USER MOD reduce.3.24.130724 H: found=0, std=0, add=668, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 665 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 65 SER OG : rot -63:sc= 0.649 USER MOD Set 1.2: A 78 LYS NZ :NH3+ -154:sc= -0.482 (180deg=-1.51!) USER MOD Set 2.1: A 50 ASN : amide:sc= 1.19 K(o=0.13,f=-13!) USER MOD Set 2.2: A 58 THR OG1 : rot -120:sc= -1.06 USER MOD Set 3.1: A 25 THR OG1 : rot 75:sc= 1.44 USER MOD Set 3.2: A 31 TYR OH : rot -14:sc= 0.241 USER MOD Set 4.1: A 10 THR OG1 : rot 160:sc= -0.0609 USER MOD Set 4.2: A 11 THR OG1 : rot 164:sc= 2.57 USER MOD Set 4.3: A 14 CYS SG : rot 62:sc= 1.17 USER MOD Set 5.1: A 9 TYR OH : rot 15:sc= 0.978 USER MOD Set 5.2: A 60 LYS NZ :NH3+ -160:sc= 0.321 (180deg=-2.15!) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0783 (180deg=-0.474) USER MOD Single : A 1 MET N :NH3+ -159:sc= -0.087 (180deg=-0.388) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 CYS SG : rot -91:sc= 0.728 USER MOD Single : A 21 LYS NZ :NH3+ -134:sc= 0.249 (180deg=-1.53!) USER MOD Single : A 22 THR OG1 : rot 79:sc= 0.587 USER MOD Single : A 27 ASN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN : amide:sc= 0.66 K(o=0.66,f=-0.052) USER MOD Single : A 48 SER OG : rot 88:sc= 1.14 USER MOD Single : A 53 ASN : amide:sc= -1.99! C(o=-2!,f=-8.3!) USER MOD Single : A 55 THR OG1 : rot -24:sc= 0.246 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -88:sc= 0.496 USER MOD Single : A 69 ASN : amide:sc= -0.245 K(o=-0.24,f=-3.8!) USER MOD Single : A 71 SER OG : rot 136:sc= -0.196 USER MOD Single : A 76 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0218) USER MOD Single : A 81 LYS NZ :NH3+ -166:sc= -0.034 (180deg=-0.279) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.949 8.388 5.487 1.00 0.00 N ATOM 2 CA MET A 1 13.188 7.299 6.116 1.00 0.00 C ATOM 3 C MET A 1 11.756 7.768 6.427 1.00 0.00 C ATOM 4 O MET A 1 10.836 6.958 6.535 1.00 0.00 O ATOM 5 CB MET A 1 13.899 6.823 7.399 1.00 0.00 C ATOM 6 CG MET A 1 13.292 5.576 8.039 1.00 0.00 C ATOM 7 SD MET A 1 13.353 4.119 6.966 1.00 0.00 S ATOM 8 CE MET A 1 15.124 3.915 6.737 1.00 0.00 C ATOM 0 H1 MET A 1 14.758 7.991 4.967 1.00 0.00 H new ATOM 0 H2 MET A 1 13.334 8.905 4.827 1.00 0.00 H new ATOM 0 H3 MET A 1 14.295 9.039 6.221 1.00 0.00 H new ATOM 0 HA MET A 1 13.133 6.458 5.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.945 6.623 7.166 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.884 7.633 8.128 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.821 5.358 8.967 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.255 5.780 8.304 1.00 0.00 H new ATOM 0 HE1 MET A 1 15.329 2.912 6.364 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.485 4.651 6.018 1.00 0.00 H new ATOM 0 HE3 MET A 1 15.633 4.059 7.690 1.00 0.00 H new ATOM 20 N VAL A 2 11.586 9.085 6.544 1.00 0.00 N ATOM 21 CA VAL A 2 10.309 9.747 6.785 1.00 0.00 C ATOM 22 C VAL A 2 9.741 9.399 8.176 1.00 0.00 C ATOM 23 O VAL A 2 10.092 10.036 9.157 1.00 0.00 O ATOM 24 CB VAL A 2 9.256 9.494 5.644 1.00 0.00 C ATOM 25 CG1 VAL A 2 8.009 10.347 5.840 1.00 0.00 C ATOM 26 CG2 VAL A 2 9.865 9.748 4.266 1.00 0.00 C ATOM 0 H VAL A 2 12.363 9.741 6.471 1.00 0.00 H new ATOM 0 HA VAL A 2 10.515 10.817 6.771 1.00 0.00 H new ATOM 0 HB VAL A 2 8.961 8.446 5.701 1.00 0.00 H new ATOM 0 HG11 VAL A 2 7.302 10.148 5.035 1.00 0.00 H new ATOM 0 HG12 VAL A 2 7.548 10.102 6.797 1.00 0.00 H new ATOM 0 HG13 VAL A 2 8.284 11.402 5.829 1.00 0.00 H new ATOM 0 HG21 VAL A 2 9.114 9.565 3.497 1.00 0.00 H new ATOM 0 HG22 VAL A 2 10.205 10.782 4.203 1.00 0.00 H new ATOM 0 HG23 VAL A 2 10.711 9.078 4.113 1.00 0.00 H new ATOM 36 N THR A 3 8.931 8.359 8.247 1.00 0.00 N ATOM 37 CA THR A 3 8.289 7.911 9.476 1.00 0.00 C ATOM 38 C THR A 3 7.317 6.796 9.113 1.00 0.00 C ATOM 39 O THR A 3 7.298 5.731 9.735 1.00 0.00 O ATOM 40 CB THR A 3 7.561 9.082 10.283 1.00 0.00 C ATOM 41 OG1 THR A 3 6.934 8.586 11.471 1.00 0.00 O ATOM 42 CG2 THR A 3 6.526 9.837 9.443 1.00 0.00 C ATOM 0 H THR A 3 8.694 7.788 7.436 1.00 0.00 H new ATOM 0 HA THR A 3 9.059 7.547 10.156 1.00 0.00 H new ATOM 0 HB THR A 3 8.350 9.785 10.551 1.00 0.00 H new ATOM 0 HG1 THR A 3 6.498 9.325 11.944 1.00 0.00 H new ATOM 0 HG21 THR A 3 6.067 10.619 10.048 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.016 10.287 8.580 1.00 0.00 H new ATOM 0 HG23 THR A 3 5.757 9.143 9.103 1.00 0.00 H new ATOM 50 N ALA A 4 6.565 7.029 8.060 1.00 0.00 N ATOM 51 CA ALA A 4 5.649 6.063 7.529 1.00 0.00 C ATOM 52 C ALA A 4 6.263 5.538 6.268 1.00 0.00 C ATOM 53 O ALA A 4 7.136 6.205 5.691 1.00 0.00 O ATOM 54 CB ALA A 4 4.305 6.712 7.236 1.00 0.00 C ATOM 0 H ALA A 4 6.578 7.910 7.546 1.00 0.00 H new ATOM 0 HA ALA A 4 5.471 5.258 8.242 1.00 0.00 H new ATOM 0 HB1 ALA A 4 3.620 5.965 6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 4 3.892 7.124 8.156 1.00 0.00 H new ATOM 0 HB3 ALA A 4 4.438 7.512 6.508 1.00 0.00 H new ATOM 60 N ALA A 5 5.869 4.375 5.848 1.00 0.00 N ATOM 61 CA ALA A 5 6.442 3.810 4.651 1.00 0.00 C ATOM 62 C ALA A 5 5.449 3.920 3.514 1.00 0.00 C ATOM 63 O ALA A 5 5.659 4.665 2.541 1.00 0.00 O ATOM 64 CB ALA A 5 6.837 2.362 4.898 1.00 0.00 C ATOM 0 H ALA A 5 5.162 3.799 6.305 1.00 0.00 H new ATOM 0 HA ALA A 5 7.341 4.362 4.378 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.269 1.943 3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 5 7.571 2.317 5.703 1.00 0.00 H new ATOM 0 HB3 ALA A 5 5.955 1.787 5.179 1.00 0.00 H new ATOM 70 N LEU A 6 4.352 3.231 3.672 1.00 0.00 N ATOM 71 CA LEU A 6 3.282 3.242 2.725 1.00 0.00 C ATOM 72 C LEU A 6 2.034 2.789 3.401 1.00 0.00 C ATOM 73 O LEU A 6 2.038 1.800 4.132 1.00 0.00 O ATOM 74 CB LEU A 6 3.594 2.481 1.369 1.00 0.00 C ATOM 75 CG LEU A 6 3.932 0.950 1.332 1.00 0.00 C ATOM 76 CD1 LEU A 6 5.054 0.531 2.251 1.00 0.00 C ATOM 77 CD2 LEU A 6 2.711 0.082 1.491 1.00 0.00 C ATOM 0 H LEU A 6 4.178 2.635 4.481 1.00 0.00 H new ATOM 0 HA LEU A 6 3.142 4.268 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.730 2.628 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.433 2.999 0.904 1.00 0.00 H new ATOM 0 HG LEU A 6 4.317 0.783 0.326 1.00 0.00 H new ATOM 0 HD11 LEU A 6 5.218 -0.543 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.966 1.062 1.978 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.790 0.771 3.281 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.004 -0.967 1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.235 0.296 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.010 0.289 0.682 1.00 0.00 H new ATOM 89 N THR A 7 0.993 3.522 3.204 1.00 0.00 N ATOM 90 CA THR A 7 -0.231 3.268 3.871 1.00 0.00 C ATOM 91 C THR A 7 -1.221 2.580 2.946 1.00 0.00 C ATOM 92 O THR A 7 -1.485 3.036 1.834 1.00 0.00 O ATOM 93 CB THR A 7 -0.809 4.578 4.415 1.00 0.00 C ATOM 94 OG1 THR A 7 0.241 5.270 5.121 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.952 4.298 5.379 1.00 0.00 C ATOM 0 H THR A 7 0.970 4.320 2.570 1.00 0.00 H new ATOM 0 HA THR A 7 -0.040 2.596 4.708 1.00 0.00 H new ATOM 0 HB THR A 7 -1.190 5.179 3.589 1.00 0.00 H new ATOM 0 HG1 THR A 7 -0.106 6.114 5.477 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.350 5.240 5.755 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.740 3.753 4.860 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.586 3.700 6.214 1.00 0.00 H new ATOM 103 N ILE A 8 -1.729 1.487 3.422 1.00 0.00 N ATOM 104 CA ILE A 8 -2.662 0.651 2.736 1.00 0.00 C ATOM 105 C ILE A 8 -4.083 1.106 3.001 1.00 0.00 C ATOM 106 O ILE A 8 -4.502 1.235 4.156 1.00 0.00 O ATOM 107 CB ILE A 8 -2.492 -0.830 3.209 1.00 0.00 C ATOM 108 CG1 ILE A 8 -1.177 -1.435 2.704 1.00 0.00 C ATOM 109 CG2 ILE A 8 -3.683 -1.695 2.844 1.00 0.00 C ATOM 110 CD1 ILE A 8 -0.921 -2.842 3.194 1.00 0.00 C ATOM 0 H ILE A 8 -1.491 1.136 4.349 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.466 0.720 1.666 1.00 0.00 H new ATOM 0 HB ILE A 8 -2.447 -0.807 4.298 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -1.184 -1.436 1.614 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -0.351 -0.796 3.017 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -3.514 -2.713 3.195 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -4.581 -1.294 3.313 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.810 -1.701 1.761 1.00 0.00 H new ATOM 0 HD11 ILE A 8 0.028 -3.200 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.880 -2.846 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.726 -3.496 2.859 1.00 0.00 H new ATOM 122 N TYR A 9 -4.784 1.381 1.936 1.00 0.00 N ATOM 123 CA TYR A 9 -6.180 1.694 1.988 1.00 0.00 C ATOM 124 C TYR A 9 -6.947 0.499 1.528 1.00 0.00 C ATOM 125 O TYR A 9 -6.801 0.082 0.372 1.00 0.00 O ATOM 126 CB TYR A 9 -6.528 2.859 1.081 1.00 0.00 C ATOM 127 CG TYR A 9 -5.901 4.161 1.442 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.022 4.685 2.717 1.00 0.00 C ATOM 129 CD2 TYR A 9 -5.203 4.880 0.503 1.00 0.00 C ATOM 130 CE1 TYR A 9 -5.455 5.891 3.041 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.640 6.081 0.816 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.770 6.587 2.081 1.00 0.00 C ATOM 133 OH TYR A 9 -4.204 7.791 2.383 1.00 0.00 O ATOM 0 H TYR A 9 -4.393 1.393 0.994 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.432 1.967 3.013 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.235 2.604 0.062 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.611 2.985 1.079 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.571 4.136 3.468 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.099 4.488 -0.498 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -5.548 6.287 4.041 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.092 6.633 0.067 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.169 7.901 3.356 1.00 0.00 H new ATOM 143 N THR A 10 -7.721 -0.068 2.403 1.00 0.00 N ATOM 144 CA THR A 10 -8.514 -1.198 2.061 1.00 0.00 C ATOM 145 C THR A 10 -9.588 -1.391 3.114 1.00 0.00 C ATOM 146 O THR A 10 -9.602 -0.698 4.149 1.00 0.00 O ATOM 147 CB THR A 10 -7.631 -2.500 1.945 1.00 0.00 C ATOM 148 OG1 THR A 10 -8.384 -3.594 1.383 1.00 0.00 O ATOM 149 CG2 THR A 10 -7.079 -2.927 3.306 1.00 0.00 C ATOM 0 H THR A 10 -7.817 0.242 3.370 1.00 0.00 H new ATOM 0 HA THR A 10 -8.975 -1.020 1.090 1.00 0.00 H new ATOM 0 HB THR A 10 -6.800 -2.255 1.284 1.00 0.00 H new ATOM 0 HG1 THR A 10 -7.767 -4.267 1.027 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.476 -3.827 3.188 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.462 -2.127 3.715 1.00 0.00 H new ATOM 0 HG23 THR A 10 -7.906 -3.131 3.986 1.00 0.00 H new ATOM 157 N THR A 11 -10.490 -2.252 2.810 1.00 0.00 N ATOM 158 CA THR A 11 -11.474 -2.727 3.705 1.00 0.00 C ATOM 159 C THR A 11 -11.353 -4.227 3.746 1.00 0.00 C ATOM 160 O THR A 11 -10.780 -4.820 2.818 1.00 0.00 O ATOM 161 CB THR A 11 -12.853 -2.344 3.215 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.851 -2.326 1.780 1.00 0.00 O ATOM 163 CG2 THR A 11 -13.281 -1.008 3.776 1.00 0.00 C ATOM 0 H THR A 11 -10.563 -2.664 1.880 1.00 0.00 H new ATOM 0 HA THR A 11 -11.331 -2.294 4.695 1.00 0.00 H new ATOM 0 HB THR A 11 -13.575 -3.082 3.564 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.774 -2.339 1.451 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.276 -0.760 3.406 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.301 -1.060 4.865 1.00 0.00 H new ATOM 0 HG23 THR A 11 -12.575 -0.239 3.463 1.00 0.00 H new ATOM 171 N SER A 12 -11.885 -4.844 4.758 1.00 0.00 N ATOM 172 CA SER A 12 -11.823 -6.275 4.894 1.00 0.00 C ATOM 173 C SER A 12 -12.786 -6.983 3.923 1.00 0.00 C ATOM 174 O SER A 12 -12.759 -8.216 3.791 1.00 0.00 O ATOM 175 CB SER A 12 -12.080 -6.660 6.343 1.00 0.00 C ATOM 176 OG SER A 12 -11.102 -6.053 7.185 1.00 0.00 O ATOM 0 H SER A 12 -12.376 -4.371 5.517 1.00 0.00 H new ATOM 0 HA SER A 12 -10.823 -6.612 4.622 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.079 -6.341 6.642 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.045 -7.744 6.453 1.00 0.00 H new ATOM 0 HG SER A 12 -11.273 -6.302 8.117 1.00 0.00 H new ATOM 182 N TRP A 13 -13.634 -6.208 3.244 1.00 0.00 N ATOM 183 CA TRP A 13 -14.507 -6.768 2.225 1.00 0.00 C ATOM 184 C TRP A 13 -13.849 -6.835 0.855 1.00 0.00 C ATOM 185 O TRP A 13 -14.424 -7.387 -0.079 1.00 0.00 O ATOM 186 CB TRP A 13 -15.901 -6.107 2.163 1.00 0.00 C ATOM 187 CG TRP A 13 -15.947 -4.609 2.125 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.212 -3.799 3.176 1.00 0.00 C ATOM 189 CD2 TRP A 13 -15.771 -3.745 0.988 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.187 -2.496 2.792 1.00 0.00 N ATOM 191 CE2 TRP A 13 -15.925 -2.426 1.447 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.487 -3.956 -0.364 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -15.811 -1.322 0.604 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.377 -2.862 -1.201 1.00 0.00 C ATOM 195 CH2 TRP A 13 -15.536 -1.561 -0.715 1.00 0.00 C ATOM 0 H TRP A 13 -13.731 -5.202 3.383 1.00 0.00 H new ATOM 0 HA TRP A 13 -14.681 -7.795 2.545 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -16.414 -6.483 1.278 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.472 -6.441 3.029 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.415 -4.141 4.180 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -16.339 -1.696 3.406 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.356 -4.957 -0.748 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -15.935 -0.316 0.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.165 -3.015 -2.249 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -15.440 -0.727 -1.395 1.00 0.00 H new ATOM 206 N CYS A 14 -12.654 -6.293 0.734 1.00 0.00 N ATOM 207 CA CYS A 14 -11.918 -6.382 -0.514 1.00 0.00 C ATOM 208 C CYS A 14 -11.290 -7.775 -0.610 1.00 0.00 C ATOM 209 O CYS A 14 -10.882 -8.330 0.406 1.00 0.00 O ATOM 210 CB CYS A 14 -10.842 -5.287 -0.584 1.00 0.00 C ATOM 211 SG CYS A 14 -11.488 -3.596 -0.562 1.00 0.00 S ATOM 0 H CYS A 14 -12.173 -5.789 1.479 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.594 -6.230 -1.356 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.159 -5.412 0.256 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -10.258 -5.427 -1.493 1.00 0.00 H new ATOM 0 HG CYS A 14 -12.114 -3.385 0.558 1.00 0.00 H new ATOM 217 N GLY A 15 -11.224 -8.333 -1.799 1.00 0.00 N ATOM 218 CA GLY A 15 -10.709 -9.688 -1.966 1.00 0.00 C ATOM 219 C GLY A 15 -9.223 -9.804 -1.674 1.00 0.00 C ATOM 220 O GLY A 15 -8.776 -10.724 -0.991 1.00 0.00 O ATOM 0 H GLY A 15 -11.517 -7.878 -2.664 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -11.256 -10.361 -1.306 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.899 -10.019 -2.987 1.00 0.00 H new ATOM 224 N TYR A 16 -8.465 -8.853 -2.148 1.00 0.00 N ATOM 225 CA TYR A 16 -7.018 -8.881 -1.989 1.00 0.00 C ATOM 226 C TYR A 16 -6.528 -8.373 -0.639 1.00 0.00 C ATOM 227 O TYR A 16 -5.330 -8.434 -0.387 1.00 0.00 O ATOM 228 CB TYR A 16 -6.292 -8.134 -3.104 1.00 0.00 C ATOM 229 CG TYR A 16 -6.404 -8.763 -4.466 1.00 0.00 C ATOM 230 CD1 TYR A 16 -5.771 -9.965 -4.748 1.00 0.00 C ATOM 231 CD2 TYR A 16 -7.121 -8.148 -5.473 1.00 0.00 C ATOM 232 CE1 TYR A 16 -5.859 -10.536 -6.004 1.00 0.00 C ATOM 233 CE2 TYR A 16 -7.208 -8.705 -6.728 1.00 0.00 C ATOM 234 CZ TYR A 16 -6.579 -9.896 -6.992 1.00 0.00 C ATOM 235 OH TYR A 16 -6.658 -10.442 -8.259 1.00 0.00 O ATOM 0 H TYR A 16 -8.819 -8.040 -2.652 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.771 -9.941 -2.047 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.684 -7.118 -3.156 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.237 -8.056 -2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -5.202 -10.461 -3.976 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.623 -7.213 -5.272 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -5.368 -11.476 -6.210 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -7.770 -8.206 -7.504 1.00 0.00 H new ATOM 0 HH TYR A 16 -7.205 -9.864 -8.831 1.00 0.00 H new ATOM 245 N CYS A 17 -7.428 -7.853 0.206 1.00 0.00 N ATOM 246 CA CYS A 17 -7.019 -7.192 1.465 1.00 0.00 C ATOM 247 C CYS A 17 -6.044 -8.041 2.307 1.00 0.00 C ATOM 248 O CYS A 17 -4.876 -7.680 2.440 1.00 0.00 O ATOM 249 CB CYS A 17 -8.244 -6.785 2.310 1.00 0.00 C ATOM 250 SG CYS A 17 -9.328 -8.150 2.817 1.00 0.00 S ATOM 0 H CYS A 17 -8.436 -7.873 0.049 1.00 0.00 H new ATOM 0 HA CYS A 17 -6.481 -6.292 1.167 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.892 -6.271 3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -8.834 -6.067 1.741 1.00 0.00 H new ATOM 0 HG CYS A 17 -10.263 -8.315 1.928 1.00 0.00 H new ATOM 256 N LEU A 18 -6.494 -9.203 2.766 1.00 0.00 N ATOM 257 CA LEU A 18 -5.684 -10.075 3.618 1.00 0.00 C ATOM 258 C LEU A 18 -4.515 -10.675 2.852 1.00 0.00 C ATOM 259 O LEU A 18 -3.442 -10.924 3.411 1.00 0.00 O ATOM 260 CB LEU A 18 -6.544 -11.166 4.348 1.00 0.00 C ATOM 261 CG LEU A 18 -7.317 -12.265 3.534 1.00 0.00 C ATOM 262 CD1 LEU A 18 -8.264 -11.709 2.484 1.00 0.00 C ATOM 263 CD2 LEU A 18 -6.398 -13.337 2.957 1.00 0.00 C ATOM 0 H LEU A 18 -7.424 -9.568 2.562 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.262 -9.449 4.404 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.880 -11.687 5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -7.282 -10.639 4.953 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.950 -12.753 4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.758 -12.532 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.013 -11.081 2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -7.701 -11.115 1.765 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.991 -14.067 2.406 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.676 -12.874 2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -5.869 -13.837 3.768 1.00 0.00 H new ATOM 275 N ARG A 19 -4.727 -10.850 1.562 1.00 0.00 N ATOM 276 CA ARG A 19 -3.739 -11.397 0.651 1.00 0.00 C ATOM 277 C ARG A 19 -2.495 -10.513 0.647 1.00 0.00 C ATOM 278 O ARG A 19 -1.365 -10.992 0.794 1.00 0.00 O ATOM 279 CB ARG A 19 -4.355 -11.481 -0.761 1.00 0.00 C ATOM 280 CG ARG A 19 -3.399 -11.916 -1.859 1.00 0.00 C ATOM 281 CD ARG A 19 -2.850 -13.302 -1.617 1.00 0.00 C ATOM 282 NE ARG A 19 -1.876 -13.679 -2.637 1.00 0.00 N ATOM 283 CZ ARG A 19 -0.810 -14.456 -2.414 1.00 0.00 C ATOM 284 NH1 ARG A 19 -0.596 -14.974 -1.196 1.00 0.00 N ATOM 285 NH2 ARG A 19 0.035 -14.722 -3.409 1.00 0.00 N ATOM 0 H ARG A 19 -5.609 -10.611 1.108 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.445 -12.396 0.972 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.193 -12.178 -0.734 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -4.762 -10.504 -1.021 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.915 -11.893 -2.819 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.575 -11.206 -1.924 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.382 -13.342 -0.633 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.668 -14.022 -1.610 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.018 -13.326 -3.583 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.247 -14.776 -0.436 1.00 0.00 H new ATOM 0 HH12 ARG A 19 0.218 -15.566 -1.029 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.132 -14.334 -4.337 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.849 -15.314 -3.242 1.00 0.00 H new ATOM 299 N LEU A 20 -2.728 -9.234 0.534 1.00 0.00 N ATOM 300 CA LEU A 20 -1.675 -8.253 0.480 1.00 0.00 C ATOM 301 C LEU A 20 -0.973 -8.102 1.839 1.00 0.00 C ATOM 302 O LEU A 20 0.247 -7.907 1.896 1.00 0.00 O ATOM 303 CB LEU A 20 -2.251 -6.925 -0.006 1.00 0.00 C ATOM 304 CG LEU A 20 -1.293 -5.744 -0.097 1.00 0.00 C ATOM 305 CD1 LEU A 20 -0.145 -6.023 -1.067 1.00 0.00 C ATOM 306 CD2 LEU A 20 -2.046 -4.504 -0.510 1.00 0.00 C ATOM 0 H LEU A 20 -3.666 -8.837 0.476 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.914 -8.588 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.685 -7.086 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.068 -6.647 0.660 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.855 -5.586 0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.517 -5.158 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 20 0.415 -6.894 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.548 -6.216 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.355 -3.663 -0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.509 -4.667 -1.483 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.818 -4.285 0.227 1.00 0.00 H new ATOM 318 N LYS A 21 -1.737 -8.238 2.926 1.00 0.00 N ATOM 319 CA LYS A 21 -1.178 -8.114 4.285 1.00 0.00 C ATOM 320 C LYS A 21 -0.140 -9.210 4.485 1.00 0.00 C ATOM 321 O LYS A 21 0.984 -8.959 4.946 1.00 0.00 O ATOM 322 CB LYS A 21 -2.267 -8.282 5.368 1.00 0.00 C ATOM 323 CG LYS A 21 -3.579 -7.529 5.119 1.00 0.00 C ATOM 324 CD LYS A 21 -3.471 -6.021 4.847 1.00 0.00 C ATOM 325 CE LYS A 21 -3.211 -5.195 6.079 1.00 0.00 C ATOM 326 NZ LYS A 21 -4.148 -5.521 7.184 1.00 0.00 N ATOM 0 H LYS A 21 -2.738 -8.433 2.898 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.740 -7.121 4.382 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -2.493 -9.344 5.467 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.857 -7.953 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -4.081 -7.992 4.269 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.223 -7.672 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.669 -5.848 4.130 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.395 -5.679 4.381 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.187 -5.359 6.414 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.300 -4.138 5.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.512 -4.641 7.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.941 -6.082 6.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.648 -6.069 7.913 1.00 0.00 H new ATOM 340 N THR A 22 -0.523 -10.416 4.109 1.00 0.00 N ATOM 341 CA THR A 22 0.324 -11.572 4.211 1.00 0.00 C ATOM 342 C THR A 22 1.537 -11.442 3.279 1.00 0.00 C ATOM 343 O THR A 22 2.661 -11.697 3.694 1.00 0.00 O ATOM 344 CB THR A 22 -0.477 -12.844 3.871 1.00 0.00 C ATOM 345 OG1 THR A 22 -1.655 -12.887 4.696 1.00 0.00 O ATOM 346 CG2 THR A 22 0.351 -14.101 4.121 1.00 0.00 C ATOM 0 H THR A 22 -1.445 -10.614 3.720 1.00 0.00 H new ATOM 0 HA THR A 22 0.688 -11.645 5.236 1.00 0.00 H new ATOM 0 HB THR A 22 -0.746 -12.813 2.815 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.333 -12.282 4.330 1.00 0.00 H new ATOM 0 HG21 THR A 22 -0.241 -14.982 3.872 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.246 -14.077 3.499 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.640 -14.143 5.171 1.00 0.00 H new ATOM 354 N ALA A 23 1.303 -10.988 2.046 1.00 0.00 N ATOM 355 CA ALA A 23 2.366 -10.839 1.047 1.00 0.00 C ATOM 356 C ALA A 23 3.483 -9.923 1.544 1.00 0.00 C ATOM 357 O ALA A 23 4.675 -10.251 1.428 1.00 0.00 O ATOM 358 CB ALA A 23 1.799 -10.316 -0.268 1.00 0.00 C ATOM 0 H ALA A 23 0.379 -10.715 1.712 1.00 0.00 H new ATOM 0 HA ALA A 23 2.795 -11.827 0.878 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.604 -10.213 -0.996 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.055 -11.016 -0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.333 -9.345 -0.102 1.00 0.00 H new ATOM 364 N LEU A 24 3.108 -8.796 2.123 1.00 0.00 N ATOM 365 CA LEU A 24 4.091 -7.846 2.630 1.00 0.00 C ATOM 366 C LEU A 24 4.768 -8.372 3.879 1.00 0.00 C ATOM 367 O LEU A 24 5.963 -8.185 4.062 1.00 0.00 O ATOM 368 CB LEU A 24 3.468 -6.483 2.914 1.00 0.00 C ATOM 369 CG LEU A 24 2.776 -5.749 1.749 1.00 0.00 C ATOM 370 CD1 LEU A 24 2.274 -4.406 2.216 1.00 0.00 C ATOM 371 CD2 LEU A 24 3.699 -5.554 0.557 1.00 0.00 C ATOM 0 H LEU A 24 2.137 -8.514 2.255 1.00 0.00 H new ATOM 0 HA LEU A 24 4.841 -7.722 1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.736 -6.610 3.711 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.251 -5.832 3.301 1.00 0.00 H new ATOM 0 HG LEU A 24 1.944 -6.374 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.786 -3.892 1.388 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.560 -4.547 3.027 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.113 -3.807 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.164 -5.032 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.564 -4.964 0.859 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.032 -6.526 0.192 1.00 0.00 H new ATOM 383 N THR A 25 4.017 -9.040 4.717 1.00 0.00 N ATOM 384 CA THR A 25 4.558 -9.601 5.935 1.00 0.00 C ATOM 385 C THR A 25 5.573 -10.719 5.619 1.00 0.00 C ATOM 386 O THR A 25 6.672 -10.748 6.188 1.00 0.00 O ATOM 387 CB THR A 25 3.424 -10.124 6.846 1.00 0.00 C ATOM 388 OG1 THR A 25 2.542 -9.034 7.190 1.00 0.00 O ATOM 389 CG2 THR A 25 3.976 -10.741 8.119 1.00 0.00 C ATOM 0 H THR A 25 3.021 -9.211 4.579 1.00 0.00 H new ATOM 0 HA THR A 25 5.084 -8.811 6.471 1.00 0.00 H new ATOM 0 HB THR A 25 2.879 -10.894 6.300 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.983 -8.809 6.417 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.152 -11.099 8.737 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.628 -11.576 7.865 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.544 -9.991 8.670 1.00 0.00 H new ATOM 397 N ALA A 26 5.225 -11.581 4.670 1.00 0.00 N ATOM 398 CA ALA A 26 6.081 -12.689 4.248 1.00 0.00 C ATOM 399 C ALA A 26 7.383 -12.180 3.639 1.00 0.00 C ATOM 400 O ALA A 26 8.441 -12.779 3.807 1.00 0.00 O ATOM 401 CB ALA A 26 5.344 -13.573 3.248 1.00 0.00 C ATOM 0 H ALA A 26 4.338 -11.533 4.168 1.00 0.00 H new ATOM 0 HA ALA A 26 6.328 -13.278 5.131 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.992 -14.394 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 26 4.444 -13.975 3.712 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.069 -12.983 2.374 1.00 0.00 H new ATOM 407 N ASN A 27 7.304 -11.055 2.954 1.00 0.00 N ATOM 408 CA ASN A 27 8.480 -10.459 2.327 1.00 0.00 C ATOM 409 C ASN A 27 9.166 -9.476 3.240 1.00 0.00 C ATOM 410 O ASN A 27 10.100 -8.803 2.831 1.00 0.00 O ATOM 411 CB ASN A 27 8.152 -9.805 0.982 1.00 0.00 C ATOM 412 CG ASN A 27 7.907 -10.813 -0.122 1.00 0.00 C ATOM 413 OD1 ASN A 27 8.841 -11.235 -0.809 1.00 0.00 O ATOM 414 ND2 ASN A 27 6.673 -11.192 -0.320 1.00 0.00 N ATOM 0 H ASN A 27 6.440 -10.531 2.815 1.00 0.00 H new ATOM 0 HA ASN A 27 9.171 -11.280 2.135 1.00 0.00 H new ATOM 0 HB2 ASN A 27 7.269 -9.177 1.096 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.974 -9.150 0.693 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.457 -11.858 -1.062 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.925 -10.822 0.267 1.00 0.00 H new ATOM 421 N ARG A 28 8.696 -9.411 4.481 1.00 0.00 N ATOM 422 CA ARG A 28 9.251 -8.552 5.535 1.00 0.00 C ATOM 423 C ARG A 28 9.308 -7.090 5.109 1.00 0.00 C ATOM 424 O ARG A 28 10.384 -6.497 4.952 1.00 0.00 O ATOM 425 CB ARG A 28 10.619 -9.058 6.010 1.00 0.00 C ATOM 426 CG ARG A 28 10.578 -10.491 6.491 1.00 0.00 C ATOM 427 CD ARG A 28 11.918 -10.967 6.997 1.00 0.00 C ATOM 428 NE ARG A 28 11.839 -12.365 7.420 1.00 0.00 N ATOM 429 CZ ARG A 28 12.478 -12.902 8.460 1.00 0.00 C ATOM 430 NH1 ARG A 28 13.352 -12.185 9.173 1.00 0.00 N ATOM 431 NH2 ARG A 28 12.272 -14.174 8.760 1.00 0.00 N ATOM 0 H ARG A 28 7.899 -9.965 4.795 1.00 0.00 H new ATOM 0 HA ARG A 28 8.570 -8.607 6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.336 -8.974 5.193 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.978 -8.419 6.817 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.839 -10.583 7.287 1.00 0.00 H new ATOM 0 HG3 ARG A 28 10.251 -11.136 5.675 1.00 0.00 H new ATOM 0 HD2 ARG A 28 12.668 -10.860 6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.239 -10.346 7.833 1.00 0.00 H new ATOM 0 HE ARG A 28 11.242 -12.984 6.871 1.00 0.00 H new ATOM 0 HH11 ARG A 28 13.538 -11.213 8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 28 13.833 -12.609 9.966 1.00 0.00 H new ATOM 0 HH21 ARG A 28 11.630 -14.733 8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.755 -14.596 9.553 1.00 0.00 H new ATOM 445 N ILE A 29 8.156 -6.541 4.851 1.00 0.00 N ATOM 446 CA ILE A 29 8.029 -5.176 4.418 1.00 0.00 C ATOM 447 C ILE A 29 7.278 -4.379 5.467 1.00 0.00 C ATOM 448 O ILE A 29 6.269 -4.845 6.009 1.00 0.00 O ATOM 449 CB ILE A 29 7.276 -5.110 3.063 1.00 0.00 C ATOM 450 CG1 ILE A 29 8.046 -5.923 2.021 1.00 0.00 C ATOM 451 CG2 ILE A 29 7.099 -3.661 2.598 1.00 0.00 C ATOM 452 CD1 ILE A 29 7.340 -6.080 0.708 1.00 0.00 C ATOM 0 H ILE A 29 7.267 -7.033 4.936 1.00 0.00 H new ATOM 0 HA ILE A 29 9.024 -4.751 4.285 1.00 0.00 H new ATOM 0 HB ILE A 29 6.280 -5.534 3.190 1.00 0.00 H new ATOM 0 HG12 ILE A 29 9.010 -5.445 1.846 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.250 -6.913 2.430 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.568 -3.647 1.646 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.525 -3.108 3.342 1.00 0.00 H new ATOM 0 HG23 ILE A 29 8.077 -3.196 2.475 1.00 0.00 H new ATOM 0 HD11 ILE A 29 7.958 -6.669 0.031 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.388 -6.588 0.865 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.160 -5.097 0.272 1.00 0.00 H new ATOM 464 N ALA A 30 7.792 -3.226 5.790 1.00 0.00 N ATOM 465 CA ALA A 30 7.156 -2.334 6.723 1.00 0.00 C ATOM 466 C ALA A 30 6.014 -1.619 6.022 1.00 0.00 C ATOM 467 O ALA A 30 6.214 -1.012 4.975 1.00 0.00 O ATOM 468 CB ALA A 30 8.166 -1.329 7.248 1.00 0.00 C ATOM 0 H ALA A 30 8.671 -2.874 5.411 1.00 0.00 H new ATOM 0 HA ALA A 30 6.763 -2.901 7.567 1.00 0.00 H new ATOM 0 HB1 ALA A 30 7.678 -0.657 7.954 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.977 -1.857 7.751 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.570 -0.751 6.417 1.00 0.00 H new ATOM 474 N TYR A 31 4.830 -1.702 6.578 1.00 0.00 N ATOM 475 CA TYR A 31 3.671 -1.093 5.972 1.00 0.00 C ATOM 476 C TYR A 31 2.783 -0.478 7.014 1.00 0.00 C ATOM 477 O TYR A 31 2.857 -0.815 8.203 1.00 0.00 O ATOM 478 CB TYR A 31 2.889 -2.098 5.093 1.00 0.00 C ATOM 479 CG TYR A 31 2.294 -3.309 5.817 1.00 0.00 C ATOM 480 CD1 TYR A 31 3.050 -4.455 6.046 1.00 0.00 C ATOM 481 CD2 TYR A 31 0.967 -3.311 6.236 1.00 0.00 C ATOM 482 CE1 TYR A 31 2.505 -5.558 6.678 1.00 0.00 C ATOM 483 CE2 TYR A 31 0.417 -4.411 6.862 1.00 0.00 C ATOM 484 CZ TYR A 31 1.187 -5.529 7.081 1.00 0.00 C ATOM 485 OH TYR A 31 0.630 -6.628 7.699 1.00 0.00 O ATOM 0 H TYR A 31 4.643 -2.189 7.455 1.00 0.00 H new ATOM 0 HA TYR A 31 4.024 -0.298 5.316 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.079 -1.562 4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 31 3.556 -2.460 4.311 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.081 -4.483 5.724 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.357 -2.436 6.068 1.00 0.00 H new ATOM 0 HE1 TYR A 31 3.108 -6.436 6.855 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.615 -4.394 7.179 1.00 0.00 H new ATOM 0 HH TYR A 31 1.215 -7.404 7.576 1.00 0.00 H new ATOM 495 N ASP A 32 1.971 0.416 6.576 1.00 0.00 N ATOM 496 CA ASP A 32 1.057 1.137 7.409 1.00 0.00 C ATOM 497 C ASP A 32 -0.330 0.889 6.863 1.00 0.00 C ATOM 498 O ASP A 32 -0.490 0.779 5.664 1.00 0.00 O ATOM 499 CB ASP A 32 1.394 2.638 7.354 1.00 0.00 C ATOM 500 CG ASP A 32 2.763 2.973 7.918 1.00 0.00 C ATOM 501 OD1 ASP A 32 2.895 3.059 9.161 1.00 0.00 O ATOM 502 OD2 ASP A 32 3.732 3.157 7.133 1.00 0.00 O ATOM 0 H ASP A 32 1.917 0.680 5.592 1.00 0.00 H new ATOM 0 HA ASP A 32 1.121 0.811 8.447 1.00 0.00 H new ATOM 0 HB2 ASP A 32 1.344 2.976 6.319 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.636 3.193 7.907 1.00 0.00 H new ATOM 507 N GLU A 33 -1.318 0.750 7.707 1.00 0.00 N ATOM 508 CA GLU A 33 -2.669 0.483 7.224 1.00 0.00 C ATOM 509 C GLU A 33 -3.709 1.309 7.970 1.00 0.00 C ATOM 510 O GLU A 33 -3.606 1.518 9.194 1.00 0.00 O ATOM 511 CB GLU A 33 -3.003 -1.011 7.350 1.00 0.00 C ATOM 512 CG GLU A 33 -2.978 -1.550 8.773 1.00 0.00 C ATOM 513 CD GLU A 33 -3.388 -2.984 8.832 1.00 0.00 C ATOM 514 OE1 GLU A 33 -4.579 -3.284 8.645 1.00 0.00 O ATOM 515 OE2 GLU A 33 -2.524 -3.860 9.004 1.00 0.00 O ATOM 0 H GLU A 33 -1.227 0.814 8.721 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.699 0.771 6.173 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.992 -1.185 6.927 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.295 -1.580 6.748 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.974 -1.442 9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.644 -0.956 9.398 1.00 0.00 H new ATOM 522 N VAL A 34 -4.668 1.812 7.236 1.00 0.00 N ATOM 523 CA VAL A 34 -5.796 2.514 7.797 1.00 0.00 C ATOM 524 C VAL A 34 -7.023 2.057 7.007 1.00 0.00 C ATOM 525 O VAL A 34 -6.895 1.754 5.812 1.00 0.00 O ATOM 526 CB VAL A 34 -5.601 4.077 7.748 1.00 0.00 C ATOM 527 CG1 VAL A 34 -5.579 4.627 6.340 1.00 0.00 C ATOM 528 CG2 VAL A 34 -6.634 4.803 8.582 1.00 0.00 C ATOM 0 H VAL A 34 -4.689 1.745 6.218 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.913 2.281 8.855 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.618 4.261 8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.442 5.708 6.374 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -4.757 4.174 5.785 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.522 4.396 5.844 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -6.462 5.878 8.520 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.631 4.573 8.207 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.554 4.483 9.621 1.00 0.00 H new ATOM 538 N ASP A 35 -8.175 1.929 7.628 1.00 0.00 N ATOM 539 CA ASP A 35 -9.314 1.464 6.858 1.00 0.00 C ATOM 540 C ASP A 35 -10.092 2.632 6.294 1.00 0.00 C ATOM 541 O ASP A 35 -10.231 3.699 6.917 1.00 0.00 O ATOM 542 CB ASP A 35 -10.250 0.526 7.638 1.00 0.00 C ATOM 543 CG ASP A 35 -11.252 1.246 8.497 1.00 0.00 C ATOM 544 OD1 ASP A 35 -10.948 1.558 9.649 1.00 0.00 O ATOM 545 OD2 ASP A 35 -12.388 1.476 8.033 1.00 0.00 O ATOM 0 H ASP A 35 -8.348 2.128 8.613 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.899 0.872 6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.782 -0.111 6.931 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.649 -0.130 8.268 1.00 0.00 H new ATOM 550 N ILE A 36 -10.573 2.432 5.114 1.00 0.00 N ATOM 551 CA ILE A 36 -11.310 3.433 4.373 1.00 0.00 C ATOM 552 C ILE A 36 -12.793 3.481 4.738 1.00 0.00 C ATOM 553 O ILE A 36 -13.530 4.324 4.246 1.00 0.00 O ATOM 554 CB ILE A 36 -11.158 3.186 2.873 1.00 0.00 C ATOM 555 CG1 ILE A 36 -11.691 1.790 2.520 1.00 0.00 C ATOM 556 CG2 ILE A 36 -9.696 3.310 2.514 1.00 0.00 C ATOM 557 CD1 ILE A 36 -11.662 1.437 1.055 1.00 0.00 C ATOM 0 H ILE A 36 -10.469 1.549 4.614 1.00 0.00 H new ATOM 0 HA ILE A 36 -10.885 4.399 4.644 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.732 3.919 2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -11.108 1.049 3.066 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -12.719 1.712 2.875 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.568 3.137 1.446 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.344 4.311 2.764 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.120 2.572 3.073 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -12.059 0.432 0.915 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -12.271 2.149 0.497 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -10.635 1.475 0.692 1.00 0.00 H new ATOM 569 N GLU A 37 -13.238 2.600 5.585 1.00 0.00 N ATOM 570 CA GLU A 37 -14.644 2.538 5.852 1.00 0.00 C ATOM 571 C GLU A 37 -14.988 3.494 6.979 1.00 0.00 C ATOM 572 O GLU A 37 -16.031 4.157 6.963 1.00 0.00 O ATOM 573 CB GLU A 37 -15.059 1.102 6.126 1.00 0.00 C ATOM 574 CG GLU A 37 -16.547 0.872 6.170 1.00 0.00 C ATOM 575 CD GLU A 37 -16.875 -0.579 5.998 1.00 0.00 C ATOM 576 OE1 GLU A 37 -16.860 -1.339 7.000 1.00 0.00 O ATOM 577 OE2 GLU A 37 -17.143 -0.997 4.852 1.00 0.00 O ATOM 0 H GLU A 37 -12.663 1.928 6.093 1.00 0.00 H new ATOM 0 HA GLU A 37 -15.214 2.859 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -14.629 0.461 5.356 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -14.629 0.790 7.078 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -16.945 1.227 7.121 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -17.031 1.453 5.385 1.00 0.00 H new ATOM 584 N HIS A 38 -14.097 3.585 7.930 1.00 0.00 N ATOM 585 CA HIS A 38 -14.214 4.544 9.004 1.00 0.00 C ATOM 586 C HIS A 38 -13.797 5.943 8.510 1.00 0.00 C ATOM 587 O HIS A 38 -14.363 6.964 8.932 1.00 0.00 O ATOM 588 CB HIS A 38 -13.355 4.098 10.205 1.00 0.00 C ATOM 589 CG HIS A 38 -13.348 5.059 11.357 1.00 0.00 C ATOM 590 ND1 HIS A 38 -12.208 5.643 11.867 1.00 0.00 N ATOM 591 CD2 HIS A 38 -14.375 5.542 12.093 1.00 0.00 C ATOM 592 CE1 HIS A 38 -12.565 6.444 12.868 1.00 0.00 C ATOM 593 NE2 HIS A 38 -13.877 6.421 13.046 1.00 0.00 N ATOM 0 H HIS A 38 -13.266 2.996 7.985 1.00 0.00 H new ATOM 0 HA HIS A 38 -15.253 4.596 9.330 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -13.718 3.132 10.556 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.330 3.949 9.867 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.416 5.285 11.961 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -11.877 7.034 13.456 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.412 6.942 13.741 1.00 0.00 H new ATOM 601 N ASN A 39 -12.836 5.976 7.603 1.00 0.00 N ATOM 602 CA ASN A 39 -12.311 7.239 7.077 1.00 0.00 C ATOM 603 C ASN A 39 -12.844 7.514 5.702 1.00 0.00 C ATOM 604 O ASN A 39 -12.363 6.928 4.721 1.00 0.00 O ATOM 605 CB ASN A 39 -10.780 7.229 6.979 1.00 0.00 C ATOM 606 CG ASN A 39 -10.082 7.070 8.291 1.00 0.00 C ATOM 607 OD1 ASN A 39 -9.820 8.041 8.993 1.00 0.00 O ATOM 608 ND2 ASN A 39 -9.721 5.869 8.611 1.00 0.00 N ATOM 0 H ASN A 39 -12.398 5.143 7.210 1.00 0.00 H new ATOM 0 HA ASN A 39 -12.631 8.011 7.777 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.475 6.418 6.318 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.451 8.159 6.516 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.200 5.706 9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.957 5.086 8.002 1.00 0.00 H new ATOM 615 N ARG A 40 -13.811 8.407 5.592 1.00 0.00 N ATOM 616 CA ARG A 40 -14.350 8.728 4.286 1.00 0.00 C ATOM 617 C ARG A 40 -13.307 9.405 3.402 1.00 0.00 C ATOM 618 O ARG A 40 -13.250 9.133 2.217 1.00 0.00 O ATOM 619 CB ARG A 40 -15.633 9.568 4.324 1.00 0.00 C ATOM 620 CG ARG A 40 -16.124 9.861 2.912 1.00 0.00 C ATOM 621 CD ARG A 40 -17.366 10.697 2.844 1.00 0.00 C ATOM 622 NE ARG A 40 -17.677 10.989 1.442 1.00 0.00 N ATOM 623 CZ ARG A 40 -18.888 11.086 0.906 1.00 0.00 C ATOM 624 NH1 ARG A 40 -19.980 10.975 1.656 1.00 0.00 N ATOM 625 NH2 ARG A 40 -18.988 11.304 -0.388 1.00 0.00 N ATOM 0 H ARG A 40 -14.231 8.912 6.373 1.00 0.00 H new ATOM 0 HA ARG A 40 -14.624 7.766 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.405 9.037 4.881 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -15.446 10.503 4.851 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -15.330 10.368 2.363 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.310 8.915 2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.198 10.171 3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -17.224 11.625 3.398 1.00 0.00 H new ATOM 0 HE ARG A 40 -16.885 11.132 0.816 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -19.895 10.813 2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -20.903 11.052 1.228 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -18.146 11.395 -0.956 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.908 11.382 -0.822 1.00 0.00 H new ATOM 639 N ALA A 41 -12.453 10.248 3.985 1.00 0.00 N ATOM 640 CA ALA A 41 -11.430 10.949 3.199 1.00 0.00 C ATOM 641 C ALA A 41 -10.474 9.966 2.547 1.00 0.00 C ATOM 642 O ALA A 41 -9.972 10.203 1.452 1.00 0.00 O ATOM 643 CB ALA A 41 -10.663 11.949 4.043 1.00 0.00 C ATOM 0 H ALA A 41 -12.446 10.461 4.982 1.00 0.00 H new ATOM 0 HA ALA A 41 -11.949 11.500 2.415 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.915 12.448 3.426 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -11.353 12.690 4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.169 11.429 4.864 1.00 0.00 H new ATOM 649 N ALA A 42 -10.241 8.852 3.210 1.00 0.00 N ATOM 650 CA ALA A 42 -9.390 7.835 2.657 1.00 0.00 C ATOM 651 C ALA A 42 -10.131 7.071 1.562 1.00 0.00 C ATOM 652 O ALA A 42 -9.571 6.799 0.512 1.00 0.00 O ATOM 653 CB ALA A 42 -8.869 6.895 3.736 1.00 0.00 C ATOM 0 H ALA A 42 -10.630 8.634 4.128 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.521 8.319 2.212 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.229 6.139 3.282 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.295 7.464 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.709 6.409 4.232 1.00 0.00 H new ATOM 659 N ALA A 43 -11.416 6.778 1.808 1.00 0.00 N ATOM 660 CA ALA A 43 -12.274 6.055 0.853 1.00 0.00 C ATOM 661 C ALA A 43 -12.491 6.860 -0.415 1.00 0.00 C ATOM 662 O ALA A 43 -12.388 6.336 -1.532 1.00 0.00 O ATOM 663 CB ALA A 43 -13.617 5.741 1.484 1.00 0.00 C ATOM 0 H ALA A 43 -11.891 7.034 2.673 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.765 5.127 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.240 5.207 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.468 5.121 2.368 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.110 6.670 1.772 1.00 0.00 H new ATOM 669 N GLU A 44 -12.762 8.141 -0.226 1.00 0.00 N ATOM 670 CA GLU A 44 -13.026 9.070 -1.304 1.00 0.00 C ATOM 671 C GLU A 44 -11.800 9.118 -2.225 1.00 0.00 C ATOM 672 O GLU A 44 -11.912 9.149 -3.465 1.00 0.00 O ATOM 673 CB GLU A 44 -13.307 10.466 -0.715 1.00 0.00 C ATOM 674 CG GLU A 44 -14.069 11.405 -1.636 1.00 0.00 C ATOM 675 CD GLU A 44 -15.494 10.942 -1.875 1.00 0.00 C ATOM 676 OE1 GLU A 44 -15.710 10.042 -2.717 1.00 0.00 O ATOM 677 OE2 GLU A 44 -16.426 11.476 -1.245 1.00 0.00 O ATOM 0 H GLU A 44 -12.805 8.569 0.699 1.00 0.00 H new ATOM 0 HA GLU A 44 -13.896 8.749 -1.877 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.873 10.348 0.209 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.357 10.931 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -14.082 12.405 -1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -13.547 11.478 -2.590 1.00 0.00 H new ATOM 684 N PHE A 45 -10.651 9.059 -1.597 1.00 0.00 N ATOM 685 CA PHE A 45 -9.378 9.070 -2.259 1.00 0.00 C ATOM 686 C PHE A 45 -9.132 7.748 -3.019 1.00 0.00 C ATOM 687 O PHE A 45 -9.027 7.743 -4.252 1.00 0.00 O ATOM 688 CB PHE A 45 -8.288 9.317 -1.210 1.00 0.00 C ATOM 689 CG PHE A 45 -6.897 9.306 -1.742 1.00 0.00 C ATOM 690 CD1 PHE A 45 -6.415 10.374 -2.477 1.00 0.00 C ATOM 691 CD2 PHE A 45 -6.069 8.221 -1.511 1.00 0.00 C ATOM 692 CE1 PHE A 45 -5.130 10.364 -2.973 1.00 0.00 C ATOM 693 CE2 PHE A 45 -4.785 8.210 -2.007 1.00 0.00 C ATOM 694 CZ PHE A 45 -4.314 9.283 -2.738 1.00 0.00 C ATOM 0 H PHE A 45 -10.578 9.000 -0.581 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.359 9.868 -3.001 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -8.473 10.280 -0.734 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.371 8.557 -0.434 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.053 11.225 -2.664 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.432 7.380 -0.939 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.764 11.204 -3.545 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.144 7.360 -1.824 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.306 9.273 -3.125 1.00 0.00 H new ATOM 704 N VAL A 46 -9.097 6.634 -2.279 1.00 0.00 N ATOM 705 CA VAL A 46 -8.794 5.301 -2.841 1.00 0.00 C ATOM 706 C VAL A 46 -9.751 4.900 -3.967 1.00 0.00 C ATOM 707 O VAL A 46 -9.328 4.307 -4.958 1.00 0.00 O ATOM 708 CB VAL A 46 -8.724 4.195 -1.733 1.00 0.00 C ATOM 709 CG1 VAL A 46 -9.974 4.129 -0.965 1.00 0.00 C ATOM 710 CG2 VAL A 46 -8.465 2.841 -2.297 1.00 0.00 C ATOM 0 H VAL A 46 -9.277 6.625 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 46 -7.802 5.384 -3.285 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.894 4.480 -1.086 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.893 3.352 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.157 5.090 -0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -10.801 3.896 -1.636 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.426 2.111 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.266 2.575 -2.987 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.514 2.844 -2.829 1.00 0.00 H new ATOM 720 N GLY A 47 -11.009 5.283 -3.846 1.00 0.00 N ATOM 721 CA GLY A 47 -11.975 4.942 -4.861 1.00 0.00 C ATOM 722 C GLY A 47 -11.686 5.601 -6.192 1.00 0.00 C ATOM 723 O GLY A 47 -11.983 5.045 -7.242 1.00 0.00 O ATOM 0 H GLY A 47 -11.378 5.823 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.990 3.860 -4.992 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.969 5.236 -4.523 1.00 0.00 H new ATOM 727 N SER A 48 -11.046 6.744 -6.141 1.00 0.00 N ATOM 728 CA SER A 48 -10.755 7.510 -7.329 1.00 0.00 C ATOM 729 C SER A 48 -9.475 7.004 -8.017 1.00 0.00 C ATOM 730 O SER A 48 -9.306 7.146 -9.234 1.00 0.00 O ATOM 731 CB SER A 48 -10.614 8.974 -6.942 1.00 0.00 C ATOM 732 OG SER A 48 -11.762 9.414 -6.198 1.00 0.00 O ATOM 0 H SER A 48 -10.712 7.169 -5.276 1.00 0.00 H new ATOM 0 HA SER A 48 -11.572 7.394 -8.041 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.712 9.113 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 48 -10.500 9.583 -7.839 1.00 0.00 H new ATOM 0 HG SER A 48 -11.624 9.232 -5.245 1.00 0.00 H new ATOM 738 N VAL A 49 -8.599 6.399 -7.239 1.00 0.00 N ATOM 739 CA VAL A 49 -7.320 5.902 -7.744 1.00 0.00 C ATOM 740 C VAL A 49 -7.368 4.389 -7.917 1.00 0.00 C ATOM 741 O VAL A 49 -6.342 3.715 -8.115 1.00 0.00 O ATOM 742 CB VAL A 49 -6.148 6.283 -6.800 1.00 0.00 C ATOM 743 CG1 VAL A 49 -6.009 7.783 -6.724 1.00 0.00 C ATOM 744 CG2 VAL A 49 -6.369 5.730 -5.408 1.00 0.00 C ATOM 0 H VAL A 49 -8.746 6.235 -6.243 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.146 6.372 -8.712 1.00 0.00 H new ATOM 0 HB VAL A 49 -5.235 5.850 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.184 8.039 -6.059 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.810 8.181 -7.719 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.933 8.215 -6.339 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.533 6.012 -4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.294 6.136 -4.998 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.440 4.643 -5.455 1.00 0.00 H new ATOM 754 N ASN A 50 -8.555 3.866 -7.857 1.00 0.00 N ATOM 755 CA ASN A 50 -8.759 2.451 -7.974 1.00 0.00 C ATOM 756 C ASN A 50 -8.870 2.064 -9.430 1.00 0.00 C ATOM 757 O ASN A 50 -9.048 2.934 -10.294 1.00 0.00 O ATOM 758 CB ASN A 50 -10.027 2.019 -7.241 1.00 0.00 C ATOM 759 CG ASN A 50 -9.763 1.006 -6.157 1.00 0.00 C ATOM 760 OD1 ASN A 50 -10.557 0.114 -5.922 1.00 0.00 O ATOM 761 ND2 ASN A 50 -8.699 1.158 -5.453 1.00 0.00 N ATOM 0 H ASN A 50 -9.410 4.406 -7.726 1.00 0.00 H new ATOM 0 HA ASN A 50 -7.904 1.949 -7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -10.504 2.896 -6.803 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -10.731 1.599 -7.960 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -8.505 0.524 -4.678 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.048 1.913 -5.669 1.00 0.00 H new ATOM 768 N GLY A 51 -8.770 0.783 -9.703 1.00 0.00 N ATOM 769 CA GLY A 51 -8.898 0.287 -11.051 1.00 0.00 C ATOM 770 C GLY A 51 -10.351 0.150 -11.429 1.00 0.00 C ATOM 771 O GLY A 51 -10.953 -0.906 -11.228 1.00 0.00 O ATOM 0 H GLY A 51 -8.599 0.062 -9.002 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.399 0.965 -11.743 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.401 -0.679 -11.138 1.00 0.00 H new ATOM 775 N GLY A 52 -10.915 1.224 -11.927 1.00 0.00 N ATOM 776 CA GLY A 52 -12.304 1.244 -12.297 1.00 0.00 C ATOM 777 C GLY A 52 -13.187 1.476 -11.096 1.00 0.00 C ATOM 778 O GLY A 52 -13.364 2.619 -10.646 1.00 0.00 O ATOM 0 H GLY A 52 -10.424 2.104 -12.086 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.475 2.029 -13.034 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.570 0.299 -12.770 1.00 0.00 H new ATOM 782 N ASN A 53 -13.711 0.406 -10.561 1.00 0.00 N ATOM 783 CA ASN A 53 -14.571 0.450 -9.397 1.00 0.00 C ATOM 784 C ASN A 53 -13.726 0.425 -8.137 1.00 0.00 C ATOM 785 O ASN A 53 -12.628 -0.131 -8.135 1.00 0.00 O ATOM 786 CB ASN A 53 -15.508 -0.772 -9.390 1.00 0.00 C ATOM 787 CG ASN A 53 -16.484 -0.794 -8.218 1.00 0.00 C ATOM 788 OD1 ASN A 53 -16.933 0.243 -7.731 1.00 0.00 O ATOM 789 ND2 ASN A 53 -16.806 -1.967 -7.761 1.00 0.00 N ATOM 0 H ASN A 53 -13.554 -0.535 -10.922 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.162 1.365 -9.431 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -16.073 -0.790 -10.322 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.905 -1.680 -9.366 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -17.450 -2.049 -6.974 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.415 -2.806 -8.189 1.00 0.00 H new ATOM 796 N ARG A 54 -14.219 1.043 -7.089 1.00 0.00 N ATOM 797 CA ARG A 54 -13.588 0.981 -5.789 1.00 0.00 C ATOM 798 C ARG A 54 -13.813 -0.411 -5.194 1.00 0.00 C ATOM 799 O ARG A 54 -14.918 -0.751 -4.753 1.00 0.00 O ATOM 800 CB ARG A 54 -14.043 2.140 -4.835 1.00 0.00 C ATOM 801 CG ARG A 54 -15.540 2.240 -4.433 1.00 0.00 C ATOM 802 CD ARG A 54 -16.479 2.482 -5.617 1.00 0.00 C ATOM 803 NE ARG A 54 -16.029 3.598 -6.480 1.00 0.00 N ATOM 804 CZ ARG A 54 -16.458 3.852 -7.739 1.00 0.00 C ATOM 805 NH1 ARG A 54 -17.311 3.022 -8.344 1.00 0.00 N ATOM 806 NH2 ARG A 54 -15.998 4.922 -8.395 1.00 0.00 N ATOM 0 H ARG A 54 -15.070 1.604 -7.113 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.516 1.138 -5.909 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.460 2.059 -3.917 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.765 3.083 -5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.834 1.319 -3.929 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.661 3.050 -3.713 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -16.549 1.572 -6.213 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -17.481 2.697 -5.244 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.332 4.233 -6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.644 2.190 -7.858 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -17.629 3.220 -9.292 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.326 5.545 -7.947 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.319 5.116 -9.343 1.00 0.00 H new ATOM 820 N THR A 55 -12.782 -1.223 -5.262 1.00 0.00 N ATOM 821 CA THR A 55 -12.871 -2.613 -4.892 1.00 0.00 C ATOM 822 C THR A 55 -11.480 -3.212 -4.531 1.00 0.00 C ATOM 823 O THR A 55 -11.397 -4.362 -4.070 1.00 0.00 O ATOM 824 CB THR A 55 -13.472 -3.399 -6.102 1.00 0.00 C ATOM 825 OG1 THR A 55 -13.660 -4.796 -5.789 1.00 0.00 O ATOM 826 CG2 THR A 55 -12.566 -3.260 -7.329 1.00 0.00 C ATOM 0 H THR A 55 -11.856 -0.934 -5.577 1.00 0.00 H new ATOM 0 HA THR A 55 -13.503 -2.698 -4.008 1.00 0.00 H new ATOM 0 HB THR A 55 -14.449 -2.967 -6.321 1.00 0.00 H new ATOM 0 HG1 THR A 55 -13.047 -5.055 -5.070 1.00 0.00 H new ATOM 0 HG21 THR A 55 -12.997 -3.812 -8.164 1.00 0.00 H new ATOM 0 HG22 THR A 55 -12.477 -2.207 -7.598 1.00 0.00 H new ATOM 0 HG23 THR A 55 -11.579 -3.661 -7.100 1.00 0.00 H new ATOM 834 N VAL A 56 -10.409 -2.468 -4.757 1.00 0.00 N ATOM 835 CA VAL A 56 -9.074 -2.992 -4.518 1.00 0.00 C ATOM 836 C VAL A 56 -8.236 -2.098 -3.611 1.00 0.00 C ATOM 837 O VAL A 56 -8.353 -0.868 -3.651 1.00 0.00 O ATOM 838 CB VAL A 56 -8.277 -3.294 -5.833 1.00 0.00 C ATOM 839 CG1 VAL A 56 -8.782 -4.548 -6.510 1.00 0.00 C ATOM 840 CG2 VAL A 56 -8.344 -2.133 -6.805 1.00 0.00 C ATOM 0 H VAL A 56 -10.437 -1.509 -5.102 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.250 -3.938 -4.006 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.238 -3.445 -5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.207 -4.728 -7.419 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -8.669 -5.397 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.835 -4.425 -6.765 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -7.780 -2.379 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -9.384 -1.940 -7.070 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -7.917 -1.244 -6.340 1.00 0.00 H new ATOM 850 N PRO A 57 -7.389 -2.717 -2.768 1.00 0.00 N ATOM 851 CA PRO A 57 -6.469 -2.001 -1.886 1.00 0.00 C ATOM 852 C PRO A 57 -5.513 -1.104 -2.681 1.00 0.00 C ATOM 853 O PRO A 57 -5.051 -1.470 -3.771 1.00 0.00 O ATOM 854 CB PRO A 57 -5.675 -3.132 -1.192 1.00 0.00 C ATOM 855 CG PRO A 57 -5.910 -4.338 -2.030 1.00 0.00 C ATOM 856 CD PRO A 57 -7.283 -4.172 -2.591 1.00 0.00 C ATOM 0 HA PRO A 57 -6.993 -1.344 -1.191 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -4.613 -2.892 -1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -6.021 -3.288 -0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.168 -4.414 -2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.836 -5.249 -1.436 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.401 -4.704 -3.535 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.046 -4.554 -1.912 1.00 0.00 H new ATOM 864 N THR A 58 -5.254 0.065 -2.169 1.00 0.00 N ATOM 865 CA THR A 58 -4.346 0.988 -2.801 1.00 0.00 C ATOM 866 C THR A 58 -3.327 1.447 -1.769 1.00 0.00 C ATOM 867 O THR A 58 -3.679 1.659 -0.604 1.00 0.00 O ATOM 868 CB THR A 58 -5.121 2.198 -3.357 1.00 0.00 C ATOM 869 OG1 THR A 58 -6.200 1.699 -4.149 1.00 0.00 O ATOM 870 CG2 THR A 58 -4.250 3.053 -4.260 1.00 0.00 C ATOM 0 H THR A 58 -5.665 0.408 -1.301 1.00 0.00 H new ATOM 0 HA THR A 58 -3.837 0.498 -3.631 1.00 0.00 H new ATOM 0 HB THR A 58 -5.463 2.806 -2.519 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.108 2.024 -5.069 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.831 3.897 -4.633 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.394 3.423 -3.696 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.899 2.454 -5.100 1.00 0.00 H new ATOM 878 N VAL A 59 -2.087 1.548 -2.163 1.00 0.00 N ATOM 879 CA VAL A 59 -1.054 1.983 -1.255 1.00 0.00 C ATOM 880 C VAL A 59 -0.691 3.424 -1.523 1.00 0.00 C ATOM 881 O VAL A 59 -0.560 3.831 -2.677 1.00 0.00 O ATOM 882 CB VAL A 59 0.233 1.105 -1.343 1.00 0.00 C ATOM 883 CG1 VAL A 59 -0.053 -0.309 -0.932 1.00 0.00 C ATOM 884 CG2 VAL A 59 0.812 1.111 -2.739 1.00 0.00 C ATOM 0 H VAL A 59 -1.764 1.335 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.461 1.878 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 59 0.962 1.539 -0.659 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.860 -0.900 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.416 -0.323 0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.811 -0.733 -1.590 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.707 0.490 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.076 0.716 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.071 2.132 -3.021 1.00 0.00 H new ATOM 894 N LYS A 60 -0.596 4.200 -0.483 1.00 0.00 N ATOM 895 CA LYS A 60 -0.128 5.551 -0.607 1.00 0.00 C ATOM 896 C LYS A 60 1.219 5.615 0.049 1.00 0.00 C ATOM 897 O LYS A 60 1.321 5.429 1.264 1.00 0.00 O ATOM 898 CB LYS A 60 -1.068 6.566 0.062 1.00 0.00 C ATOM 899 CG LYS A 60 -0.726 8.011 -0.291 1.00 0.00 C ATOM 900 CD LYS A 60 -1.651 9.041 0.371 1.00 0.00 C ATOM 901 CE LYS A 60 -1.317 9.320 1.846 1.00 0.00 C ATOM 902 NZ LYS A 60 -1.562 8.192 2.764 1.00 0.00 N ATOM 0 H LYS A 60 -0.838 3.919 0.467 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.084 5.813 -1.664 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.095 6.357 -0.239 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -1.021 6.440 1.144 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.303 8.215 0.006 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.775 8.133 -1.373 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -1.596 9.976 -0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -2.680 8.688 0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.268 9.606 1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.904 10.175 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -1.641 8.548 3.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -2.446 7.713 2.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -0.772 7.518 2.705 1.00 0.00 H new ATOM 916 N PHE A 61 2.230 5.828 -0.729 1.00 0.00 N ATOM 917 CA PHE A 61 3.571 5.895 -0.221 1.00 0.00 C ATOM 918 C PHE A 61 3.811 7.246 0.407 1.00 0.00 C ATOM 919 O PHE A 61 3.105 8.224 0.095 1.00 0.00 O ATOM 920 CB PHE A 61 4.593 5.654 -1.323 1.00 0.00 C ATOM 921 CG PHE A 61 4.507 4.326 -2.017 1.00 0.00 C ATOM 922 CD1 PHE A 61 3.675 4.167 -3.100 1.00 0.00 C ATOM 923 CD2 PHE A 61 5.273 3.243 -1.596 1.00 0.00 C ATOM 924 CE1 PHE A 61 3.595 2.969 -3.755 1.00 0.00 C ATOM 925 CE2 PHE A 61 5.197 2.035 -2.255 1.00 0.00 C ATOM 926 CZ PHE A 61 4.354 1.899 -3.336 1.00 0.00 C ATOM 0 H PHE A 61 2.154 5.961 -1.737 1.00 0.00 H new ATOM 0 HA PHE A 61 3.688 5.113 0.529 1.00 0.00 H new ATOM 0 HB2 PHE A 61 4.485 6.440 -2.070 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.591 5.755 -0.895 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.076 5.000 -3.438 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.932 3.350 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 61 2.935 2.862 -4.603 1.00 0.00 H new ATOM 0 HE2 PHE A 61 5.796 1.199 -1.925 1.00 0.00 H new ATOM 0 HZ PHE A 61 4.288 0.954 -3.855 1.00 0.00 H new ATOM 936 N ALA A 62 4.813 7.315 1.259 1.00 0.00 N ATOM 937 CA ALA A 62 5.170 8.535 1.969 1.00 0.00 C ATOM 938 C ALA A 62 5.623 9.662 1.026 1.00 0.00 C ATOM 939 O ALA A 62 5.693 10.817 1.430 1.00 0.00 O ATOM 940 CB ALA A 62 6.240 8.241 3.001 1.00 0.00 C ATOM 0 H ALA A 62 5.411 6.520 1.483 1.00 0.00 H new ATOM 0 HA ALA A 62 4.270 8.891 2.469 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.500 9.160 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.865 7.508 3.715 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.125 7.844 2.504 1.00 0.00 H new ATOM 946 N ASP A 63 5.909 9.330 -0.224 1.00 0.00 N ATOM 947 CA ASP A 63 6.337 10.330 -1.201 1.00 0.00 C ATOM 948 C ASP A 63 5.120 10.988 -1.846 1.00 0.00 C ATOM 949 O ASP A 63 5.240 12.003 -2.518 1.00 0.00 O ATOM 950 CB ASP A 63 7.257 9.723 -2.289 1.00 0.00 C ATOM 951 CG ASP A 63 6.545 8.798 -3.265 1.00 0.00 C ATOM 952 OD1 ASP A 63 5.604 8.095 -2.869 1.00 0.00 O ATOM 953 OD2 ASP A 63 6.929 8.756 -4.460 1.00 0.00 O ATOM 0 H ASP A 63 5.854 8.379 -0.589 1.00 0.00 H new ATOM 0 HA ASP A 63 6.916 11.083 -0.667 1.00 0.00 H new ATOM 0 HB2 ASP A 63 7.722 10.534 -2.849 1.00 0.00 H new ATOM 0 HB3 ASP A 63 8.060 9.170 -1.802 1.00 0.00 H new ATOM 958 N GLY A 64 3.954 10.402 -1.632 1.00 0.00 N ATOM 959 CA GLY A 64 2.733 10.969 -2.152 1.00 0.00 C ATOM 960 C GLY A 64 2.225 10.264 -3.392 1.00 0.00 C ATOM 961 O GLY A 64 1.381 10.797 -4.115 1.00 0.00 O ATOM 0 H GLY A 64 3.833 9.538 -1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 64 1.965 10.930 -1.380 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.899 12.021 -2.383 1.00 0.00 H new ATOM 965 N SER A 65 2.725 9.085 -3.657 1.00 0.00 N ATOM 966 CA SER A 65 2.275 8.344 -4.815 1.00 0.00 C ATOM 967 C SER A 65 1.358 7.194 -4.397 1.00 0.00 C ATOM 968 O SER A 65 1.403 6.743 -3.242 1.00 0.00 O ATOM 969 CB SER A 65 3.475 7.819 -5.594 1.00 0.00 C ATOM 970 OG SER A 65 4.289 6.986 -4.775 1.00 0.00 O ATOM 0 H SER A 65 3.437 8.618 -3.095 1.00 0.00 H new ATOM 0 HA SER A 65 1.704 9.013 -5.459 1.00 0.00 H new ATOM 0 HB2 SER A 65 3.132 7.257 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.065 8.656 -5.968 1.00 0.00 H new ATOM 0 HG SER A 65 4.657 7.513 -4.036 1.00 0.00 H new ATOM 976 N THR A 66 0.523 6.739 -5.307 1.00 0.00 N ATOM 977 CA THR A 66 -0.329 5.609 -5.058 1.00 0.00 C ATOM 978 C THR A 66 -0.177 4.583 -6.148 1.00 0.00 C ATOM 979 O THR A 66 0.023 4.931 -7.313 1.00 0.00 O ATOM 980 CB THR A 66 -1.822 5.996 -4.960 1.00 0.00 C ATOM 981 OG1 THR A 66 -2.167 6.939 -5.976 1.00 0.00 O ATOM 982 CG2 THR A 66 -2.193 6.520 -3.597 1.00 0.00 C ATOM 0 H THR A 66 0.420 7.145 -6.237 1.00 0.00 H new ATOM 0 HA THR A 66 -0.016 5.200 -4.097 1.00 0.00 H new ATOM 0 HB THR A 66 -2.398 5.084 -5.117 1.00 0.00 H new ATOM 0 HG1 THR A 66 -3.116 7.170 -5.899 1.00 0.00 H new ATOM 0 HG21 THR A 66 -3.252 6.777 -3.582 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.995 5.755 -2.847 1.00 0.00 H new ATOM 0 HG23 THR A 66 -1.601 7.408 -3.375 1.00 0.00 H new ATOM 990 N LEU A 67 -0.234 3.346 -5.779 1.00 0.00 N ATOM 991 CA LEU A 67 -0.269 2.273 -6.730 1.00 0.00 C ATOM 992 C LEU A 67 -1.433 1.393 -6.376 1.00 0.00 C ATOM 993 O LEU A 67 -1.601 1.019 -5.199 1.00 0.00 O ATOM 994 CB LEU A 67 1.037 1.437 -6.769 1.00 0.00 C ATOM 995 CG LEU A 67 2.327 2.125 -7.244 1.00 0.00 C ATOM 996 CD1 LEU A 67 3.486 1.134 -7.221 1.00 0.00 C ATOM 997 CD2 LEU A 67 2.161 2.682 -8.649 1.00 0.00 C ATOM 0 H LEU A 67 -0.258 3.044 -4.805 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.373 2.703 -7.726 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.216 1.052 -5.765 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.862 0.576 -7.414 1.00 0.00 H new ATOM 0 HG LEU A 67 2.540 2.951 -6.566 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.396 1.630 -7.559 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.630 0.766 -6.205 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.262 0.297 -7.882 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.088 3.164 -8.961 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.924 1.870 -9.337 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.352 3.412 -8.658 1.00 0.00 H new ATOM 1009 N THR A 68 -2.273 1.136 -7.344 1.00 0.00 N ATOM 1010 CA THR A 68 -3.391 0.254 -7.181 1.00 0.00 C ATOM 1011 C THR A 68 -2.828 -1.167 -6.965 1.00 0.00 C ATOM 1012 O THR A 68 -1.792 -1.486 -7.563 1.00 0.00 O ATOM 1013 CB THR A 68 -4.246 0.316 -8.462 1.00 0.00 C ATOM 1014 OG1 THR A 68 -4.395 1.709 -8.858 1.00 0.00 O ATOM 1015 CG2 THR A 68 -5.624 -0.272 -8.224 1.00 0.00 C ATOM 0 H THR A 68 -2.196 1.540 -8.278 1.00 0.00 H new ATOM 0 HA THR A 68 -4.014 0.534 -6.331 1.00 0.00 H new ATOM 0 HB THR A 68 -3.749 -0.261 -9.242 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.176 2.095 -8.409 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.207 -0.216 -9.143 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.527 -1.314 -7.918 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.129 0.291 -7.439 1.00 0.00 H new ATOM 1023 N ASN A 69 -3.524 -1.984 -6.127 1.00 0.00 N ATOM 1024 CA ASN A 69 -3.094 -3.352 -5.650 1.00 0.00 C ATOM 1025 C ASN A 69 -1.801 -3.900 -6.266 1.00 0.00 C ATOM 1026 O ASN A 69 -1.808 -4.602 -7.286 1.00 0.00 O ATOM 1027 CB ASN A 69 -4.232 -4.415 -5.734 1.00 0.00 C ATOM 1028 CG ASN A 69 -4.834 -4.618 -7.134 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -4.915 -3.694 -7.944 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -5.252 -5.830 -7.426 1.00 0.00 N ATOM 0 H ASN A 69 -4.430 -1.711 -5.746 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.861 -3.170 -4.601 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.842 -5.370 -5.381 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.030 -4.124 -5.051 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.655 -6.023 -8.343 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.173 -6.577 -6.736 1.00 0.00 H new ATOM 1037 N PRO A 70 -0.670 -3.520 -5.672 1.00 0.00 N ATOM 1038 CA PRO A 70 0.638 -3.945 -6.096 1.00 0.00 C ATOM 1039 C PRO A 70 1.136 -5.151 -5.321 1.00 0.00 C ATOM 1040 O PRO A 70 0.648 -5.462 -4.233 1.00 0.00 O ATOM 1041 CB PRO A 70 1.507 -2.719 -5.784 1.00 0.00 C ATOM 1042 CG PRO A 70 0.735 -1.908 -4.773 1.00 0.00 C ATOM 1043 CD PRO A 70 -0.573 -2.605 -4.535 1.00 0.00 C ATOM 0 HA PRO A 70 0.653 -4.255 -7.141 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.476 -3.019 -5.385 1.00 0.00 H new ATOM 0 HB3 PRO A 70 1.699 -2.138 -6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.297 -1.820 -3.843 1.00 0.00 H new ATOM 0 HG3 PRO A 70 0.568 -0.896 -5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.578 -3.140 -3.585 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -1.406 -1.902 -4.510 1.00 0.00 H new ATOM 1051 N SER A 71 2.076 -5.832 -5.887 1.00 0.00 N ATOM 1052 CA SER A 71 2.698 -6.938 -5.244 1.00 0.00 C ATOM 1053 C SER A 71 3.796 -6.422 -4.324 1.00 0.00 C ATOM 1054 O SER A 71 4.176 -5.231 -4.404 1.00 0.00 O ATOM 1055 CB SER A 71 3.262 -7.848 -6.321 1.00 0.00 C ATOM 1056 OG SER A 71 3.964 -7.068 -7.274 1.00 0.00 O ATOM 0 H SER A 71 2.437 -5.633 -6.820 1.00 0.00 H new ATOM 0 HA SER A 71 1.986 -7.500 -4.639 1.00 0.00 H new ATOM 0 HB2 SER A 71 3.929 -8.587 -5.876 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.456 -8.398 -6.807 1.00 0.00 H new ATOM 0 HG SER A 71 4.810 -7.509 -7.499 1.00 0.00 H new ATOM 1062 N ALA A 72 4.317 -7.291 -3.480 1.00 0.00 N ATOM 1063 CA ALA A 72 5.381 -6.933 -2.557 1.00 0.00 C ATOM 1064 C ALA A 72 6.617 -6.449 -3.320 1.00 0.00 C ATOM 1065 O ALA A 72 7.290 -5.497 -2.915 1.00 0.00 O ATOM 1066 CB ALA A 72 5.704 -8.112 -1.656 1.00 0.00 C ATOM 0 H ALA A 72 4.017 -8.264 -3.413 1.00 0.00 H new ATOM 0 HA ALA A 72 5.045 -6.109 -1.927 1.00 0.00 H new ATOM 0 HB1 ALA A 72 6.502 -7.836 -0.967 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.816 -8.391 -1.089 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.026 -8.957 -2.264 1.00 0.00 H new ATOM 1072 N ASP A 73 6.865 -7.068 -4.451 1.00 0.00 N ATOM 1073 CA ASP A 73 7.975 -6.693 -5.322 1.00 0.00 C ATOM 1074 C ASP A 73 7.747 -5.346 -6.025 1.00 0.00 C ATOM 1075 O ASP A 73 8.718 -4.661 -6.387 1.00 0.00 O ATOM 1076 CB ASP A 73 8.302 -7.799 -6.339 1.00 0.00 C ATOM 1077 CG ASP A 73 7.098 -8.293 -7.108 1.00 0.00 C ATOM 1078 OD1 ASP A 73 6.603 -7.596 -8.000 1.00 0.00 O ATOM 1079 OD2 ASP A 73 6.623 -9.408 -6.824 1.00 0.00 O ATOM 0 H ASP A 73 6.308 -7.847 -4.801 1.00 0.00 H new ATOM 0 HA ASP A 73 8.841 -6.569 -4.672 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.044 -7.424 -7.044 1.00 0.00 H new ATOM 0 HB3 ASP A 73 8.757 -8.639 -5.815 1.00 0.00 H new ATOM 1084 N GLU A 74 6.490 -4.950 -6.210 1.00 0.00 N ATOM 1085 CA GLU A 74 6.178 -3.656 -6.827 1.00 0.00 C ATOM 1086 C GLU A 74 6.321 -2.517 -5.835 1.00 0.00 C ATOM 1087 O GLU A 74 6.891 -1.466 -6.160 1.00 0.00 O ATOM 1088 CB GLU A 74 4.778 -3.623 -7.452 1.00 0.00 C ATOM 1089 CG GLU A 74 4.636 -4.410 -8.742 1.00 0.00 C ATOM 1090 CD GLU A 74 5.551 -3.904 -9.827 1.00 0.00 C ATOM 1091 OE1 GLU A 74 5.326 -2.792 -10.352 1.00 0.00 O ATOM 1092 OE2 GLU A 74 6.514 -4.611 -10.189 1.00 0.00 O ATOM 0 H GLU A 74 5.673 -5.500 -5.945 1.00 0.00 H new ATOM 0 HA GLU A 74 6.906 -3.524 -7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.063 -4.010 -6.726 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.506 -2.585 -7.645 1.00 0.00 H new ATOM 0 HG2 GLU A 74 4.852 -5.461 -8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 74 3.603 -4.355 -9.086 1.00 0.00 H new ATOM 1099 N VAL A 75 5.817 -2.716 -4.629 1.00 0.00 N ATOM 1100 CA VAL A 75 5.892 -1.682 -3.602 1.00 0.00 C ATOM 1101 C VAL A 75 7.329 -1.376 -3.182 1.00 0.00 C ATOM 1102 O VAL A 75 7.696 -0.203 -3.046 1.00 0.00 O ATOM 1103 CB VAL A 75 4.988 -1.963 -2.360 1.00 0.00 C ATOM 1104 CG1 VAL A 75 3.539 -1.760 -2.716 1.00 0.00 C ATOM 1105 CG2 VAL A 75 5.150 -3.373 -1.884 1.00 0.00 C ATOM 0 H VAL A 75 5.354 -3.576 -4.335 1.00 0.00 H new ATOM 0 HA VAL A 75 5.489 -0.788 -4.078 1.00 0.00 H new ATOM 0 HB VAL A 75 5.291 -1.272 -1.574 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.918 -1.959 -1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.385 -0.732 -3.044 1.00 0.00 H new ATOM 0 HG13 VAL A 75 3.263 -2.442 -3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.509 -3.541 -1.018 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.870 -4.061 -2.682 1.00 0.00 H new ATOM 0 HG23 VAL A 75 6.189 -3.546 -1.605 1.00 0.00 H new ATOM 1115 N LYS A 76 8.155 -2.423 -3.048 1.00 0.00 N ATOM 1116 CA LYS A 76 9.564 -2.261 -2.663 1.00 0.00 C ATOM 1117 C LYS A 76 10.333 -1.382 -3.639 1.00 0.00 C ATOM 1118 O LYS A 76 11.184 -0.601 -3.227 1.00 0.00 O ATOM 1119 CB LYS A 76 10.272 -3.614 -2.505 1.00 0.00 C ATOM 1120 CG LYS A 76 9.891 -4.383 -1.247 1.00 0.00 C ATOM 1121 CD LYS A 76 10.599 -5.742 -1.165 1.00 0.00 C ATOM 1122 CE LYS A 76 12.128 -5.622 -1.085 1.00 0.00 C ATOM 1123 NZ LYS A 76 12.589 -4.904 0.120 1.00 0.00 N ATOM 0 H LYS A 76 7.872 -3.391 -3.201 1.00 0.00 H new ATOM 0 HA LYS A 76 9.555 -1.760 -1.695 1.00 0.00 H new ATOM 0 HB2 LYS A 76 10.047 -4.231 -3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.349 -3.448 -2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 76 10.144 -3.789 -0.369 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.812 -4.535 -1.228 1.00 0.00 H new ATOM 0 HD2 LYS A 76 10.237 -6.281 -0.290 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.333 -6.337 -2.039 1.00 0.00 H new ATOM 0 HE2 LYS A 76 12.566 -6.620 -1.096 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.493 -5.104 -1.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 13.628 -4.928 0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 12.267 -3.916 0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 12.197 -5.362 0.968 1.00 0.00 H new ATOM 1137 N ALA A 77 9.976 -1.476 -4.916 1.00 0.00 N ATOM 1138 CA ALA A 77 10.641 -0.733 -5.983 1.00 0.00 C ATOM 1139 C ALA A 77 10.566 0.784 -5.767 1.00 0.00 C ATOM 1140 O ALA A 77 11.503 1.513 -6.105 1.00 0.00 O ATOM 1141 CB ALA A 77 10.068 -1.122 -7.333 1.00 0.00 C ATOM 0 H ALA A 77 9.215 -2.072 -5.242 1.00 0.00 H new ATOM 0 HA ALA A 77 11.697 -1.001 -5.961 1.00 0.00 H new ATOM 0 HB1 ALA A 77 10.573 -0.560 -8.118 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.216 -2.189 -7.497 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.002 -0.897 -7.354 1.00 0.00 H new ATOM 1147 N LYS A 78 9.443 1.269 -5.256 1.00 0.00 N ATOM 1148 CA LYS A 78 9.351 2.677 -4.906 1.00 0.00 C ATOM 1149 C LYS A 78 9.878 2.926 -3.507 1.00 0.00 C ATOM 1150 O LYS A 78 10.667 3.845 -3.279 1.00 0.00 O ATOM 1151 CB LYS A 78 7.941 3.246 -5.060 1.00 0.00 C ATOM 1152 CG LYS A 78 7.465 3.278 -6.497 1.00 0.00 C ATOM 1153 CD LYS A 78 6.179 4.077 -6.687 1.00 0.00 C ATOM 1154 CE LYS A 78 6.396 5.613 -6.750 1.00 0.00 C ATOM 1155 NZ LYS A 78 6.864 6.223 -5.476 1.00 0.00 N ATOM 0 H LYS A 78 8.601 0.722 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 78 9.980 3.208 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 78 7.248 2.648 -4.468 1.00 0.00 H new ATOM 0 HB3 LYS A 78 7.918 4.257 -4.654 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.248 3.707 -7.123 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.305 2.257 -6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 78 5.693 3.751 -7.606 1.00 0.00 H new ATOM 0 HD3 LYS A 78 5.497 3.850 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 78 7.123 5.833 -7.532 1.00 0.00 H new ATOM 0 HE3 LYS A 78 5.460 6.088 -7.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.574 7.221 -5.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.445 5.713 -4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 7.901 6.162 -5.422 1.00 0.00 H new ATOM 1169 N LEU A 79 9.469 2.054 -2.593 1.00 0.00 N ATOM 1170 CA LEU A 79 9.763 2.153 -1.162 1.00 0.00 C ATOM 1171 C LEU A 79 11.264 2.301 -0.862 1.00 0.00 C ATOM 1172 O LEU A 79 11.647 3.108 0.004 1.00 0.00 O ATOM 1173 CB LEU A 79 9.166 0.938 -0.440 1.00 0.00 C ATOM 1174 CG LEU A 79 9.409 0.824 1.059 1.00 0.00 C ATOM 1175 CD1 LEU A 79 8.858 2.034 1.802 1.00 0.00 C ATOM 1176 CD2 LEU A 79 8.802 -0.459 1.598 1.00 0.00 C ATOM 0 H LEU A 79 8.908 1.235 -2.830 1.00 0.00 H new ATOM 0 HA LEU A 79 9.301 3.067 -0.789 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.089 0.943 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 79 9.558 0.038 -0.914 1.00 0.00 H new ATOM 0 HG LEU A 79 10.486 0.796 1.224 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.047 1.923 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.348 2.938 1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 79 7.784 2.109 1.630 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.984 -0.525 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.728 -0.460 1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 79 9.257 -1.315 1.099 1.00 0.00 H new ATOM 1188 N VAL A 80 12.093 1.568 -1.597 1.00 0.00 N ATOM 1189 CA VAL A 80 13.554 1.604 -1.425 1.00 0.00 C ATOM 1190 C VAL A 80 14.107 3.040 -1.565 1.00 0.00 C ATOM 1191 O VAL A 80 14.952 3.475 -0.773 1.00 0.00 O ATOM 1192 CB VAL A 80 14.275 0.618 -2.423 1.00 0.00 C ATOM 1193 CG1 VAL A 80 13.976 0.944 -3.882 1.00 0.00 C ATOM 1194 CG2 VAL A 80 15.775 0.578 -2.194 1.00 0.00 C ATOM 0 H VAL A 80 11.779 0.931 -2.329 1.00 0.00 H new ATOM 0 HA VAL A 80 13.769 1.266 -0.411 1.00 0.00 H new ATOM 0 HB VAL A 80 13.867 -0.371 -2.212 1.00 0.00 H new ATOM 0 HG11 VAL A 80 14.496 0.236 -4.527 1.00 0.00 H new ATOM 0 HG12 VAL A 80 12.903 0.874 -4.058 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.315 1.955 -4.106 1.00 0.00 H new ATOM 0 HG21 VAL A 80 16.233 -0.113 -2.902 1.00 0.00 H new ATOM 0 HG22 VAL A 80 16.192 1.575 -2.338 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.979 0.243 -1.177 1.00 0.00 H new ATOM 1204 N LYS A 81 13.550 3.789 -2.506 1.00 0.00 N ATOM 1205 CA LYS A 81 14.002 5.139 -2.795 1.00 0.00 C ATOM 1206 C LYS A 81 13.456 6.125 -1.787 1.00 0.00 C ATOM 1207 O LYS A 81 14.098 7.129 -1.476 1.00 0.00 O ATOM 1208 CB LYS A 81 13.545 5.567 -4.183 1.00 0.00 C ATOM 1209 CG LYS A 81 14.081 4.734 -5.320 1.00 0.00 C ATOM 1210 CD LYS A 81 13.620 5.290 -6.655 1.00 0.00 C ATOM 1211 CE LYS A 81 14.156 4.472 -7.808 1.00 0.00 C ATOM 1212 NZ LYS A 81 15.630 4.466 -7.841 1.00 0.00 N ATOM 0 H LYS A 81 12.773 3.477 -3.089 1.00 0.00 H new ATOM 0 HA LYS A 81 15.091 5.135 -2.744 1.00 0.00 H new ATOM 0 HB2 LYS A 81 12.456 5.538 -4.214 1.00 0.00 H new ATOM 0 HB3 LYS A 81 13.841 6.604 -4.342 1.00 0.00 H new ATOM 0 HG2 LYS A 81 15.170 4.718 -5.284 1.00 0.00 H new ATOM 0 HG3 LYS A 81 13.743 3.703 -5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 81 12.531 5.300 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 81 13.952 6.323 -6.755 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.791 3.448 -7.727 1.00 0.00 H new ATOM 0 HE3 LYS A 81 13.774 4.874 -8.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 15.955 4.104 -8.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 15.984 5.434 -7.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 15.992 3.855 -7.081 1.00 0.00 H new ATOM 1226 N ILE A 82 12.280 5.833 -1.290 1.00 0.00 N ATOM 1227 CA ILE A 82 11.574 6.718 -0.384 1.00 0.00 C ATOM 1228 C ILE A 82 12.188 6.681 1.005 1.00 0.00 C ATOM 1229 O ILE A 82 12.541 7.714 1.567 1.00 0.00 O ATOM 1230 CB ILE A 82 10.080 6.323 -0.286 1.00 0.00 C ATOM 1231 CG1 ILE A 82 9.443 6.313 -1.679 1.00 0.00 C ATOM 1232 CG2 ILE A 82 9.321 7.275 0.648 1.00 0.00 C ATOM 1233 CD1 ILE A 82 8.013 5.866 -1.691 1.00 0.00 C ATOM 0 H ILE A 82 11.779 4.970 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 82 11.658 7.728 -0.785 1.00 0.00 H new ATOM 0 HB ILE A 82 10.017 5.319 0.134 1.00 0.00 H new ATOM 0 HG12 ILE A 82 9.503 7.316 -2.102 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.023 5.658 -2.328 1.00 0.00 H new ATOM 0 HG21 ILE A 82 8.274 6.976 0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 82 9.760 7.233 1.645 1.00 0.00 H new ATOM 0 HG23 ILE A 82 9.389 8.293 0.264 1.00 0.00 H new ATOM 0 HD11 ILE A 82 7.634 5.886 -2.713 1.00 0.00 H new ATOM 0 HD12 ILE A 82 7.946 4.851 -1.299 1.00 0.00 H new ATOM 0 HD13 ILE A 82 7.417 6.535 -1.070 1.00 0.00 H new ATOM 1245 N ALA A 83 12.327 5.495 1.544 1.00 0.00 N ATOM 1246 CA ALA A 83 12.829 5.354 2.890 1.00 0.00 C ATOM 1247 C ALA A 83 14.343 5.439 2.941 1.00 0.00 C ATOM 1248 O ALA A 83 14.909 6.030 3.872 1.00 0.00 O ATOM 1249 CB ALA A 83 12.347 4.059 3.503 1.00 0.00 C ATOM 0 H ALA A 83 12.101 4.618 1.075 1.00 0.00 H new ATOM 0 HA ALA A 83 12.437 6.186 3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.735 3.970 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.257 4.052 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.700 3.219 2.904 1.00 0.00 H new ATOM 1255 N GLY A 84 14.983 4.890 1.938 1.00 0.00 N ATOM 1256 CA GLY A 84 16.419 4.846 1.913 1.00 0.00 C ATOM 1257 C GLY A 84 16.928 3.701 2.660 1.00 0.00 C ATOM 1258 O GLY A 84 17.415 3.793 3.806 1.00 0.00 O ATOM 0 H GLY A 84 14.529 4.468 1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 84 16.765 4.792 0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 84 16.820 5.767 2.336 1.00 0.00 H new ATOM 1262 N LEU A 85 16.820 2.629 2.015 1.00 0.00 N ATOM 1263 CA LEU A 85 17.204 1.397 2.494 1.00 0.00 C ATOM 1264 C LEU A 85 18.006 0.720 1.410 1.00 0.00 C ATOM 1265 O LEU A 85 17.534 0.605 0.303 1.00 0.00 O ATOM 1266 CB LEU A 85 15.954 0.603 2.819 1.00 0.00 C ATOM 1267 CG LEU A 85 16.193 -0.854 3.004 1.00 0.00 C ATOM 1268 CD1 LEU A 85 16.950 -1.155 4.298 1.00 0.00 C ATOM 1269 CD2 LEU A 85 14.930 -1.671 2.865 1.00 0.00 C ATOM 0 H LEU A 85 16.433 2.591 1.072 1.00 0.00 H new ATOM 0 HA LEU A 85 17.810 1.479 3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 85 15.506 1.005 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 85 15.229 0.743 2.018 1.00 0.00 H new ATOM 0 HG LEU A 85 16.843 -1.167 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 85 17.101 -2.231 4.389 1.00 0.00 H new ATOM 0 HD12 LEU A 85 17.917 -0.653 4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 85 16.372 -0.796 5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 85 15.162 -2.726 3.009 1.00 0.00 H new ATOM 0 HD22 LEU A 85 14.206 -1.353 3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 85 14.510 -1.524 1.870 1.00 0.00 H new ATOM 1281 N GLU A 86 19.221 0.329 1.740 1.00 0.00 N ATOM 1282 CA GLU A 86 20.130 -0.354 0.826 1.00 0.00 C ATOM 1283 C GLU A 86 20.501 0.499 -0.383 1.00 0.00 C ATOM 1284 O GLU A 86 19.931 0.373 -1.472 1.00 0.00 O ATOM 1285 CB GLU A 86 19.620 -1.742 0.414 1.00 0.00 C ATOM 1286 CG GLU A 86 19.478 -2.707 1.578 1.00 0.00 C ATOM 1287 CD GLU A 86 20.771 -2.889 2.332 1.00 0.00 C ATOM 1288 OE1 GLU A 86 21.611 -3.716 1.904 1.00 0.00 O ATOM 1289 OE2 GLU A 86 20.967 -2.220 3.379 1.00 0.00 O ATOM 0 H GLU A 86 19.617 0.478 2.668 1.00 0.00 H new ATOM 0 HA GLU A 86 21.051 -0.513 1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 86 18.653 -1.634 -0.077 1.00 0.00 H new ATOM 0 HB3 GLU A 86 20.304 -2.168 -0.319 1.00 0.00 H new ATOM 0 HG2 GLU A 86 18.711 -2.340 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 86 19.138 -3.673 1.206 1.00 0.00 H new ATOM 1296 N HIS A 87 21.446 1.372 -0.176 1.00 0.00 N ATOM 1297 CA HIS A 87 21.909 2.259 -1.222 1.00 0.00 C ATOM 1298 C HIS A 87 23.145 1.623 -1.810 1.00 0.00 C ATOM 1299 O HIS A 87 23.853 0.914 -1.107 1.00 0.00 O ATOM 1300 CB HIS A 87 22.285 3.650 -0.657 1.00 0.00 C ATOM 1301 CG HIS A 87 21.212 4.348 0.143 1.00 0.00 C ATOM 1302 ND1 HIS A 87 20.435 5.392 -0.324 1.00 0.00 N ATOM 1303 CD2 HIS A 87 20.839 4.162 1.434 1.00 0.00 C ATOM 1304 CE1 HIS A 87 19.645 5.794 0.671 1.00 0.00 C ATOM 1305 NE2 HIS A 87 19.852 5.076 1.764 1.00 0.00 N ATOM 0 H HIS A 87 21.921 1.494 0.719 1.00 0.00 H new ATOM 0 HA HIS A 87 21.122 2.403 -1.962 1.00 0.00 H new ATOM 0 HB2 HIS A 87 23.167 3.538 -0.026 1.00 0.00 H new ATOM 0 HB3 HIS A 87 22.568 4.295 -1.489 1.00 0.00 H new ATOM 0 HD2 HIS A 87 21.248 3.417 2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 87 18.930 6.600 0.596 1.00 0.00 H new ATOM 0 HE2 HIS A 87 19.382 5.175 2.664 1.00 0.00 H new ATOM 1313 N HIS A 88 23.412 1.840 -3.058 1.00 0.00 N ATOM 1314 CA HIS A 88 24.589 1.248 -3.649 1.00 0.00 C ATOM 1315 C HIS A 88 25.714 2.253 -3.658 1.00 0.00 C ATOM 1316 O HIS A 88 25.929 2.930 -4.674 1.00 0.00 O ATOM 1317 CB HIS A 88 24.306 0.690 -5.052 1.00 0.00 C ATOM 1318 CG HIS A 88 23.343 -0.466 -5.058 1.00 0.00 C ATOM 1319 ND1 HIS A 88 23.719 -1.781 -4.888 1.00 0.00 N ATOM 1320 CD2 HIS A 88 21.994 -0.484 -5.208 1.00 0.00 C ATOM 1321 CE1 HIS A 88 22.622 -2.540 -4.943 1.00 0.00 C ATOM 1322 NE2 HIS A 88 21.542 -1.802 -5.136 1.00 0.00 N ATOM 0 H HIS A 88 22.847 2.412 -3.686 1.00 0.00 H new ATOM 0 HA HIS A 88 24.892 0.396 -3.040 1.00 0.00 H new ATOM 0 HB2 HIS A 88 23.906 1.488 -5.677 1.00 0.00 H new ATOM 0 HB3 HIS A 88 25.246 0.372 -5.503 1.00 0.00 H new ATOM 0 HD2 HIS A 88 21.370 0.384 -5.359 1.00 0.00 H new ATOM 0 HE1 HIS A 88 22.617 -3.615 -4.843 1.00 0.00 H new ATOM 0 HE2 HIS A 88 20.579 -2.128 -5.216 1.00 0.00 H new TER 1330 HIS A 88