890 12.531 -2.394 1.00 0.00 O ATOM 816 OE2 GLU A 51 -2.727 12.523 -4.604 1.00 0.00 O ATOM 0 H GLU A 51 0.272 8.732 -1.867 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.922 7.438 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.793 9.416 -4.269 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.939 9.545 -2.527 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -0.875 10.980 -2.495 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -0.819 10.899 -4.244 1.00 0.00 H new ATOM 823 N ASP A 52 -0.651 8.159 -5.510 1.00 0.00 N ATOM 824 CA ASP A 52 0.181 8.054 -6.692 1.00 0.00 C ATOM 825 C ASP A 52 0.868 9.379 -7.003 1.00 0.00 C ATOM 826 O ASP A 52 0.485 10.454 -6.526 1.00 0.00 O ATOM 827 CB ASP A 52 -0.650 7.544 -7.882 1.00 0.00 C ATOM 828 CG ASP A 52 -1.783 8.484 -8.304 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.962 8.174 -8.007 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.520 9.504 -8.981 1.00 0.00 O ATOM 0 H ASP A 52 -1.646 8.154 -5.733 1.00 0.00 H new ATOM 0 HA ASP A 52 0.971 7.328 -6.499 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.013 7.387 -8.733 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -1.075 6.574 -7.625 1.00 0.00 H new ATOM 835 N GLY A 53 1.936 9.261 -7.785 1.00 0.00 N ATOM 836 CA GLY A 53 2.801 10.337 -8.229 1.00 0.00 C ATOM 837 C GLY A 53 4.099 10.360 -7.422 1.00 0.00 C ATOM 838 O GLY A 53 5.116 10.781 -7.973 1.00 0.00 O ATOM 0 H GLY A 53 2.235 8.355 -8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.028 10.213 -9.288 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.285 11.291 -8.123 1.00 0.00 H new ATOM 842 N ARG A 54 4.093 9.916 -6.155 1.00 0.00 N ATOM 843 CA ARG A 54 5.299 9.890 -5.307 1.00 0.00 C ATOM 844 C ARG A 54 5.829 8.473 -5.072 1.00 0.00 C ATOM 845 O ARG A 54 5.159 7.505 -5.447 1.00 0.00 O ATOM 846 CB ARG A 54 5.072 10.718 -4.038 1.00 0.00 C ATOM 847 CG ARG A 54 5.094 12.213 -4.386 1.00 0.00 C ATOM 848 CD ARG A 54 5.014 13.091 -3.136 1.00 0.00 C ATOM 849 NE ARG A 54 4.320 14.346 -3.442 1.00 0.00 N ATOM 850 CZ ARG A 54 4.159 15.392 -2.632 1.00 0.00 C ATOM 851 NH1 ARG A 54 4.683 15.380 -1.414 1.00 0.00 N ATOM 852 NH2 ARG A 54 3.484 16.451 -3.058 1.00 0.00 N ATOM 0 H ARG A 54 3.256 9.566 -5.689 1.00 0.00 H new ATOM 0 HA ARG A 54 6.116 10.374 -5.843 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.116 10.454 -3.586 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.845 10.494 -3.303 1.00 0.00 H new ATOM 0 HG2 ARG A 54 6.007 12.445 -4.934 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.258 12.444 -5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.488 12.560 -2.343 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.017 13.303 -2.767 1.00 0.00 H new ATOM 0 HE ARG A 54 3.917 14.427 -4.375 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.211 14.568 -1.094 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.558 16.182 -0.797 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.092 16.461 -4.000 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.357 17.255 -2.444 1.00 0.00 H new ATOM 866 N THR A 55 6.984 8.361 -4.409 1.00 0.00 N ATOM 867 CA THR A 55 7.687 7.114 -4.113 1.00 0.00 C ATOM 868 C THR A 55 7.833 6.812 -2.612 1.00 0.00 C ATOM 869 O THR A 55 7.460 7.618 -1.755 1.00 0.00 O ATOM 870 CB THR A 55 9.073 7.167 -4.790 1.00 0.00 C ATOM 871 OG1 THR A 55 9.911 8.171 -4.232 1.00 0.00 O ATOM 872 CG2 THR A 55 9.014 7.382 -6.305 1.00 0.00 C ATOM 0 H THR A 55 7.476 9.178 -4.048 1.00 0.00 H new ATOM 0 HA THR A 55 7.082 6.298 -4.508 1.00 0.00 H new ATOM 0 HB THR A 55 9.495 6.180 -4.598 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.476 9.045 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.026 7.408 -6.709 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.460 6.565 -6.767 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.514 8.326 -6.519 1.00 0.00 H new ATOM 880 N LEU A 56 8.391 5.636 -2.288 1.00 0.00 N ATOM 881 CA LEU A 56 8.628 5.168 -0.921 1.00 0.00 C ATOM 882 C LEU A 56 9.392 6.196 -0.080 1.00 0.00 C ATOM 883 O LEU A 56 9.005 6.472 1.057 1.00 0.00 O ATOM 884 CB LEU A 56 9.409 3.833 -0.909 1.00 0.00 C ATOM 885 CG LEU A 56 8.567 2.600 -0.521 1.00 0.00 C ATOM 886 CD1 LEU A 56 8.129 1.804 -1.750 1.00 0.00 C ATOM 887 CD2 LEU A 56 9.365 1.661 0.385 1.00 0.00 C ATOM 0 H LEU A 56 8.698 4.967 -2.994 1.00 0.00 H new ATOM 0 HA LEU A 56 7.643 5.019 -0.480 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.836 3.668 -1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.243 3.921 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 56 7.688 2.978 0.001 1.00 0.00 H new ATOM 0 HD11 LEU A 56 7.538 0.944 -1.435 1.00 0.00 H new ATOM 0 HD12 LEU A 56 7.527 2.439 -2.399 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.009 1.460 -2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 56 8.751 0.799 0.646 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.260 1.325 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.653 2.190 1.294 1.00 0.00 H new ATOM 899 N SER A 57 10.502 6.725 -0.604 1.00 0.00 N ATOM 900 CA SER A 57 11.323 7.695 0.107 1.00 0.00 C ATOM 901 C SER A 57 10.579 9.006 0.339 1.00 0.00 C ATOM 902 O SER A 57 10.796 9.626 1.381 1.00 0.00 O ATOM 903 CB SER A 57 12.666 7.931 -0.609 1.00 0.00 C ATOM 904 OG SER A 57 13.721 7.889 0.337 1.00 0.00 O ATOM 0 H SER A 57 10.852 6.489 -1.533 1.00 0.00 H new ATOM 0 HA SER A 57 11.543 7.271 1.087 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.820 7.171 -1.375 1.00 0.00 H new ATOM 0 HB3 SER A 57 12.656 8.896 -1.115 1.00 0.00 H new ATOM 0 HG SER A 57 14.576 8.037 -0.119 1.00 0.00 H new ATOM 910 N ASP A 58 9.697 9.441 -0.572 1.00 0.00 N ATOM 911 CA ASP A 58 8.947 10.690 -0.401 1.00 0.00 C ATOM 912 C ASP A 58 8.125 10.593 0.874 1.00 0.00 C ATOM 913 O ASP A 58 8.180 11.469 1.732 1.00 0.00 O ATOM 914 CB ASP A 58 7.992 10.961 -1.570 1.00 0.00 C ATOM 915 CG ASP A 58 8.714 11.344 -2.850 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.761 10.493 -3.766 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.199 12.500 -2.916 1.00 0.00 O ATOM 0 H ASP A 58 9.486 8.943 -1.437 1.00 0.00 H new ATOM 0 HA ASP A 58 9.668 11.506 -0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.388 10.072 -1.752 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.306 11.761 -1.293 1.00 0.00 H new ATOM 922 N TYR A 59 7.430 9.468 1.037 1.00 0.00 N ATOM 923 CA TYR A 59 6.593 9.186 2.190 1.00 0.00 C ATOM 924 C TYR A 59 7.396 8.662 3.391 1.00 0.00 C ATOM 925 O TYR A 59 6.803 8.372 4.436 1.00 0.00 O ATOM 926 CB TYR A 59 5.482 8.232 1.750 1.00 0.00 C ATOM 927 CG TYR A 59 4.446 8.899 0.859 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.550 9.833 1.418 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.341 8.566 -0.507 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.535 10.403 0.633 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.335 9.147 -1.302 1.00 0.00 C ATOM 932 CZ TYR A 59 2.425 10.065 -0.733 1.00 0.00 C ATOM 933 OH TYR A 59 1.414 10.599 -1.470 1.00 0.00 O ATOM 0 H TYR A 59 7.437 8.713 0.351 1.00 0.00 H new ATOM 0 HA TYR A 59 6.146 10.112 2.551 1.00 0.00 H new ATOM 0 HB2 TYR A 59 5.923 7.390 1.217 1.00 0.00 H new ATOM 0 HB3 TYR A 59 4.987 7.827 2.633 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.645 10.112 2.457 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.034 7.863 -0.945 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.838 11.100 1.074 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.259 8.890 -2.348 1.00 0.00 H new ATOM 0 HH TYR A 59 1.473 10.272 -2.392 1.00 0.00 H new ATOM 943 N ASN A 60 8.723 8.556 3.273 1.00 0.00 N ATOM 944 CA ASN A 60 9.661 8.090 4.295 1.00 0.00 C ATOM 945 C ASN A 60 9.290 6.710 4.848 1.00 0.00 C ATOM 946 O ASN A 60 9.281 6.464 6.058 1.00 0.00 O ATOM 947 CB ASN A 60 9.808 9.175 5.366 1.00 0.00 C ATOM 948 CG ASN A 60 10.843 8.859 6.434 1.00 0.00 C ATOM 949 OD1 ASN A 60 11.765 8.067 6.259 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.740 9.533 7.564 1.00 0.00 N ATOM 0 H ASN A 60 9.199 8.809 2.407 1.00 0.00 H new ATOM 0 HA ASN A 60 10.641 7.933 3.845 1.00 0.00 H new ATOM 0 HB2 ASN A 60 10.077 10.114 4.882 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.842 9.329 5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.430 9.399 8.303 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.970 10.188 7.699 1.00 0.00 H new ATOM 957 N ILE A 61 8.986 5.796 3.928 1.00 0.00 N ATOM 958 CA ILE A 61 8.627 4.417 4.219 1.00 0.00 C ATOM 959 C ILE A 61 9.962 3.678 4.228 1.00 0.00 C ATOM 960 O ILE A 61 10.717 3.758 3.254 1.00 0.00 O ATOM 961 CB ILE A 61 7.644 3.904 3.141 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.329 4.715 3.199 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.334 2.409 3.326 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.463 4.580 1.948 1.00 0.00 C ATOM 0 H ILE A 61 8.984 6.006 2.930 1.00 0.00 H new ATOM 0 HA ILE A 61 8.109 4.276 5.168 1.00 0.00 H new ATOM 0 HB ILE A 61 8.118 4.036 2.168 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.752 4.391 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.569 5.767 3.351 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.640 2.083 2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.257 1.834 3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.885 2.249 4.306 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.559 5.178 2.065 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.021 4.932 1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.191 3.534 1.805 1.00 0.00 H new ATOM 976 N GLN A 62 10.290 3.009 5.333 1.00 0.00 N ATOM 977 CA GLN A 62 11.539 2.263 5.475 1.00 0.00 C ATOM 978 C GLN A 62 11.295 0.764 5.293 1.00 0.00 C ATOM 979 O GLN A 62 10.160 0.332 5.073 1.00 0.00 O ATOM 980 CB GLN A 62 12.261 2.649 6.780 1.00 0.00 C ATOM 981 CG GLN A 62 12.611 4.151 6.842 1.00 0.00 C ATOM 982 CD GLN A 62 13.319 4.661 5.587 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.186 3.999 5.028 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.949 5.826 5.085 1.00 0.00 N ATOM 0 H GLN A 62 9.693 2.969 6.159 1.00 0.00 H new ATOM 0 HA GLN A 62 12.228 2.540 4.677 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.630 2.391 7.630 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.175 2.062 6.872 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.696 4.724 6.992 1.00 0.00 H new ATOM 0 HG3 GLN A 62 13.247 4.333 7.708 1.00 0.00 H new ATOM 0 HE21 GLN A 62 12.227 6.376 5.551 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.385 6.175 4.232 1.00 0.00 H new ATOM 993 N LYS A 63 12.367 -0.028 5.349 1.00 0.00 N ATOM 994 CA LYS A 63 12.294 -1.470 5.161 1.00 0.00 C ATOM 995 C LYS A 63 11.479 -2.156 6.253 1.00 0.00 C ATOM 996 O LYS A 63 11.332 -1.645 7.371 1.00 0.00 O ATOM 997 CB LYS A 63 13.709 -2.057 4.994 1.00 0.00 C ATOM 998 CG LYS A 63 14.632 -1.934 6.216 1.00 0.00 C ATOM 999 CD LYS A 63 16.047 -2.404 5.851 1.00 0.00 C ATOM 1000 CE LYS A 63 17.020 -2.159 7.009 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.428 -2.342 6.601 1.00 0.00 N ATOM 0 H LYS A 63 13.310 0.317 5.527 1.00 0.00 H new ATOM 0 HA LYS A 63 11.750 -1.670 4.238 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.616 -3.112 4.737 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.189 -1.564 4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.660 -0.900 6.559 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.242 -2.532 7.039 1.00 0.00 H new ATOM 0 HD2 LYS A 63 16.030 -3.465 5.604 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.392 -1.875 4.962 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.882 -1.147 7.390 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.789 -2.841 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 19.051 -2.166 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.567 -3.315 6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.658 -1.673 5.838 1.00 0.00 H new ATOM 1015 N GLU A 64 10.949 -3.319 5.889 1.00 0.00 N ATOM 1016 CA GLU A 64 10.118 -4.209 6.680 1.00 0.00 C ATOM 1017 C GLU A 64 8.981 -3.466 7.399 1.00 0.00 C ATOM 1018 O GLU A 64 8.627 -3.803 8.531 1.00 0.00 O ATOM 1019 CB GLU A 64 11.011 -5.086 7.578 1.00 0.00 C ATOM 1020 CG GLU A 64 11.765 -6.165 6.784 1.00 0.00 C ATOM 1021 CD GLU A 64 12.937 -5.650 5.936 1.00 0.00 C ATOM 1022 OE1 GLU A 64 12.811 -5.538 4.696 1.00 0.00 O ATOM 1023 OE2 GLU A 64 14.038 -5.449 6.499 1.00 0.00 O ATOM 0 H GLU A 64 11.106 -3.691 4.952 1.00 0.00 H new ATOM 0 HA GLU A 64 9.582 -4.894 6.023 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.730 -4.453 8.098 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.396 -5.564 8.341 1.00 0.00 H new ATOM 0 HG2 GLU A 64 12.143 -6.911 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 64 11.058 -6.672 6.128 1.00 0.00 H new ATOM 1030 N SER A 65 8.415 -2.433 6.767 1.00 0.00 N ATOM 1031 CA SER A 65 7.310 -1.645 7.307 1.00 0.00 C ATOM 1032 C SER A 65 5.991 -2.394 7.074 1.00 0.00 C ATOM 1033 O SER A 65 5.958 -3.331 6.277 1.00 0.00 O ATOM 1034 CB SER A 65 7.313 -0.246 6.673 1.00 0.00 C ATOM 1035 OG SER A 65 7.585 -0.288 5.285 1.00 0.00 O ATOM 0 H SER A 65 8.721 -2.117 5.847 1.00 0.00 H new ATOM 0 HA SER A 65 7.426 -1.511 8.382 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.345 0.227 6.838 1.00 0.00 H new ATOM 0 HB3 SER A 65 8.060 0.374 7.169 1.00 0.00 H new ATOM 0 HG SER A 65 8.447 0.143 5.107 1.00 0.00 H new ATOM 1041 N THR A 66 4.909 -2.022 7.766 1.00 0.00 N ATOM 1042 CA THR A 66 3.604 -2.658 7.614 1.00 0.00 C ATOM 1043 C THR A 66 2.584 -1.567 7.313 1.00 0.00 C ATOM 1044 O THR A 66 2.296 -0.715 8.155 1.00 0.00 O ATOM 1045 CB THR A 66 3.242 -3.532 8.822 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.254 -4.489 9.084 1.00 0.00 O ATOM 1047 CG2 THR A 66 1.952 -4.309 8.536 1.00 0.00 C ATOM 0 H THR A 66 4.918 -1.266 8.451 1.00 0.00 H new ATOM 0 HA THR A 66 3.618 -3.359 6.779 1.00 0.00 H new ATOM 0 HB THR A 66 3.124 -2.868 9.678 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.999 -5.031 9.859 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.701 -4.927 9.398 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.140 -3.608 8.344 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.096 -4.945 7.663 1.00 0.00 H new ATOM 1055 N LEU A 67 2.073 -1.575 6.083 1.00 0.00 N ATOM 1056 CA LEU A 67 1.096 -0.619 5.595 1.00 0.00 C ATOM 1057 C LEU A 67 -0.309 -1.216 5.720 1.00 0.00 C ATOM 1058 O LEU A 67 -0.477 -2.426 5.901 1.00 0.00 O ATOM 1059 CB LEU A 67 1.438 -0.233 4.145 1.00 0.00 C ATOM 1060 CG LEU A 67 2.718 0.625 4.021 1.00 0.00 C ATOM 1061 CD1 LEU A 67 4.026 -0.179 4.104 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.703 1.381 2.693 1.00 0.00 C ATOM 0 H LEU A 67 2.338 -2.268 5.383 1.00 0.00 H new ATOM 0 HA LEU A 67 1.121 0.292 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.560 -1.141 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.599 0.315 3.716 1.00 0.00 H new ATOM 0 HG LEU A 67 2.703 1.303 4.875 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.875 0.497 4.008 1.00 0.00 H new ATOM 0 HD12 LEU A 67 4.077 -0.692 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 67 4.054 -0.913 3.298 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.606 1.985 2.608 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.664 0.668 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.828 2.030 2.653 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.323 -0.355 5.677 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.733 -0.710 5.770 1.00 0.00 C ATOM 1076 C HIS A 68 -3.459 -0.283 4.498 1.00 0.00 C ATOM 1077 O HIS A 68 -3.083 0.690 3.844 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.382 -0.010 6.972 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.213 -0.709 8.296 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.186 -0.528 9.195 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -4.134 -1.540 8.879 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.488 -1.223 10.303 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -3.672 -1.849 10.163 1.00 0.00 N ATOM 0 H HIS A 68 -1.177 0.649 5.572 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.809 -1.790 5.896 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -2.965 0.994 7.055 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.448 0.103 6.773 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.050 -1.892 8.429 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.867 -1.273 11.185 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.140 -2.433 10.856 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.546 -0.986 4.195 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.422 -0.771 3.052 1.00 0.00 C ATOM 1093 C LEU A 69 -6.822 -0.537 3.617 1.00 0.00 C ATOM 1094 O LEU A 69 -7.259 -1.340 4.448 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.339 -2.007 2.147 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.047 -2.039 1.311 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -3.812 -3.462 0.813 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.117 -1.073 0.123 1.00 0.00 C ATOM 0 H LEU A 69 -4.855 -1.766 4.775 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.142 0.089 2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.394 -2.907 2.760 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.201 -2.023 1.479 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.219 -1.720 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.898 -3.494 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.714 -4.134 1.665 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.655 -3.776 0.198 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.187 -1.124 -0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.950 -1.350 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.264 -0.057 0.489 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.495 0.561 3.248 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.838 0.895 3.736 1.00 0.00 C ATOM 1112 C VAL A 70 -9.778 1.439 2.644 1.00 0.00 C ATOM 1113 O VAL A 70 -9.353 1.689 1.511 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.726 1.894 4.919 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.880 1.365 6.090 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.160 3.257 4.482 1.00 0.00 C ATOM 0 H VAL A 70 -7.118 1.249 2.596 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.294 -0.035 4.074 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.752 2.018 5.265 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.845 2.114 6.881 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.327 0.449 6.477 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.868 1.156 5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.101 3.920 5.345 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.164 3.119 4.062 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.814 3.698 3.729 1.00 0.00 H new ATOM 1126 N LEU A 71 -11.070 1.563 2.969 1.00 0.00 N ATOM 1127 CA LEU A 71 -12.144 2.090 2.120 1.00 0.00 C ATOM 1128 C LEU A 71 -13.112 2.908 2.985 1.00 0.00 C ATOM 1129 O LEU A 71 -12.816 3.178 4.150 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.859 0.972 1.329 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.789 0.029 2.131 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -14.652 -0.795 1.172 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.003 -0.927 3.030 1.00 0.00 C ATOM 0 H LEU A 71 -11.414 1.281 3.887 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.712 2.748 1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.449 1.439 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -12.098 0.363 0.840 1.00 0.00 H new ATOM 0 HG LEU A 71 -14.415 0.659 2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.303 -1.456 1.745 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.259 -0.126 0.563 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.009 -1.391 0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.697 -1.569 3.573 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.343 -1.542 2.418 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.409 -0.352 3.740 1.00 0.00 H new