USER MOD reduce.3.24.130724 H: found=0, std=0, add=847, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 844 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 83 ASN : amide:sc= 1.1 K(o=1.4,f=-9.4!) USER MOD Set 1.2: A 101 HIS : no HE2:sc= 0.266 K(o=1.4,f=-4.6!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -0.563 K(o=-0.56,f=-4.2!) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0323) USER MOD Single : A 22 ASN : amide:sc= -0.398 K(o=-0.4,f=-7.3!) USER MOD Single : A 23 TYR OH : rot -66:sc= 0.612 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.0933 X(o=-0.093,f=-0.093) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= -0.056 K(o=-0.056,f=-1.9!) USER MOD Single : A 48 LYS NZ :NH3+ 172:sc= -0.0722 (180deg=-0.17) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 42:sc= 0.488 USER MOD Single : A 57 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0.401 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0641 USER MOD Single : A 76 ASN :FLIP amide:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 77 TYR OH : rot -19:sc= 1.04 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 134:sc= 1.94 USER MOD Single : A 91 SER OG : rot 180:sc= 0.0736 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 THR OG1 : rot 115:sc= 0.753 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.0875 USER MOD Single : A 102 TYR OH : rot -139:sc= 0.87 USER MOD Single : A 104 THR OG1 : rot 32:sc= 0.367 USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.158 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.762 -2.479 11.811 1.00 0.00 N ATOM 2 CA ALA A 1 12.842 -2.066 12.856 1.00 0.00 C ATOM 3 C ALA A 1 11.907 -0.985 12.308 1.00 0.00 C ATOM 4 O ALA A 1 12.084 0.197 12.595 1.00 0.00 O ATOM 5 CB ALA A 1 13.634 -1.588 14.075 1.00 0.00 C ATOM 0 H1 ALA A 1 14.399 -3.214 12.180 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.225 -2.859 11.006 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.322 -1.660 11.498 1.00 0.00 H new ATOM 0 HA ALA A 1 12.225 -2.905 13.177 1.00 0.00 H new ATOM 0 HB1 ALA A 1 12.943 -1.278 14.859 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.260 -2.400 14.443 1.00 0.00 H new ATOM 0 HB3 ALA A 1 14.264 -0.744 13.792 1.00 0.00 H new ATOM 11 N VAL A 2 10.932 -1.431 11.530 1.00 0.00 N ATOM 12 CA VAL A 2 9.984 -0.515 10.919 1.00 0.00 C ATOM 13 C VAL A 2 8.572 -1.090 11.045 1.00 0.00 C ATOM 14 O VAL A 2 8.403 -2.287 11.274 1.00 0.00 O ATOM 15 CB VAL A 2 10.387 -0.232 9.471 1.00 0.00 C ATOM 16 CG1 VAL A 2 11.724 0.510 9.409 1.00 0.00 C ATOM 17 CG2 VAL A 2 10.439 -1.525 8.654 1.00 0.00 C ATOM 0 H VAL A 2 10.778 -2.415 11.309 1.00 0.00 H new ATOM 0 HA VAL A 2 9.992 0.444 11.437 1.00 0.00 H new ATOM 0 HB VAL A 2 9.626 0.412 9.031 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.987 0.699 8.368 1.00 0.00 H new ATOM 0 HG12 VAL A 2 11.639 1.458 9.940 1.00 0.00 H new ATOM 0 HG13 VAL A 2 12.499 -0.098 9.875 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.728 -1.296 7.628 1.00 0.00 H new ATOM 0 HG22 VAL A 2 11.169 -2.204 9.094 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.457 -1.997 8.657 1.00 0.00 H new ATOM 27 N ILE A 3 7.593 -0.211 10.890 1.00 0.00 N ATOM 28 CA ILE A 3 6.201 -0.625 10.931 1.00 0.00 C ATOM 29 C ILE A 3 5.742 -0.997 9.520 1.00 0.00 C ATOM 30 O ILE A 3 5.821 -0.181 8.603 1.00 0.00 O ATOM 31 CB ILE A 3 5.340 0.452 11.594 1.00 0.00 C ATOM 32 CG1 ILE A 3 5.722 0.631 13.065 1.00 0.00 C ATOM 33 CG2 ILE A 3 3.851 0.147 11.421 1.00 0.00 C ATOM 34 CD1 ILE A 3 5.265 1.995 13.588 1.00 0.00 C ATOM 0 H ILE A 3 7.736 0.787 10.736 1.00 0.00 H new ATOM 0 HA ILE A 3 6.087 -1.516 11.549 1.00 0.00 H new ATOM 0 HB ILE A 3 5.534 1.401 11.094 1.00 0.00 H new ATOM 0 HG12 ILE A 3 5.269 -0.161 13.661 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.802 0.537 13.178 1.00 0.00 H new ATOM 0 HG21 ILE A 3 3.261 0.928 11.901 1.00 0.00 H new ATOM 0 HG22 ILE A 3 3.608 0.110 10.359 1.00 0.00 H new ATOM 0 HG23 ILE A 3 3.621 -0.815 11.879 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.549 2.097 14.635 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.738 2.785 13.005 1.00 0.00 H new ATOM 0 HD13 ILE A 3 4.182 2.076 13.496 1.00 0.00 H new ATOM 46 N ASN A 4 5.273 -2.229 9.390 1.00 0.00 N ATOM 47 CA ASN A 4 5.018 -2.799 8.078 1.00 0.00 C ATOM 48 C ASN A 4 4.035 -3.963 8.214 1.00 0.00 C ATOM 49 O ASN A 4 4.192 -4.992 7.559 1.00 0.00 O ATOM 50 CB ASN A 4 6.306 -3.338 7.453 1.00 0.00 C ATOM 51 CG ASN A 4 6.847 -4.526 8.251 1.00 0.00 C ATOM 52 OD1 ASN A 4 6.547 -4.711 9.419 1.00 0.00 O ATOM 53 ND2 ASN A 4 7.659 -5.319 7.558 1.00 0.00 N ATOM 0 H ASN A 4 5.063 -2.849 10.172 1.00 0.00 H new ATOM 0 HA ASN A 4 4.610 -2.013 7.442 1.00 0.00 H new ATOM 0 HB2 ASN A 4 6.115 -3.643 6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 4 7.056 -2.548 7.417 1.00 0.00 H new ATOM 0 HD21 ASN A 4 8.072 -6.139 8.002 1.00 0.00 H new ATOM 0 HD22 ASN A 4 7.869 -5.107 6.583 1.00 0.00 H new ATOM 60 N THR A 5 3.042 -3.760 9.068 1.00 0.00 N ATOM 61 CA THR A 5 1.972 -4.732 9.216 1.00 0.00 C ATOM 62 C THR A 5 0.622 -4.094 8.882 1.00 0.00 C ATOM 63 O THR A 5 0.521 -2.874 8.761 1.00 0.00 O ATOM 64 CB THR A 5 2.042 -5.300 10.635 1.00 0.00 C ATOM 65 OG1 THR A 5 1.951 -4.151 11.473 1.00 0.00 O ATOM 66 CG2 THR A 5 3.414 -5.892 10.962 1.00 0.00 C ATOM 0 H THR A 5 2.956 -2.937 9.664 1.00 0.00 H new ATOM 0 HA THR A 5 2.088 -5.558 8.514 1.00 0.00 H new ATOM 0 HB THR A 5 1.278 -6.067 10.757 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.987 -4.428 12.412 1.00 0.00 H new ATOM 0 HG21 THR A 5 3.409 -6.281 11.980 1.00 0.00 H new ATOM 0 HG22 THR A 5 3.637 -6.701 10.266 1.00 0.00 H new ATOM 0 HG23 THR A 5 4.175 -5.117 10.873 1.00 0.00 H new ATOM 74 N PHE A 6 -0.381 -4.947 8.743 1.00 0.00 N ATOM 75 CA PHE A 6 -1.697 -4.494 8.326 1.00 0.00 C ATOM 76 C PHE A 6 -2.299 -3.537 9.356 1.00 0.00 C ATOM 77 O PHE A 6 -2.780 -2.461 9.004 1.00 0.00 O ATOM 78 CB PHE A 6 -2.586 -5.735 8.220 1.00 0.00 C ATOM 79 CG PHE A 6 -2.216 -6.668 7.065 1.00 0.00 C ATOM 80 CD1 PHE A 6 -2.509 -6.315 5.785 1.00 0.00 C ATOM 81 CD2 PHE A 6 -1.594 -7.851 7.319 1.00 0.00 C ATOM 82 CE1 PHE A 6 -2.166 -7.181 4.713 1.00 0.00 C ATOM 83 CE2 PHE A 6 -1.251 -8.716 6.247 1.00 0.00 C ATOM 84 CZ PHE A 6 -1.544 -8.363 4.967 1.00 0.00 C ATOM 0 H PHE A 6 -0.309 -5.950 8.912 1.00 0.00 H new ATOM 0 HA PHE A 6 -1.624 -3.964 7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 6 -2.529 -6.291 9.156 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -3.622 -5.418 8.100 1.00 0.00 H new ATOM 0 HD1 PHE A 6 -3.003 -5.376 5.584 1.00 0.00 H new ATOM 0 HD2 PHE A 6 -1.361 -8.132 8.336 1.00 0.00 H new ATOM 0 HE1 PHE A 6 -2.399 -6.901 3.696 1.00 0.00 H new ATOM 0 HE2 PHE A 6 -0.757 -9.655 6.448 1.00 0.00 H new ATOM 0 HZ PHE A 6 -1.283 -9.022 4.152 1.00 0.00 H new ATOM 94 N ASP A 7 -2.254 -3.963 10.610 1.00 0.00 N ATOM 95 CA ASP A 7 -2.809 -3.168 11.692 1.00 0.00 C ATOM 96 C ASP A 7 -1.883 -1.984 11.977 1.00 0.00 C ATOM 97 O ASP A 7 -2.347 -0.894 12.307 1.00 0.00 O ATOM 98 CB ASP A 7 -2.932 -3.992 12.975 1.00 0.00 C ATOM 99 CG ASP A 7 -3.800 -5.247 12.857 1.00 0.00 C ATOM 100 OD1 ASP A 7 -4.830 -5.160 12.155 1.00 0.00 O ATOM 101 OD2 ASP A 7 -3.412 -6.264 13.471 1.00 0.00 O ATOM 0 H ASP A 7 -1.841 -4.849 10.901 1.00 0.00 H new ATOM 0 HA ASP A 7 -3.798 -2.828 11.386 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -1.933 -4.288 13.296 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -3.343 -3.356 13.759 1.00 0.00 H new ATOM 106 N GLY A 8 -0.590 -2.239 11.839 1.00 0.00 N ATOM 107 CA GLY A 8 0.411 -1.261 12.230 1.00 0.00 C ATOM 108 C GLY A 8 0.353 -0.026 11.329 1.00 0.00 C ATOM 109 O GLY A 8 0.279 1.100 11.817 1.00 0.00 O ATOM 0 H GLY A 8 -0.213 -3.108 11.462 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.251 -0.967 13.267 1.00 0.00 H new ATOM 0 HA3 GLY A 8 1.403 -1.709 12.175 1.00 0.00 H new ATOM 113 N VAL A 9 0.388 -0.280 10.029 1.00 0.00 N ATOM 114 CA VAL A 9 0.382 0.799 9.055 1.00 0.00 C ATOM 115 C VAL A 9 -0.970 1.513 9.099 1.00 0.00 C ATOM 116 O VAL A 9 -1.032 2.738 9.015 1.00 0.00 O ATOM 117 CB VAL A 9 0.726 0.254 7.668 1.00 0.00 C ATOM 118 CG1 VAL A 9 0.547 1.331 6.596 1.00 0.00 C ATOM 119 CG2 VAL A 9 2.145 -0.318 7.639 1.00 0.00 C ATOM 0 H VAL A 9 0.421 -1.217 9.627 1.00 0.00 H new ATOM 0 HA VAL A 9 1.147 1.537 9.298 1.00 0.00 H new ATOM 0 HB VAL A 9 0.033 -0.558 7.446 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.798 0.917 5.619 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.489 1.671 6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.204 2.173 6.813 1.00 0.00 H new ATOM 0 HG21 VAL A 9 2.364 -0.699 6.641 1.00 0.00 H new ATOM 0 HG22 VAL A 9 2.859 0.466 7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 9 2.225 -1.129 8.362 1.00 0.00 H new ATOM 129 N ALA A 10 -2.020 0.715 9.231 1.00 0.00 N ATOM 130 CA ALA A 10 -3.366 1.257 9.308 1.00 0.00 C ATOM 131 C ALA A 10 -3.428 2.301 10.424 1.00 0.00 C ATOM 132 O ALA A 10 -4.012 3.369 10.249 1.00 0.00 O ATOM 133 CB ALA A 10 -4.364 0.117 9.520 1.00 0.00 C ATOM 0 H ALA A 10 -1.966 -0.302 9.287 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.633 1.755 8.376 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.374 0.523 9.578 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.301 -0.581 8.686 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.129 -0.404 10.448 1.00 0.00 H new ATOM 139 N ASP A 11 -2.817 1.956 11.548 1.00 0.00 N ATOM 140 CA ASP A 11 -2.819 2.838 12.703 1.00 0.00 C ATOM 141 C ASP A 11 -1.987 4.083 12.390 1.00 0.00 C ATOM 142 O ASP A 11 -2.377 5.198 12.734 1.00 0.00 O ATOM 143 CB ASP A 11 -2.202 2.151 13.922 1.00 0.00 C ATOM 144 CG ASP A 11 -3.196 1.763 15.018 1.00 0.00 C ATOM 145 OD1 ASP A 11 -3.729 0.636 14.928 1.00 0.00 O ATOM 146 OD2 ASP A 11 -3.401 2.602 15.922 1.00 0.00 O ATOM 0 H ASP A 11 -2.317 1.077 11.683 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.853 3.102 12.923 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.682 1.253 13.589 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.451 2.813 14.352 1.00 0.00 H new ATOM 151 N TYR A 12 -0.855 3.851 11.741 1.00 0.00 N ATOM 152 CA TYR A 12 0.117 4.910 11.530 1.00 0.00 C ATOM 153 C TYR A 12 -0.442 5.992 10.603 1.00 0.00 C ATOM 154 O TYR A 12 -0.103 7.166 10.739 1.00 0.00 O ATOM 155 CB TYR A 12 1.321 4.250 10.856 1.00 0.00 C ATOM 156 CG TYR A 12 2.599 5.090 10.902 1.00 0.00 C ATOM 157 CD1 TYR A 12 2.797 6.095 9.977 1.00 0.00 C ATOM 158 CD2 TYR A 12 3.553 4.842 11.868 1.00 0.00 C ATOM 159 CE1 TYR A 12 4.000 6.886 10.021 1.00 0.00 C ATOM 160 CE2 TYR A 12 4.756 5.633 11.911 1.00 0.00 C ATOM 161 CZ TYR A 12 4.920 6.616 10.985 1.00 0.00 C ATOM 162 OH TYR A 12 6.056 7.362 11.026 1.00 0.00 O ATOM 0 H TYR A 12 -0.590 2.945 11.354 1.00 0.00 H new ATOM 0 HA TYR A 12 0.376 5.386 12.476 1.00 0.00 H new ATOM 0 HB2 TYR A 12 1.512 3.290 11.336 1.00 0.00 H new ATOM 0 HB3 TYR A 12 1.073 4.042 9.815 1.00 0.00 H new ATOM 0 HD1 TYR A 12 2.051 6.288 9.221 1.00 0.00 H new ATOM 0 HD2 TYR A 12 3.398 4.055 12.591 1.00 0.00 H new ATOM 0 HE1 TYR A 12 4.168 7.676 9.304 1.00 0.00 H new ATOM 0 HE2 TYR A 12 5.511 5.450 12.661 1.00 0.00 H new ATOM 0 HH TYR A 12 6.621 7.058 11.767 1.00 0.00 H new ATOM 172 N LEU A 13 -1.289 5.556 9.682 1.00 0.00 N ATOM 173 CA LEU A 13 -1.973 6.483 8.796 1.00 0.00 C ATOM 174 C LEU A 13 -2.741 7.508 9.633 1.00 0.00 C ATOM 175 O LEU A 13 -2.514 8.711 9.510 1.00 0.00 O ATOM 176 CB LEU A 13 -2.849 5.723 7.798 1.00 0.00 C ATOM 177 CG LEU A 13 -2.134 5.168 6.565 1.00 0.00 C ATOM 178 CD1 LEU A 13 -2.633 3.761 6.229 1.00 0.00 C ATOM 179 CD2 LEU A 13 -2.269 6.123 5.377 1.00 0.00 C ATOM 0 H LEU A 13 -1.517 4.574 9.530 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.253 7.037 8.194 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.326 4.894 8.321 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -3.645 6.388 7.463 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.071 5.087 6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -2.109 3.390 5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.443 3.097 7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.704 3.793 6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.752 5.705 4.513 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.324 6.259 5.138 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.828 7.086 5.633 1.00 0.00 H new ATOM 191 N ILE A 14 -3.635 6.995 10.466 1.00 0.00 N ATOM 192 CA ILE A 14 -4.521 7.852 11.234 1.00 0.00 C ATOM 193 C ILE A 14 -3.689 8.728 12.173 1.00 0.00 C ATOM 194 O ILE A 14 -4.016 9.894 12.392 1.00 0.00 O ATOM 195 CB ILE A 14 -5.584 7.018 11.952 1.00 0.00 C ATOM 196 CG1 ILE A 14 -6.780 6.748 11.036 1.00 0.00 C ATOM 197 CG2 ILE A 14 -6.005 7.680 13.265 1.00 0.00 C ATOM 198 CD1 ILE A 14 -6.369 5.897 9.833 1.00 0.00 C ATOM 0 H ILE A 14 -3.764 5.996 10.626 1.00 0.00 H new ATOM 0 HA ILE A 14 -5.069 8.523 10.573 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.148 6.052 12.204 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -7.564 6.238 11.596 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -7.199 7.693 10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -6.761 7.067 13.755 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -5.138 7.777 13.918 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.417 8.668 13.059 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -7.238 5.720 9.199 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -5.603 6.421 9.261 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.973 4.943 10.181 1.00 0.00 H new ATOM 210 N ARG A 15 -2.631 8.133 12.702 1.00 0.00 N ATOM 211 CA ARG A 15 -1.841 8.788 13.731 1.00 0.00 C ATOM 212 C ARG A 15 -1.117 10.005 13.151 1.00 0.00 C ATOM 213 O ARG A 15 -1.384 11.138 13.548 1.00 0.00 O ATOM 214 CB ARG A 15 -0.810 7.828 14.329 1.00 0.00 C ATOM 215 CG ARG A 15 -0.593 8.113 15.816 1.00 0.00 C ATOM 216 CD ARG A 15 0.475 7.187 16.402 1.00 0.00 C ATOM 217 NE ARG A 15 0.660 7.476 17.842 1.00 0.00 N ATOM 218 CZ ARG A 15 1.558 6.859 18.622 1.00 0.00 C ATOM 219 NH1 ARG A 15 2.348 5.905 18.110 1.00 0.00 N ATOM 220 NH2 ARG A 15 1.666 7.196 19.915 1.00 0.00 N ATOM 0 H ARG A 15 -2.302 7.204 12.438 1.00 0.00 H new ATOM 0 HA ARG A 15 -2.523 9.108 14.519 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -1.146 6.800 14.198 1.00 0.00 H new ATOM 0 HB3 ARG A 15 0.135 7.925 13.795 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -0.292 9.152 15.951 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -1.531 7.980 16.356 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.180 6.146 16.266 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.417 7.323 15.871 1.00 0.00 H new ATOM 0 HE ARG A 15 0.067 8.189 18.267 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.266 5.648 17.126 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.031 5.436 18.704 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.065 7.922 20.305 1.00 0.00 H new ATOM 0 HH22 ARG A 15 2.349 6.727 20.509 1.00 0.00 H new ATOM 234 N TYR A 16 -0.215 9.729 12.220 1.00 0.00 N ATOM 235 CA TYR A 16 0.683 10.756 11.721 1.00 0.00 C ATOM 236 C TYR A 16 0.093 11.449 10.491 1.00 0.00 C ATOM 237 O TYR A 16 0.638 12.443 10.013 1.00 0.00 O ATOM 238 CB TYR A 16 1.968 10.031 11.315 1.00 0.00 C ATOM 239 CG TYR A 16 2.766 9.472 12.495 1.00 0.00 C ATOM 240 CD1 TYR A 16 3.617 10.296 13.205 1.00 0.00 C ATOM 241 CD2 TYR A 16 2.635 8.145 12.851 1.00 0.00 C ATOM 242 CE1 TYR A 16 4.368 9.770 14.315 1.00 0.00 C ATOM 243 CE2 TYR A 16 3.386 7.619 13.961 1.00 0.00 C ATOM 244 CZ TYR A 16 4.215 8.458 14.639 1.00 0.00 C ATOM 245 OH TYR A 16 4.925 7.961 15.688 1.00 0.00 O ATOM 0 H TYR A 16 -0.087 8.809 11.799 1.00 0.00 H new ATOM 0 HA TYR A 16 0.855 11.518 12.481 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.714 9.213 10.641 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.601 10.720 10.756 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.719 11.335 12.928 1.00 0.00 H new ATOM 0 HD2 TYR A 16 1.969 7.501 12.297 1.00 0.00 H new ATOM 0 HE1 TYR A 16 5.038 10.403 14.878 1.00 0.00 H new ATOM 0 HE2 TYR A 16 3.293 6.582 14.249 1.00 0.00 H new ATOM 0 HH TYR A 16 4.715 7.011 15.804 1.00 0.00 H new ATOM 255 N LYS A 17 -1.013 10.897 10.013 1.00 0.00 N ATOM 256 CA LYS A 17 -1.696 11.465 8.864 1.00 0.00 C ATOM 257 C LYS A 17 -0.843 11.252 7.612 1.00 0.00 C ATOM 258 O LYS A 17 -0.844 12.085 6.707 1.00 0.00 O ATOM 259 CB LYS A 17 -2.053 12.930 9.123 1.00 0.00 C ATOM 260 CG LYS A 17 -3.304 13.336 8.341 1.00 0.00 C ATOM 261 CD LYS A 17 -3.638 14.812 8.567 1.00 0.00 C ATOM 262 CE LYS A 17 -4.854 15.232 7.739 1.00 0.00 C ATOM 263 NZ LYS A 17 -6.092 14.652 8.304 1.00 0.00 N ATOM 0 H LYS A 17 -1.453 10.062 10.401 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.644 10.955 8.694 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -2.220 13.084 10.189 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.217 13.568 8.836 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.148 13.154 7.278 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.147 12.717 8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.836 14.986 9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.780 15.428 8.298 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.931 16.319 7.720 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -4.730 14.903 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -6.916 15.028 7.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.066 13.617 8.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -6.165 14.903 9.311 1.00 0.00 H new ATOM 277 N ARG A 18 -0.134 10.133 7.601 1.00 0.00 N ATOM 278 CA ARG A 18 0.604 9.726 6.418 1.00 0.00 C ATOM 279 C ARG A 18 1.126 8.297 6.582 1.00 0.00 C ATOM 280 O ARG A 18 1.018 7.714 7.660 1.00 0.00 O ATOM 281 CB ARG A 18 1.784 10.665 6.155 1.00 0.00 C ATOM 282 CG ARG A 18 2.553 10.953 7.445 1.00 0.00 C ATOM 283 CD ARG A 18 3.935 11.535 7.141 1.00 0.00 C ATOM 284 NE ARG A 18 4.830 10.473 6.628 1.00 0.00 N ATOM 285 CZ ARG A 18 6.123 10.659 6.332 1.00 0.00 C ATOM 286 NH1 ARG A 18 6.669 11.878 6.447 1.00 0.00 N ATOM 287 NH2 ARG A 18 6.872 9.626 5.922 1.00 0.00 N ATOM 0 H ARG A 18 -0.055 9.495 8.393 1.00 0.00 H new ATOM 0 HA ARG A 18 -0.079 9.772 5.570 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.453 10.217 5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.421 11.600 5.727 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.988 11.652 8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.660 10.034 8.022 1.00 0.00 H new ATOM 0 HD2 ARG A 18 3.848 12.335 6.406 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.360 11.976 8.043 1.00 0.00 H new ATOM 0 HE ARG A 18 4.437 9.542 6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.100 12.664 6.760 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.654 12.019 6.221 1.00 0.00 H new ATOM 0 HH21 ARG A 18 6.457 8.698 5.835 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.857 9.768 5.697 1.00 0.00 H new ATOM 301 N LEU A 19 1.679 7.774 5.498 1.00 0.00 N ATOM 302 CA LEU A 19 2.387 6.506 5.556 1.00 0.00 C ATOM 303 C LEU A 19 3.638 6.664 6.422 1.00 0.00 C ATOM 304 O LEU A 19 4.052 7.783 6.722 1.00 0.00 O ATOM 305 CB LEU A 19 2.677 5.990 4.145 1.00 0.00 C ATOM 306 CG LEU A 19 1.486 5.393 3.391 1.00 0.00 C ATOM 307 CD1 LEU A 19 1.846 5.114 1.931 1.00 0.00 C ATOM 308 CD2 LEU A 19 0.958 4.145 4.100 1.00 0.00 C ATOM 0 H LEU A 19 1.651 8.205 4.574 1.00 0.00 H new ATOM 0 HA LEU A 19 1.766 5.744 6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.080 6.813 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.457 5.232 4.210 1.00 0.00 H new ATOM 0 HG LEU A 19 0.680 6.127 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 19 0.983 4.690 1.418 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.137 6.045 1.444 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.675 4.408 1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.112 3.741 3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.748 3.396 4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.637 4.408 5.108 1.00 0.00 H new ATOM 320 N PRO A 20 4.219 5.498 6.810 1.00 0.00 N ATOM 321 CA PRO A 20 5.570 5.476 7.346 1.00 0.00 C ATOM 322 C PRO A 20 6.604 5.663 6.234 1.00 0.00 C ATOM 323 O PRO A 20 6.286 5.515 5.055 1.00 0.00 O ATOM 324 CB PRO A 20 5.692 4.136 8.052 1.00 0.00 C ATOM 325 CG PRO A 20 4.577 3.267 7.493 1.00 0.00 C ATOM 326 CD PRO A 20 3.609 4.173 6.748 1.00 0.00 C ATOM 0 HA PRO A 20 5.761 6.295 8.040 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.667 3.685 7.869 1.00 0.00 H new ATOM 0 HB3 PRO A 20 5.592 4.253 9.131 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.983 2.509 6.823 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.064 2.740 8.297 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.475 3.847 5.717 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.624 4.168 7.214 1.00 0.00 H new ATOM 334 N ASP A 21 7.820 5.984 6.649 1.00 0.00 N ATOM 335 CA ASP A 21 8.828 6.460 5.716 1.00 0.00 C ATOM 336 C ASP A 21 9.621 5.268 5.178 1.00 0.00 C ATOM 337 O ASP A 21 10.586 5.444 4.435 1.00 0.00 O ATOM 338 CB ASP A 21 9.811 7.410 6.404 1.00 0.00 C ATOM 339 CG ASP A 21 10.415 8.482 5.496 1.00 0.00 C ATOM 340 OD1 ASP A 21 9.695 9.466 5.222 1.00 0.00 O ATOM 341 OD2 ASP A 21 11.585 8.295 5.097 1.00 0.00 O ATOM 0 H ASP A 21 8.131 5.924 7.619 1.00 0.00 H new ATOM 0 HA ASP A 21 8.319 6.989 4.911 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.299 7.902 7.231 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.621 6.821 6.835 1.00 0.00 H new ATOM 346 N ASN A 22 9.186 4.080 5.573 1.00 0.00 N ATOM 347 CA ASN A 22 9.832 2.859 5.124 1.00 0.00 C ATOM 348 C ASN A 22 9.341 2.514 3.717 1.00 0.00 C ATOM 349 O ASN A 22 9.855 1.593 3.084 1.00 0.00 O ATOM 350 CB ASN A 22 9.491 1.685 6.045 1.00 0.00 C ATOM 351 CG ASN A 22 7.984 1.423 6.063 1.00 0.00 C ATOM 352 OD1 ASN A 22 7.178 2.256 5.683 1.00 0.00 O ATOM 353 ND2 ASN A 22 7.649 0.221 6.524 1.00 0.00 N ATOM 0 H ASN A 22 8.394 3.938 6.199 1.00 0.00 H new ATOM 0 HA ASN A 22 10.909 3.025 5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.015 0.790 5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 22 9.839 1.898 7.056 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.667 -0.050 6.575 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.374 -0.430 6.826 1.00 0.00 H new ATOM 360 N TYR A 23 8.351 3.272 3.268 1.00 0.00 N ATOM 361 CA TYR A 23 7.846 3.120 1.914 1.00 0.00 C ATOM 362 C TYR A 23 8.297 4.282 1.027 1.00 0.00 C ATOM 363 O TYR A 23 8.119 5.445 1.384 1.00 0.00 O ATOM 364 CB TYR A 23 6.321 3.142 2.028 1.00 0.00 C ATOM 365 CG TYR A 23 5.745 2.020 2.894 1.00 0.00 C ATOM 366 CD1 TYR A 23 6.323 0.767 2.875 1.00 0.00 C ATOM 367 CD2 TYR A 23 4.648 2.262 3.696 1.00 0.00 C ATOM 368 CE1 TYR A 23 5.781 -0.289 3.691 1.00 0.00 C ATOM 369 CE2 TYR A 23 4.106 1.206 4.512 1.00 0.00 C ATOM 370 CZ TYR A 23 4.699 -0.017 4.469 1.00 0.00 C ATOM 371 OH TYR A 23 4.187 -1.014 5.239 1.00 0.00 O ATOM 0 H TYR A 23 7.885 3.993 3.818 1.00 0.00 H new ATOM 0 HA TYR A 23 8.218 2.198 1.467 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.012 4.102 2.442 1.00 0.00 H new ATOM 0 HB3 TYR A 23 5.891 3.073 1.029 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.182 0.578 2.248 1.00 0.00 H new ATOM 0 HD2 TYR A 23 4.196 3.243 3.712 1.00 0.00 H new ATOM 0 HE1 TYR A 23 6.224 -1.274 3.685 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.248 1.382 5.144 1.00 0.00 H new ATOM 0 HH TYR A 23 3.820 -1.716 4.663 1.00 0.00 H new ATOM 381 N ILE A 24 8.872 3.926 -0.113 1.00 0.00 N ATOM 382 CA ILE A 24 9.130 4.903 -1.157 1.00 0.00 C ATOM 383 C ILE A 24 8.108 4.723 -2.281 1.00 0.00 C ATOM 384 O ILE A 24 7.381 3.731 -2.312 1.00 0.00 O ATOM 385 CB ILE A 24 10.584 4.814 -1.627 1.00 0.00 C ATOM 386 CG1 ILE A 24 10.884 3.436 -2.221 1.00 0.00 C ATOM 387 CG2 ILE A 24 11.548 5.173 -0.495 1.00 0.00 C ATOM 388 CD1 ILE A 24 12.160 3.469 -3.064 1.00 0.00 C ATOM 0 H ILE A 24 9.166 2.975 -0.336 1.00 0.00 H new ATOM 0 HA ILE A 24 9.006 5.915 -0.771 1.00 0.00 H new ATOM 0 HB ILE A 24 10.733 5.546 -2.421 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.992 2.706 -1.419 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.045 3.111 -2.837 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.574 5.102 -0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 24 11.351 6.191 -0.158 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.406 4.482 0.336 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.351 2.477 -3.475 1.00 0.00 H new ATOM 0 HD12 ILE A 24 12.039 4.182 -3.879 1.00 0.00 H new ATOM 0 HD13 ILE A 24 13.001 3.771 -2.440 1.00 0.00 H new ATOM 400 N THR A 25 8.086 5.697 -3.179 1.00 0.00 N ATOM 401 CA THR A 25 7.166 5.659 -4.303 1.00 0.00 C ATOM 402 C THR A 25 7.746 4.815 -5.439 1.00 0.00 C ATOM 403 O THR A 25 8.949 4.558 -5.475 1.00 0.00 O ATOM 404 CB THR A 25 6.859 7.101 -4.712 1.00 0.00 C ATOM 405 OG1 THR A 25 8.054 7.812 -4.400 1.00 0.00 O ATOM 406 CG2 THR A 25 5.796 7.749 -3.822 1.00 0.00 C ATOM 0 H THR A 25 8.691 6.518 -3.151 1.00 0.00 H new ATOM 0 HA THR A 25 6.227 5.177 -4.030 1.00 0.00 H new ATOM 0 HB THR A 25 6.524 7.121 -5.749 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.943 8.757 -4.635 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.616 8.771 -4.155 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.870 7.178 -3.887 1.00 0.00 H new ATOM 0 HG23 THR A 25 6.144 7.760 -2.789 1.00 0.00 H new ATOM 414 N LYS A 26 6.865 4.406 -6.340 1.00 0.00 N ATOM 415 CA LYS A 26 7.287 3.674 -7.521 1.00 0.00 C ATOM 416 C LYS A 26 8.342 4.489 -8.271 1.00 0.00 C ATOM 417 O LYS A 26 9.307 3.932 -8.793 1.00 0.00 O ATOM 418 CB LYS A 26 6.077 3.297 -8.379 1.00 0.00 C ATOM 419 CG LYS A 26 5.218 2.240 -7.681 1.00 0.00 C ATOM 420 CD LYS A 26 3.851 2.112 -8.355 1.00 0.00 C ATOM 421 CE LYS A 26 2.939 1.167 -7.571 1.00 0.00 C ATOM 422 NZ LYS A 26 1.558 1.219 -8.102 1.00 0.00 N ATOM 0 H LYS A 26 5.860 4.568 -6.275 1.00 0.00 H new ATOM 0 HA LYS A 26 7.754 2.731 -7.237 1.00 0.00 H new ATOM 0 HB2 LYS A 26 5.477 4.185 -8.578 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.415 2.918 -9.343 1.00 0.00 H new ATOM 0 HG2 LYS A 26 5.730 1.278 -7.703 1.00 0.00 H new ATOM 0 HG3 LYS A 26 5.087 2.507 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 26 3.385 3.094 -8.429 1.00 0.00 H new ATOM 0 HD3 LYS A 26 3.977 1.741 -9.372 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.321 0.148 -7.634 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.940 1.443 -6.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 0.952 0.572 -7.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 1.191 2.188 -8.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.560 0.934 -9.102 1.00 0.00 H new ATOM 436 N SER A 27 8.123 5.795 -8.301 1.00 0.00 N ATOM 437 CA SER A 27 8.992 6.682 -9.056 1.00 0.00 C ATOM 438 C SER A 27 10.427 6.580 -8.533 1.00 0.00 C ATOM 439 O SER A 27 11.378 6.605 -9.312 1.00 0.00 O ATOM 440 CB SER A 27 8.502 8.130 -8.979 1.00 0.00 C ATOM 441 OG SER A 27 7.159 8.263 -9.436 1.00 0.00 O ATOM 0 H SER A 27 7.357 6.261 -7.815 1.00 0.00 H new ATOM 0 HA SER A 27 8.970 6.373 -10.101 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.571 8.482 -7.950 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.154 8.766 -9.578 1.00 0.00 H new ATOM 0 HG SER A 27 6.882 9.201 -9.370 1.00 0.00 H new ATOM 447 N GLN A 28 10.536 6.465 -7.218 1.00 0.00 N ATOM 448 CA GLN A 28 11.837 6.485 -6.571 1.00 0.00 C ATOM 449 C GLN A 28 12.576 5.169 -6.824 1.00 0.00 C ATOM 450 O GLN A 28 13.757 5.172 -7.168 1.00 0.00 O ATOM 451 CB GLN A 28 11.700 6.756 -5.071 1.00 0.00 C ATOM 452 CG GLN A 28 11.217 8.185 -4.815 1.00 0.00 C ATOM 453 CD GLN A 28 12.341 9.195 -5.054 1.00 0.00 C ATOM 454 OE1 GLN A 28 12.413 9.852 -6.079 1.00 0.00 O ATOM 455 NE2 GLN A 28 13.213 9.282 -4.052 1.00 0.00 N ATOM 0 H GLN A 28 9.745 6.358 -6.583 1.00 0.00 H new ATOM 0 HA GLN A 28 12.422 7.297 -7.002 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.998 6.047 -4.632 1.00 0.00 H new ATOM 0 HB3 GLN A 28 12.660 6.599 -4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.375 8.411 -5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.856 8.273 -3.790 1.00 0.00 H new ATOM 0 HE21 GLN A 28 13.094 8.703 -3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 28 14.000 9.928 -4.115 1.00 0.00 H new ATOM 464 N ALA A 29 11.849 4.076 -6.645 1.00 0.00 N ATOM 465 CA ALA A 29 12.375 2.764 -6.985 1.00 0.00 C ATOM 466 C ALA A 29 12.895 2.785 -8.424 1.00 0.00 C ATOM 467 O ALA A 29 13.992 2.301 -8.698 1.00 0.00 O ATOM 468 CB ALA A 29 11.288 1.708 -6.773 1.00 0.00 C ATOM 0 H ALA A 29 10.901 4.071 -6.269 1.00 0.00 H new ATOM 0 HA ALA A 29 13.212 2.506 -6.336 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.682 0.724 -7.028 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.974 1.714 -5.729 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.433 1.933 -7.411 1.00 0.00 H new ATOM 474 N SER A 30 12.082 3.351 -9.304 1.00 0.00 N ATOM 475 CA SER A 30 12.388 3.331 -10.725 1.00 0.00 C ATOM 476 C SER A 30 13.673 4.117 -10.994 1.00 0.00 C ATOM 477 O SER A 30 14.496 3.706 -11.811 1.00 0.00 O ATOM 478 CB SER A 30 11.232 3.907 -11.545 1.00 0.00 C ATOM 479 OG SER A 30 10.396 2.885 -12.080 1.00 0.00 O ATOM 0 H SER A 30 11.213 3.826 -9.061 1.00 0.00 H new ATOM 0 HA SER A 30 12.533 2.295 -11.030 1.00 0.00 H new ATOM 0 HB2 SER A 30 10.637 4.570 -10.917 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.631 4.512 -12.359 1.00 0.00 H new ATOM 0 HG SER A 30 9.669 3.293 -12.595 1.00 0.00 H new ATOM 485 N ALA A 31 13.806 5.232 -10.292 1.00 0.00 N ATOM 486 CA ALA A 31 14.989 6.065 -10.426 1.00 0.00 C ATOM 487 C ALA A 31 16.218 5.274 -9.974 1.00 0.00 C ATOM 488 O ALA A 31 17.293 5.404 -10.558 1.00 0.00 O ATOM 489 CB ALA A 31 14.799 7.354 -9.624 1.00 0.00 C ATOM 0 H ALA A 31 13.114 5.579 -9.628 1.00 0.00 H new ATOM 0 HA ALA A 31 15.143 6.348 -11.467 1.00 0.00 H new ATOM 0 HB1 ALA A 31 15.686 7.979 -9.724 1.00 0.00 H new ATOM 0 HB2 ALA A 31 13.931 7.893 -10.002 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.645 7.109 -8.573 1.00 0.00 H new ATOM 495 N LEU A 32 16.018 4.471 -8.939 1.00 0.00 N ATOM 496 CA LEU A 32 17.103 3.677 -8.387 1.00 0.00 C ATOM 497 C LEU A 32 17.416 2.519 -9.337 1.00 0.00 C ATOM 498 O LEU A 32 18.466 1.888 -9.227 1.00 0.00 O ATOM 499 CB LEU A 32 16.769 3.231 -6.963 1.00 0.00 C ATOM 500 CG LEU A 32 16.712 4.339 -5.909 1.00 0.00 C ATOM 501 CD1 LEU A 32 15.926 3.884 -4.677 1.00 0.00 C ATOM 502 CD2 LEU A 32 18.117 4.823 -5.546 1.00 0.00 C ATOM 0 H LEU A 32 15.121 4.353 -8.468 1.00 0.00 H new ATOM 0 HA LEU A 32 18.010 4.276 -8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 32 15.805 2.723 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 32 17.511 2.497 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 32 16.179 5.189 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 32 15.901 4.690 -3.944 1.00 0.00 H new ATOM 0 HD12 LEU A 32 14.908 3.627 -4.969 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.409 3.010 -4.239 1.00 0.00 H new ATOM 0 HD21 LEU A 32 18.048 5.610 -4.795 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.697 3.991 -5.147 1.00 0.00 H new ATOM 0 HD23 LEU A 32 18.609 5.213 -6.437 1.00 0.00 H new ATOM 514 N GLY A 33 16.486 2.275 -10.248 1.00 0.00 N ATOM 515 CA GLY A 33 16.762 1.418 -11.389 1.00 0.00 C ATOM 516 C GLY A 33 15.911 0.148 -11.339 1.00 0.00 C ATOM 517 O GLY A 33 16.104 -0.765 -12.141 1.00 0.00 O ATOM 0 H GLY A 33 15.540 2.656 -10.220 1.00 0.00 H new ATOM 0 HA2 GLY A 33 16.559 1.960 -12.313 1.00 0.00 H new ATOM 0 HA3 GLY A 33 17.819 1.152 -11.401 1.00 0.00 H new ATOM 521 N TRP A 34 14.987 0.129 -10.390 1.00 0.00 N ATOM 522 CA TRP A 34 14.020 -0.952 -10.307 1.00 0.00 C ATOM 523 C TRP A 34 13.226 -0.978 -11.614 1.00 0.00 C ATOM 524 O TRP A 34 12.922 0.071 -12.181 1.00 0.00 O ATOM 525 CB TRP A 34 13.132 -0.801 -9.070 1.00 0.00 C ATOM 526 CG TRP A 34 11.847 -1.629 -9.122 1.00 0.00 C ATOM 527 CD1 TRP A 34 11.717 -2.959 -9.019 1.00 0.00 C ATOM 528 CD2 TRP A 34 10.505 -1.125 -9.294 1.00 0.00 C ATOM 529 NE1 TRP A 34 10.396 -3.347 -9.112 1.00 0.00 N ATOM 530 CE2 TRP A 34 9.636 -2.196 -9.285 1.00 0.00 C ATOM 531 CE3 TRP A 34 10.042 0.193 -9.453 1.00 0.00 C ATOM 532 CZ2 TRP A 34 8.250 -2.060 -9.429 1.00 0.00 C ATOM 533 CZ3 TRP A 34 8.654 0.312 -9.597 1.00 0.00 C ATOM 534 CH2 TRP A 34 7.766 -0.757 -9.589 1.00 0.00 C ATOM 0 H TRP A 34 14.887 0.846 -9.671 1.00 0.00 H new ATOM 0 HA TRP A 34 14.524 -1.911 -10.187 1.00 0.00 H new ATOM 0 HB2 TRP A 34 13.703 -1.090 -8.188 1.00 0.00 H new ATOM 0 HB3 TRP A 34 12.870 0.250 -8.949 1.00 0.00 H new ATOM 0 HD1 TRP A 34 12.543 -3.641 -8.881 1.00 0.00 H new ATOM 0 HE1 TRP A 34 10.042 -4.302 -9.063 1.00 0.00 H new ATOM 0 HE3 TRP A 34 10.704 1.046 -9.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 7.590 -2.915 -9.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 8.245 1.304 -9.723 1.00 0.00 H new ATOM 0 HH2 TRP A 34 6.707 -0.583 -9.706 1.00 0.00 H new ATOM 545 N VAL A 35 12.911 -2.187 -12.055 1.00 0.00 N ATOM 546 CA VAL A 35 12.015 -2.361 -13.185 1.00 0.00 C ATOM 547 C VAL A 35 10.908 -3.347 -12.805 1.00 0.00 C ATOM 548 O VAL A 35 11.181 -4.405 -12.241 1.00 0.00 O ATOM 549 CB VAL A 35 12.807 -2.799 -14.419 1.00 0.00 C ATOM 550 CG1 VAL A 35 11.907 -2.864 -15.654 1.00 0.00 C ATOM 551 CG2 VAL A 35 14.002 -1.874 -14.660 1.00 0.00 C ATOM 0 H VAL A 35 13.260 -3.055 -11.650 1.00 0.00 H new ATOM 0 HA VAL A 35 11.536 -1.416 -13.441 1.00 0.00 H new ATOM 0 HB VAL A 35 13.191 -3.802 -14.232 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.495 -3.178 -16.517 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.104 -3.581 -15.482 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.480 -1.880 -15.845 1.00 0.00 H new ATOM 0 HG21 VAL A 35 14.548 -2.207 -15.543 1.00 0.00 H new ATOM 0 HG22 VAL A 35 13.648 -0.855 -14.816 1.00 0.00 H new ATOM 0 HG23 VAL A 35 14.663 -1.900 -13.793 1.00 0.00 H new ATOM 561 N ALA A 36 9.682 -2.965 -13.130 1.00 0.00 N ATOM 562 CA ALA A 36 8.523 -3.736 -12.715 1.00 0.00 C ATOM 563 C ALA A 36 8.411 -4.990 -13.585 1.00 0.00 C ATOM 564 O ALA A 36 8.065 -6.062 -13.092 1.00 0.00 O ATOM 565 CB ALA A 36 7.271 -2.859 -12.793 1.00 0.00 C ATOM 0 H ALA A 36 9.466 -2.131 -13.676 1.00 0.00 H new ATOM 0 HA ALA A 36 8.630 -4.061 -11.680 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.401 -3.438 -12.482 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.388 -1.998 -12.135 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.130 -2.516 -13.818 1.00 0.00 H new ATOM 571 N SER A 37 8.712 -4.813 -14.863 1.00 0.00 N ATOM 572 CA SER A 37 8.603 -5.905 -15.815 1.00 0.00 C ATOM 573 C SER A 37 9.485 -7.074 -15.374 1.00 0.00 C ATOM 574 O SER A 37 9.061 -8.228 -15.419 1.00 0.00 O ATOM 575 CB SER A 37 8.991 -5.449 -17.223 1.00 0.00 C ATOM 576 OG SER A 37 8.225 -4.327 -17.651 1.00 0.00 O ATOM 0 H SER A 37 9.031 -3.930 -15.261 1.00 0.00 H new ATOM 0 HA SER A 37 7.564 -6.233 -15.842 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.050 -5.193 -17.242 1.00 0.00 H new ATOM 0 HB3 SER A 37 8.849 -6.273 -17.923 1.00 0.00 H new ATOM 0 HG SER A 37 8.504 -4.066 -18.553 1.00 0.00 H new ATOM 582 N LYS A 38 10.696 -6.735 -14.956 1.00 0.00 N ATOM 583 CA LYS A 38 11.686 -7.748 -14.630 1.00 0.00 C ATOM 584 C LYS A 38 12.556 -7.251 -13.474 1.00 0.00 C ATOM 585 O LYS A 38 12.979 -6.096 -13.463 1.00 0.00 O ATOM 586 CB LYS A 38 12.483 -8.139 -15.877 1.00 0.00 C ATOM 587 CG LYS A 38 13.432 -9.302 -15.578 1.00 0.00 C ATOM 588 CD LYS A 38 14.253 -9.670 -16.816 1.00 0.00 C ATOM 589 CE LYS A 38 15.492 -8.781 -16.937 1.00 0.00 C ATOM 590 NZ LYS A 38 16.570 -9.270 -16.048 1.00 0.00 N ATOM 0 H LYS A 38 11.014 -5.773 -14.836 1.00 0.00 H new ATOM 0 HA LYS A 38 11.199 -8.663 -14.292 1.00 0.00 H new ATOM 0 HB2 LYS A 38 11.798 -8.420 -16.677 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.054 -7.281 -16.232 1.00 0.00 H new ATOM 0 HG2 LYS A 38 14.101 -9.030 -14.761 1.00 0.00 H new ATOM 0 HG3 LYS A 38 12.859 -10.168 -15.246 1.00 0.00 H new ATOM 0 HD2 LYS A 38 14.556 -10.716 -16.758 1.00 0.00 H new ATOM 0 HD3 LYS A 38 13.637 -9.565 -17.709 1.00 0.00 H new ATOM 0 HE2 LYS A 38 15.841 -8.772 -17.970 1.00 0.00 H new ATOM 0 HE3 LYS A 38 15.236 -7.754 -16.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 17.404 -8.655 -16.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.240 -9.256 -15.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 16.825 -10.242 -16.314 1.00 0.00 H new ATOM 604 N GLY A 39 12.798 -8.148 -12.529 1.00 0.00 N ATOM 605 CA GLY A 39 13.664 -7.836 -11.405 1.00 0.00 C ATOM 606 C GLY A 39 12.846 -7.420 -10.181 1.00 0.00 C ATOM 607 O GLY A 39 12.109 -6.436 -10.228 1.00 0.00 O ATOM 0 H GLY A 39 12.409 -9.091 -12.519 1.00 0.00 H new ATOM 0 HA2 GLY A 39 14.275 -8.705 -11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 39 14.348 -7.033 -11.680 1.00 0.00 H new ATOM 611 N ASN A 40 13.003 -8.190 -9.115 1.00 0.00 N ATOM 612 CA ASN A 40 12.332 -7.881 -7.863 1.00 0.00 C ATOM 613 C ASN A 40 12.960 -6.628 -7.248 1.00 0.00 C ATOM 614 O ASN A 40 14.024 -6.186 -7.681 1.00 0.00 O ATOM 615 CB ASN A 40 12.482 -9.026 -6.860 1.00 0.00 C ATOM 616 CG ASN A 40 13.957 -9.294 -6.551 1.00 0.00 C ATOM 617 OD1 ASN A 40 14.703 -9.818 -7.362 1.00 0.00 O ATOM 618 ND2 ASN A 40 14.334 -8.907 -5.336 1.00 0.00 N ATOM 0 H ASN A 40 13.585 -9.027 -9.092 1.00 0.00 H new ATOM 0 HA ASN A 40 11.275 -7.726 -8.077 1.00 0.00 H new ATOM 0 HB2 ASN A 40 11.953 -8.780 -5.940 1.00 0.00 H new ATOM 0 HB3 ASN A 40 12.021 -9.929 -7.261 1.00 0.00 H new ATOM 0 HD21 ASN A 40 15.299 -9.043 -5.034 1.00 0.00 H new ATOM 0 HD22 ASN A 40 13.658 -8.474 -4.706 1.00 0.00 H new ATOM 625 N LEU A 41 12.276 -6.092 -6.249 1.00 0.00 N ATOM 626 CA LEU A 41 12.609 -4.774 -5.736 1.00 0.00 C ATOM 627 C LEU A 41 13.964 -4.834 -5.028 1.00 0.00 C ATOM 628 O LEU A 41 14.894 -4.119 -5.397 1.00 0.00 O ATOM 629 CB LEU A 41 11.478 -4.240 -4.855 1.00 0.00 C ATOM 630 CG LEU A 41 11.472 -2.729 -4.615 1.00 0.00 C ATOM 631 CD1 LEU A 41 11.270 -1.965 -5.925 1.00 0.00 C ATOM 632 CD2 LEU A 41 10.430 -2.346 -3.562 1.00 0.00 C ATOM 0 H LEU A 41 11.492 -6.546 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 41 12.708 -4.061 -6.554 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.527 -4.520 -5.309 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.529 -4.741 -3.888 1.00 0.00 H new ATOM 0 HG LEU A 41 12.448 -2.442 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 41 11.270 -0.894 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 41 12.079 -2.205 -6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 41 10.317 -2.251 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.446 -1.267 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.440 -2.650 -3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 41 10.661 -2.848 -2.622 1.00 0.00 H new ATOM 644 N ALA A 42 14.032 -5.695 -4.023 1.00 0.00 N ATOM 645 CA ALA A 42 15.127 -5.645 -3.069 1.00 0.00 C ATOM 646 C ALA A 42 16.453 -5.819 -3.811 1.00 0.00 C ATOM 647 O ALA A 42 17.504 -5.417 -3.314 1.00 0.00 O ATOM 648 CB ALA A 42 14.916 -6.714 -1.994 1.00 0.00 C ATOM 0 H ALA A 42 13.347 -6.431 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 42 15.155 -4.678 -2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 42 15.737 -6.677 -1.278 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.975 -6.529 -1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 42 14.886 -7.698 -2.461 1.00 0.00 H new ATOM 654 N GLU A 43 16.361 -6.417 -4.990 1.00 0.00 N ATOM 655 CA GLU A 43 17.530 -6.588 -5.836 1.00 0.00 C ATOM 656 C GLU A 43 18.226 -5.243 -6.058 1.00 0.00 C ATOM 657 O GLU A 43 19.429 -5.119 -5.837 1.00 0.00 O ATOM 658 CB GLU A 43 17.152 -7.236 -7.169 1.00 0.00 C ATOM 659 CG GLU A 43 18.393 -7.485 -8.030 1.00 0.00 C ATOM 660 CD GLU A 43 18.024 -8.207 -9.327 1.00 0.00 C ATOM 661 OE1 GLU A 43 17.557 -7.509 -10.252 1.00 0.00 O ATOM 662 OE2 GLU A 43 18.219 -9.441 -9.364 1.00 0.00 O ATOM 0 H GLU A 43 15.495 -6.789 -5.379 1.00 0.00 H new ATOM 0 HA GLU A 43 18.226 -7.256 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 43 16.637 -8.179 -6.986 1.00 0.00 H new ATOM 0 HB3 GLU A 43 16.456 -6.592 -7.706 1.00 0.00 H new ATOM 0 HG2 GLU A 43 18.875 -6.536 -8.263 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.115 -8.080 -7.471 1.00 0.00 H new ATOM 669 N VAL A 44 17.438 -4.270 -6.492 1.00 0.00 N ATOM 670 CA VAL A 44 17.993 -3.017 -6.975 1.00 0.00 C ATOM 671 C VAL A 44 17.911 -1.966 -5.866 1.00 0.00 C ATOM 672 O VAL A 44 18.854 -1.206 -5.655 1.00 0.00 O ATOM 673 CB VAL A 44 17.278 -2.589 -8.258 1.00 0.00 C ATOM 674 CG1 VAL A 44 17.861 -1.282 -8.801 1.00 0.00 C ATOM 675 CG2 VAL A 44 17.336 -3.695 -9.314 1.00 0.00 C ATOM 0 H VAL A 44 16.420 -4.324 -6.519 1.00 0.00 H new ATOM 0 HA VAL A 44 19.046 -3.139 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 44 16.230 -2.413 -8.014 1.00 0.00 H new ATOM 0 HG11 VAL A 44 17.335 -1.000 -9.713 1.00 0.00 H new ATOM 0 HG12 VAL A 44 17.744 -0.494 -8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 44 18.920 -1.419 -9.020 1.00 0.00 H new ATOM 0 HG21 VAL A 44 16.820 -3.365 -10.216 1.00 0.00 H new ATOM 0 HG22 VAL A 44 18.376 -3.917 -9.552 1.00 0.00 H new ATOM 0 HG23 VAL A 44 16.853 -4.592 -8.928 1.00 0.00 H new ATOM 685 N ALA A 45 16.773 -1.958 -5.186 1.00 0.00 N ATOM 686 CA ALA A 45 16.552 -1.006 -4.110 1.00 0.00 C ATOM 687 C ALA A 45 16.130 -1.760 -2.848 1.00 0.00 C ATOM 688 O ALA A 45 14.939 -1.926 -2.589 1.00 0.00 O ATOM 689 CB ALA A 45 15.512 0.027 -4.548 1.00 0.00 C ATOM 0 H ALA A 45 15.995 -2.595 -5.359 1.00 0.00 H new ATOM 0 HA ALA A 45 17.470 -0.466 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 45 15.346 0.741 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.873 0.555 -5.431 1.00 0.00 H new ATOM 0 HB3 ALA A 45 14.575 -0.478 -4.784 1.00 0.00 H new ATOM 695 N PRO A 46 17.155 -2.207 -2.075 1.00 0.00 N ATOM 696 CA PRO A 46 16.903 -2.878 -0.811 1.00 0.00 C ATOM 697 C PRO A 46 16.482 -1.877 0.267 1.00 0.00 C ATOM 698 O PRO A 46 16.757 -0.683 0.152 1.00 0.00 O ATOM 699 CB PRO A 46 18.201 -3.596 -0.481 1.00 0.00 C ATOM 700 CG PRO A 46 19.274 -2.928 -1.326 1.00 0.00 C ATOM 701 CD PRO A 46 18.577 -2.087 -2.383 1.00 0.00 C ATOM 0 HA PRO A 46 16.076 -3.585 -0.868 1.00 0.00 H new ATOM 0 HB2 PRO A 46 18.433 -3.515 0.581 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.129 -4.659 -0.711 1.00 0.00 H new ATOM 0 HG2 PRO A 46 19.916 -2.304 -0.704 1.00 0.00 H new ATOM 0 HG3 PRO A 46 19.913 -3.677 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 46 18.905 -1.048 -2.342 1.00 0.00 H new ATOM 0 HD3 PRO A 46 18.797 -2.451 -3.387 1.00 0.00 H new ATOM 709 N GLY A 47 15.823 -2.400 1.290 1.00 0.00 N ATOM 710 CA GLY A 47 15.767 -1.717 2.572 1.00 0.00 C ATOM 711 C GLY A 47 14.482 -0.898 2.701 1.00 0.00 C ATOM 712 O GLY A 47 14.235 -0.283 3.738 1.00 0.00 O ATOM 0 H GLY A 47 15.323 -3.289 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.820 -2.447 3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.632 -1.062 2.677 1.00 0.00 H new ATOM 716 N LYS A 48 13.696 -0.916 1.634 1.00 0.00 N ATOM 717 CA LYS A 48 12.428 -0.207 1.627 1.00 0.00 C ATOM 718 C LYS A 48 11.490 -0.860 0.609 1.00 0.00 C ATOM 719 O LYS A 48 11.945 -1.498 -0.339 1.00 0.00 O ATOM 720 CB LYS A 48 12.651 1.287 1.388 1.00 0.00 C ATOM 721 CG LYS A 48 13.492 1.522 0.132 1.00 0.00 C ATOM 722 CD LYS A 48 14.930 1.895 0.497 1.00 0.00 C ATOM 723 CE LYS A 48 15.108 3.414 0.542 1.00 0.00 C ATOM 724 NZ LYS A 48 14.397 3.985 1.708 1.00 0.00 N ATOM 0 H LYS A 48 13.913 -1.410 0.769 1.00 0.00 H new ATOM 0 HA LYS A 48 11.944 -0.281 2.601 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.689 1.790 1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.150 1.727 2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.491 0.623 -0.484 1.00 0.00 H new ATOM 0 HG3 LYS A 48 13.046 2.318 -0.465 1.00 0.00 H new ATOM 0 HD2 LYS A 48 15.186 1.466 1.466 1.00 0.00 H new ATOM 0 HD3 LYS A 48 15.617 1.466 -0.233 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.168 3.660 0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.726 3.858 -0.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.637 4.992 1.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.371 3.885 1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 14.683 3.479 2.571 1.00 0.00 H new ATOM 738 N SER A 49 10.198 -0.676 0.840 1.00 0.00 N ATOM 739 CA SER A 49 9.194 -1.197 -0.072 1.00 0.00 C ATOM 740 C SER A 49 8.507 -0.045 -0.808 1.00 0.00 C ATOM 741 O SER A 49 8.899 1.112 -0.660 1.00 0.00 O ATOM 742 CB SER A 49 8.159 -2.043 0.673 1.00 0.00 C ATOM 743 OG SER A 49 8.760 -2.867 1.668 1.00 0.00 O ATOM 0 H SER A 49 9.824 -0.174 1.645 1.00 0.00 H new ATOM 0 HA SER A 49 9.692 -1.838 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.424 -1.388 1.140 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.621 -2.669 -0.040 1.00 0.00 H new ATOM 0 HG SER A 49 8.067 -3.390 2.122 1.00 0.00 H new ATOM 749 N ILE A 50 7.495 -0.401 -1.585 1.00 0.00 N ATOM 750 CA ILE A 50 6.673 0.598 -2.247 1.00 0.00 C ATOM 751 C ILE A 50 5.595 1.090 -1.279 1.00 0.00 C ATOM 752 O ILE A 50 5.253 0.397 -0.322 1.00 0.00 O ATOM 753 CB ILE A 50 6.114 0.046 -3.560 1.00 0.00 C ATOM 754 CG1 ILE A 50 7.235 -0.497 -4.449 1.00 0.00 C ATOM 755 CG2 ILE A 50 5.269 1.098 -4.282 1.00 0.00 C ATOM 756 CD1 ILE A 50 8.287 0.579 -4.723 1.00 0.00 C ATOM 0 H ILE A 50 7.225 -1.367 -1.771 1.00 0.00 H new ATOM 0 HA ILE A 50 7.274 1.465 -2.521 1.00 0.00 H new ATOM 0 HB ILE A 50 5.456 -0.790 -3.325 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.704 -1.354 -3.966 1.00 0.00 H new ATOM 0 HG13 ILE A 50 6.817 -0.851 -5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.884 0.680 -5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.436 1.395 -3.645 1.00 0.00 H new ATOM 0 HG23 ILE A 50 5.885 1.970 -4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.072 0.167 -5.357 1.00 0.00 H new ATOM 0 HD12 ILE A 50 7.820 1.425 -5.228 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.720 0.913 -3.780 1.00 0.00 H new ATOM 768 N GLY A 51 5.092 2.282 -1.560 1.00 0.00 N ATOM 769 CA GLY A 51 3.804 2.695 -1.028 1.00 0.00 C ATOM 770 C GLY A 51 3.521 4.163 -1.356 1.00 0.00 C ATOM 771 O GLY A 51 4.415 4.891 -1.783 1.00 0.00 O ATOM 0 H GLY A 51 5.553 2.976 -2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.016 2.067 -1.444 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.789 2.551 0.052 1.00 0.00 H new ATOM 775 N GLY A 52 2.273 4.553 -1.143 1.00 0.00 N ATOM 776 CA GLY A 52 1.886 5.945 -1.301 1.00 0.00 C ATOM 777 C GLY A 52 1.521 6.251 -2.755 1.00 0.00 C ATOM 778 O GLY A 52 1.364 7.412 -3.128 1.00 0.00 O ATOM 0 H GLY A 52 1.516 3.929 -0.862 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.036 6.165 -0.655 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.704 6.592 -0.984 1.00 0.00 H new ATOM 782 N ASP A 53 1.395 5.188 -3.536 1.00 0.00 N ATOM 783 CA ASP A 53 1.036 5.328 -4.937 1.00 0.00 C ATOM 784 C ASP A 53 -0.456 5.035 -5.108 1.00 0.00 C ATOM 785 O ASP A 53 -1.063 4.374 -4.267 1.00 0.00 O ATOM 786 CB ASP A 53 1.815 4.339 -5.807 1.00 0.00 C ATOM 787 CG ASP A 53 3.335 4.387 -5.638 1.00 0.00 C ATOM 788 OD1 ASP A 53 3.818 3.772 -4.663 1.00 0.00 O ATOM 789 OD2 ASP A 53 3.980 5.039 -6.488 1.00 0.00 O ATOM 0 H ASP A 53 1.535 4.227 -3.225 1.00 0.00 H new ATOM 0 HA ASP A 53 1.275 6.346 -5.246 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.471 3.330 -5.580 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.575 4.531 -6.853 1.00 0.00 H new ATOM 794 N VAL A 54 -1.004 5.541 -6.203 1.00 0.00 N ATOM 795 CA VAL A 54 -2.444 5.527 -6.394 1.00 0.00 C ATOM 796 C VAL A 54 -2.877 4.141 -6.878 1.00 0.00 C ATOM 797 O VAL A 54 -2.164 3.498 -7.647 1.00 0.00 O ATOM 798 CB VAL A 54 -2.856 6.649 -7.349 1.00 0.00 C ATOM 799 CG1 VAL A 54 -4.364 6.621 -7.610 1.00 0.00 C ATOM 800 CG2 VAL A 54 -2.418 8.014 -6.813 1.00 0.00 C ATOM 0 H VAL A 54 -0.476 5.963 -6.967 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.956 5.717 -5.451 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.348 6.483 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.630 7.429 -8.292 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -4.638 5.665 -8.055 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.899 6.750 -6.669 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.723 8.794 -7.511 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -2.885 8.191 -5.844 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.334 8.030 -6.702 1.00 0.00 H new ATOM 810 N PHE A 55 -4.043 3.723 -6.408 1.00 0.00 N ATOM 811 CA PHE A 55 -4.609 2.454 -6.832 1.00 0.00 C ATOM 812 C PHE A 55 -5.971 2.656 -7.498 1.00 0.00 C ATOM 813 O PHE A 55 -6.721 3.557 -7.124 1.00 0.00 O ATOM 814 CB PHE A 55 -4.791 1.602 -5.574 1.00 0.00 C ATOM 815 CG PHE A 55 -6.072 0.766 -5.570 1.00 0.00 C ATOM 816 CD1 PHE A 55 -7.232 1.301 -5.104 1.00 0.00 C ATOM 817 CD2 PHE A 55 -6.050 -0.513 -6.031 1.00 0.00 C ATOM 818 CE1 PHE A 55 -8.421 0.524 -5.099 1.00 0.00 C ATOM 819 CE2 PHE A 55 -7.239 -1.290 -6.027 1.00 0.00 C ATOM 820 CZ PHE A 55 -8.399 -0.755 -5.561 1.00 0.00 C ATOM 0 H PHE A 55 -4.611 4.241 -5.738 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.948 1.976 -7.555 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.934 0.936 -5.471 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -4.793 2.256 -4.702 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -7.249 2.317 -4.738 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.128 -0.938 -6.400 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -9.342 0.949 -4.728 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -7.222 -2.306 -6.394 1.00 0.00 H new ATOM 0 HZ PHE A 55 -9.303 -1.346 -5.558 1.00 0.00 H new ATOM 830 N SER A 56 -6.250 1.805 -8.474 1.00 0.00 N ATOM 831 CA SER A 56 -7.434 1.972 -9.299 1.00 0.00 C ATOM 832 C SER A 56 -8.664 1.437 -8.564 1.00 0.00 C ATOM 833 O SER A 56 -8.912 0.232 -8.558 1.00 0.00 O ATOM 834 CB SER A 56 -7.272 1.266 -10.646 1.00 0.00 C ATOM 835 OG SER A 56 -6.943 -0.112 -10.491 1.00 0.00 O ATOM 0 H SER A 56 -5.675 0.997 -8.712 1.00 0.00 H new ATOM 0 HA SER A 56 -7.568 3.036 -9.492 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.197 1.356 -11.216 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.492 1.762 -11.224 1.00 0.00 H new ATOM 0 HG SER A 56 -7.478 -0.497 -9.766 1.00 0.00 H new ATOM 841 N ASN A 57 -9.401 2.358 -7.961 1.00 0.00 N ATOM 842 CA ASN A 57 -10.740 2.052 -7.485 1.00 0.00 C ATOM 843 C ASN A 57 -11.751 2.355 -8.592 1.00 0.00 C ATOM 844 O ASN A 57 -11.691 3.410 -9.221 1.00 0.00 O ATOM 845 CB ASN A 57 -11.100 2.906 -6.268 1.00 0.00 C ATOM 846 CG ASN A 57 -12.304 2.322 -5.526 1.00 0.00 C ATOM 847 OD1 ASN A 57 -12.658 1.164 -5.677 1.00 0.00 O ATOM 848 ND2 ASN A 57 -12.913 3.186 -4.719 1.00 0.00 N ATOM 0 H ASN A 57 -9.097 3.317 -7.791 1.00 0.00 H new ATOM 0 HA ASN A 57 -10.767 0.999 -7.206 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.245 2.963 -5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -11.323 3.924 -6.587 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -13.728 2.893 -4.180 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -12.565 4.141 -4.639 1.00 0.00 H new ATOM 855 N ARG A 58 -12.658 1.410 -8.796 1.00 0.00 N ATOM 856 CA ARG A 58 -13.479 1.407 -9.995 1.00 0.00 C ATOM 857 C ARG A 58 -14.963 1.411 -9.622 1.00 0.00 C ATOM 858 O ARG A 58 -15.808 1.012 -10.421 1.00 0.00 O ATOM 859 CB ARG A 58 -13.181 0.183 -10.863 1.00 0.00 C ATOM 860 CG ARG A 58 -11.845 0.339 -11.591 1.00 0.00 C ATOM 861 CD ARG A 58 -11.111 -1.001 -11.683 1.00 0.00 C ATOM 862 NE ARG A 58 -10.399 -1.275 -10.415 1.00 0.00 N ATOM 863 CZ ARG A 58 -9.657 -2.369 -10.191 1.00 0.00 C ATOM 864 NH1 ARG A 58 -9.595 -3.337 -11.116 1.00 0.00 N ATOM 865 NH2 ARG A 58 -8.977 -2.494 -9.043 1.00 0.00 N ATOM 0 H ARG A 58 -12.842 0.641 -8.151 1.00 0.00 H new ATOM 0 HA ARG A 58 -13.241 2.307 -10.562 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -13.158 -0.712 -10.241 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -13.981 0.045 -11.590 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -12.016 0.733 -12.593 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -11.223 1.063 -11.065 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -11.822 -1.801 -11.891 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -10.402 -0.981 -12.511 1.00 0.00 H new ATOM 0 HE ARG A 58 -10.478 -0.589 -9.665 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -10.112 -3.241 -11.990 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.031 -4.169 -10.946 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -9.024 -1.757 -8.340 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.413 -3.326 -8.873 1.00 0.00 H new ATOM 879 N GLU A 59 -15.234 1.867 -8.408 1.00 0.00 N ATOM 880 CA GLU A 59 -16.602 1.935 -7.922 1.00 0.00 C ATOM 881 C GLU A 59 -17.289 0.577 -8.077 1.00 0.00 C ATOM 882 O GLU A 59 -18.099 0.387 -8.983 1.00 0.00 O ATOM 883 CB GLU A 59 -17.386 3.032 -8.645 1.00 0.00 C ATOM 884 CG GLU A 59 -18.735 3.279 -7.967 1.00 0.00 C ATOM 885 CD GLU A 59 -18.560 4.074 -6.671 1.00 0.00 C ATOM 886 OE1 GLU A 59 -18.368 3.418 -5.625 1.00 0.00 O ATOM 887 OE2 GLU A 59 -18.621 5.319 -6.756 1.00 0.00 O ATOM 0 H GLU A 59 -14.530 2.193 -7.746 1.00 0.00 H new ATOM 0 HA GLU A 59 -16.578 2.189 -6.862 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -16.805 3.954 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -17.544 2.746 -9.685 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -19.393 3.823 -8.645 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -19.217 2.326 -7.751 1.00 0.00 H new ATOM 894 N GLY A 60 -16.939 -0.333 -7.180 1.00 0.00 N ATOM 895 CA GLY A 60 -17.495 -1.675 -7.219 1.00 0.00 C ATOM 896 C GLY A 60 -16.921 -2.539 -6.095 1.00 0.00 C ATOM 897 O GLY A 60 -17.668 -3.087 -5.285 1.00 0.00 O ATOM 0 H GLY A 60 -16.277 -0.167 -6.422 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -18.580 -1.626 -7.127 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -17.278 -2.135 -8.183 1.00 0.00 H new ATOM 901 N ARG A 61 -15.600 -2.635 -6.080 1.00 0.00 N ATOM 902 CA ARG A 61 -14.910 -3.316 -4.998 1.00 0.00 C ATOM 903 C ARG A 61 -14.923 -2.454 -3.734 1.00 0.00 C ATOM 904 O ARG A 61 -15.480 -2.852 -2.712 1.00 0.00 O ATOM 905 CB ARG A 61 -13.462 -3.629 -5.378 1.00 0.00 C ATOM 906 CG ARG A 61 -13.401 -4.675 -6.493 1.00 0.00 C ATOM 907 CD ARG A 61 -13.485 -6.092 -5.921 1.00 0.00 C ATOM 908 NE ARG A 61 -13.483 -7.083 -7.020 1.00 0.00 N ATOM 909 CZ ARG A 61 -12.391 -7.432 -7.715 1.00 0.00 C ATOM 910 NH1 ARG A 61 -11.202 -6.896 -7.408 1.00 0.00 N ATOM 911 NH2 ARG A 61 -12.489 -8.317 -8.716 1.00 0.00 N ATOM 0 H ARG A 61 -14.988 -2.252 -6.801 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.434 -4.253 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.962 -2.716 -5.703 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -12.923 -3.993 -4.503 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -14.220 -4.513 -7.194 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.474 -4.560 -7.054 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.642 -6.274 -5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -14.391 -6.199 -5.325 1.00 0.00 H new ATOM 0 HE ARG A 61 -14.368 -7.528 -7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.128 -6.223 -6.646 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -10.371 -7.161 -7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.394 -8.725 -8.949 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.658 -8.583 -9.245 1.00 0.00 H new ATOM 925 N LEU A 62 -14.304 -1.288 -3.846 1.00 0.00 N ATOM 926 CA LEU A 62 -14.385 -0.293 -2.789 1.00 0.00 C ATOM 927 C LEU A 62 -15.222 0.892 -3.274 1.00 0.00 C ATOM 928 O LEU A 62 -15.327 1.133 -4.476 1.00 0.00 O ATOM 929 CB LEU A 62 -12.985 0.097 -2.312 1.00 0.00 C ATOM 930 CG LEU A 62 -12.036 -1.062 -1.999 1.00 0.00 C ATOM 931 CD1 LEU A 62 -10.580 -0.659 -2.241 1.00 0.00 C ATOM 932 CD2 LEU A 62 -12.258 -1.585 -0.579 1.00 0.00 C ATOM 0 H LEU A 62 -13.744 -1.010 -4.652 1.00 0.00 H new ATOM 0 HA LEU A 62 -14.891 -0.705 -1.916 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -12.523 0.722 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -13.086 0.710 -1.416 1.00 0.00 H new ATOM 0 HG LEU A 62 -12.261 -1.881 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -9.927 -1.501 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -10.450 -0.373 -3.285 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -10.325 0.185 -1.600 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -11.571 -2.408 -0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -12.077 -0.783 0.137 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -13.284 -1.937 -0.477 1.00 0.00 H new ATOM 944 N PRO A 63 -15.813 1.620 -2.288 1.00 0.00 N ATOM 945 CA PRO A 63 -16.668 2.752 -2.604 1.00 0.00 C ATOM 946 C PRO A 63 -15.839 3.959 -3.046 1.00 0.00 C ATOM 947 O PRO A 63 -14.734 4.173 -2.550 1.00 0.00 O ATOM 948 CB PRO A 63 -17.463 3.010 -1.334 1.00 0.00 C ATOM 949 CG PRO A 63 -16.698 2.320 -0.216 1.00 0.00 C ATOM 950 CD PRO A 63 -15.683 1.386 -0.853 1.00 0.00 C ATOM 0 HA PRO A 63 -17.335 2.554 -3.443 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -17.556 4.079 -1.142 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -18.474 2.612 -1.419 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -16.197 3.055 0.414 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -17.380 1.762 0.425 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -14.673 1.603 -0.506 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -15.889 0.346 -0.601 1.00 0.00 H new ATOM 958 N SER A 64 -16.404 4.717 -3.974 1.00 0.00 N ATOM 959 CA SER A 64 -15.654 5.767 -4.641 1.00 0.00 C ATOM 960 C SER A 64 -16.506 7.034 -4.743 1.00 0.00 C ATOM 961 O SER A 64 -17.528 7.155 -4.070 1.00 0.00 O ATOM 962 CB SER A 64 -15.199 5.321 -6.032 1.00 0.00 C ATOM 963 OG SER A 64 -14.181 6.168 -6.558 1.00 0.00 O ATOM 0 H SER A 64 -17.373 4.625 -4.280 1.00 0.00 H new ATOM 0 HA SER A 64 -14.764 5.981 -4.049 1.00 0.00 H new ATOM 0 HB2 SER A 64 -14.828 4.297 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 64 -16.053 5.317 -6.709 1.00 0.00 H new ATOM 0 HG SER A 64 -13.917 5.849 -7.446 1.00 0.00 H new ATOM 969 N ALA A 65 -16.052 7.947 -5.590 1.00 0.00 N ATOM 970 CA ALA A 65 -16.824 9.143 -5.884 1.00 0.00 C ATOM 971 C ALA A 65 -16.897 10.019 -4.632 1.00 0.00 C ATOM 972 O ALA A 65 -16.329 9.676 -3.596 1.00 0.00 O ATOM 973 CB ALA A 65 -18.208 8.744 -6.398 1.00 0.00 C ATOM 0 H ALA A 65 -15.160 7.883 -6.081 1.00 0.00 H new ATOM 0 HA ALA A 65 -16.342 9.728 -6.667 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -18.787 9.641 -6.618 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -18.102 8.149 -7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -18.723 8.157 -5.637 1.00 0.00 H new ATOM 979 N SER A 66 -17.600 11.134 -4.769 1.00 0.00 N ATOM 980 CA SER A 66 -17.769 12.053 -3.656 1.00 0.00 C ATOM 981 C SER A 66 -16.409 12.593 -3.212 1.00 0.00 C ATOM 982 O SER A 66 -16.207 12.883 -2.034 1.00 0.00 O ATOM 983 CB SER A 66 -18.479 11.373 -2.484 1.00 0.00 C ATOM 984 OG SER A 66 -19.619 10.630 -2.908 1.00 0.00 O ATOM 0 H SER A 66 -18.059 11.422 -5.633 1.00 0.00 H new ATOM 0 HA SER A 66 -18.391 12.884 -3.990 1.00 0.00 H new ATOM 0 HB2 SER A 66 -17.782 10.708 -1.975 1.00 0.00 H new ATOM 0 HB3 SER A 66 -18.787 12.127 -1.760 1.00 0.00 H new ATOM 0 HG SER A 66 -20.043 10.210 -2.131 1.00 0.00 H new ATOM 990 N GLY A 67 -15.511 12.712 -4.179 1.00 0.00 N ATOM 991 CA GLY A 67 -14.224 13.341 -3.932 1.00 0.00 C ATOM 992 C GLY A 67 -13.261 12.368 -3.249 1.00 0.00 C ATOM 993 O GLY A 67 -12.208 12.773 -2.757 1.00 0.00 O ATOM 0 H GLY A 67 -15.649 12.384 -5.135 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -13.795 13.682 -4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -14.360 14.223 -3.306 1.00 0.00 H new ATOM 997 N ARG A 68 -13.655 11.103 -3.240 1.00 0.00 N ATOM 998 CA ARG A 68 -12.891 10.085 -2.539 1.00 0.00 C ATOM 999 C ARG A 68 -11.804 9.515 -3.452 1.00 0.00 C ATOM 1000 O ARG A 68 -12.053 9.247 -4.627 1.00 0.00 O ATOM 1001 CB ARG A 68 -13.795 8.948 -2.062 1.00 0.00 C ATOM 1002 CG ARG A 68 -13.046 8.013 -1.110 1.00 0.00 C ATOM 1003 CD ARG A 68 -14.000 7.005 -0.467 1.00 0.00 C ATOM 1004 NE ARG A 68 -14.801 7.666 0.587 1.00 0.00 N ATOM 1005 CZ ARG A 68 -15.854 7.104 1.194 1.00 0.00 C ATOM 1006 NH1 ARG A 68 -16.239 5.865 0.858 1.00 0.00 N ATOM 1007 NH2 ARG A 68 -16.523 7.779 2.139 1.00 0.00 N ATOM 0 H ARG A 68 -14.494 10.760 -3.707 1.00 0.00 H new ATOM 0 HA ARG A 68 -12.431 10.556 -1.670 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -14.669 9.361 -1.559 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -14.159 8.383 -2.921 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -12.265 7.483 -1.655 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -12.552 8.598 -0.334 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -14.660 6.582 -1.225 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -13.434 6.178 -0.039 1.00 0.00 H new ATOM 0 HE ARG A 68 -14.534 8.609 0.869 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -15.730 5.350 0.140 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -17.041 5.437 1.321 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -16.230 8.722 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -17.325 7.350 2.601 1.00 0.00 H new ATOM 1021 N THR A 69 -10.622 9.345 -2.878 1.00 0.00 N ATOM 1022 CA THR A 69 -9.521 8.729 -3.599 1.00 0.00 C ATOM 1023 C THR A 69 -8.870 7.638 -2.747 1.00 0.00 C ATOM 1024 O THR A 69 -9.001 7.639 -1.524 1.00 0.00 O ATOM 1025 CB THR A 69 -8.550 9.836 -4.015 1.00 0.00 C ATOM 1026 OG1 THR A 69 -9.393 10.862 -4.530 1.00 0.00 O ATOM 1027 CG2 THR A 69 -7.681 9.434 -5.209 1.00 0.00 C ATOM 0 H THR A 69 -10.403 9.623 -1.922 1.00 0.00 H new ATOM 0 HA THR A 69 -9.870 8.227 -4.501 1.00 0.00 H new ATOM 0 HB THR A 69 -7.911 10.094 -3.171 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.845 11.620 -4.822 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.010 10.255 -5.463 1.00 0.00 H new ATOM 0 HG22 THR A 69 -7.094 8.552 -4.951 1.00 0.00 H new ATOM 0 HG23 THR A 69 -8.319 9.208 -6.064 1.00 0.00 H new ATOM 1035 N TRP A 70 -8.182 6.733 -3.427 1.00 0.00 N ATOM 1036 CA TRP A 70 -7.635 5.559 -2.768 1.00 0.00 C ATOM 1037 C TRP A 70 -6.160 5.441 -3.160 1.00 0.00 C ATOM 1038 O TRP A 70 -5.802 5.661 -4.316 1.00 0.00 O ATOM 1039 CB TRP A 70 -8.447 4.308 -3.112 1.00 0.00 C ATOM 1040 CG TRP A 70 -9.887 4.340 -2.597 1.00 0.00 C ATOM 1041 CD1 TRP A 70 -10.915 5.062 -3.066 1.00 0.00 C ATOM 1042 CD2 TRP A 70 -10.421 3.585 -1.490 1.00 0.00 C ATOM 1043 NE1 TRP A 70 -12.067 4.828 -2.344 1.00 0.00 N ATOM 1044 CE2 TRP A 70 -11.757 3.901 -1.355 1.00 0.00 C ATOM 1045 CE3 TRP A 70 -9.795 2.665 -0.630 1.00 0.00 C ATOM 1046 CZ2 TRP A 70 -12.582 3.343 -0.371 1.00 0.00 C ATOM 1047 CZ3 TRP A 70 -10.633 2.116 0.348 1.00 0.00 C ATOM 1048 CH2 TRP A 70 -11.980 2.424 0.497 1.00 0.00 C ATOM 0 H TRP A 70 -7.991 6.789 -4.427 1.00 0.00 H new ATOM 0 HA TRP A 70 -7.701 5.659 -1.685 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -8.462 4.183 -4.195 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -7.943 3.435 -2.698 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -10.849 5.741 -3.903 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -12.979 5.256 -2.506 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -8.751 2.403 -0.717 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -13.626 3.607 -0.286 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -10.202 1.403 1.035 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -12.560 1.956 1.279 1.00 0.00 H new ATOM 1059 N ARG A 71 -5.345 5.094 -2.175 1.00 0.00 N ATOM 1060 CA ARG A 71 -3.944 4.807 -2.429 1.00 0.00 C ATOM 1061 C ARG A 71 -3.549 3.476 -1.786 1.00 0.00 C ATOM 1062 O ARG A 71 -4.125 3.076 -0.776 1.00 0.00 O ATOM 1063 CB ARG A 71 -3.046 5.917 -1.880 1.00 0.00 C ATOM 1064 CG ARG A 71 -3.277 7.231 -2.628 1.00 0.00 C ATOM 1065 CD ARG A 71 -1.973 8.017 -2.774 1.00 0.00 C ATOM 1066 NE ARG A 71 -2.237 9.323 -3.418 1.00 0.00 N ATOM 1067 CZ ARG A 71 -1.280 10.169 -3.821 1.00 0.00 C ATOM 1068 NH1 ARG A 71 0.010 9.866 -3.622 1.00 0.00 N ATOM 1069 NH2 ARG A 71 -1.612 11.319 -4.424 1.00 0.00 N ATOM 0 H ARG A 71 -5.628 5.005 -1.199 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.809 4.747 -3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -3.246 6.059 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -2.001 5.622 -1.971 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.693 7.024 -3.614 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.011 7.834 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -1.520 8.170 -1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -1.260 7.447 -3.369 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.209 9.596 -3.564 1.00 0.00 H new ATOM 0 HH11 ARG A 71 0.263 8.991 -3.163 1.00 0.00 H new ATOM 0 HH12 ARG A 71 0.739 10.511 -3.929 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.594 11.550 -4.576 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -0.883 11.963 -4.731 1.00 0.00 H new ATOM 1083 N GLU A 72 -2.569 2.828 -2.398 1.00 0.00 N ATOM 1084 CA GLU A 72 -2.112 1.535 -1.917 1.00 0.00 C ATOM 1085 C GLU A 72 -0.771 1.682 -1.195 1.00 0.00 C ATOM 1086 O GLU A 72 -0.085 2.691 -1.351 1.00 0.00 O ATOM 1087 CB GLU A 72 -2.010 0.527 -3.063 1.00 0.00 C ATOM 1088 CG GLU A 72 -1.044 1.021 -4.142 1.00 0.00 C ATOM 1089 CD GLU A 72 -0.417 -0.154 -4.896 1.00 0.00 C ATOM 1090 OE1 GLU A 72 0.581 -0.696 -4.374 1.00 0.00 O ATOM 1091 OE2 GLU A 72 -0.950 -0.484 -5.978 1.00 0.00 O ATOM 0 H GLU A 72 -2.079 3.174 -3.223 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.846 1.154 -1.207 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -1.670 -0.434 -2.678 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.996 0.365 -3.499 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.575 1.666 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.260 1.624 -3.685 1.00 0.00 H new ATOM 1098 N ALA A 73 -0.438 0.660 -0.419 1.00 0.00 N ATOM 1099 CA ALA A 73 0.858 0.610 0.237 1.00 0.00 C ATOM 1100 C ALA A 73 1.185 -0.840 0.600 1.00 0.00 C ATOM 1101 O ALA A 73 0.286 -1.633 0.875 1.00 0.00 O ATOM 1102 CB ALA A 73 0.846 1.529 1.461 1.00 0.00 C ATOM 0 H ALA A 73 -1.043 -0.139 -0.230 1.00 0.00 H new ATOM 0 HA ALA A 73 1.641 0.967 -0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.818 1.492 1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 73 0.638 2.552 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.074 1.199 2.156 1.00 0.00 H new ATOM 1108 N ASP A 74 2.475 -1.142 0.589 1.00 0.00 N ATOM 1109 CA ASP A 74 2.923 -2.515 0.748 1.00 0.00 C ATOM 1110 C ASP A 74 2.834 -2.908 2.224 1.00 0.00 C ATOM 1111 O ASP A 74 3.148 -2.108 3.103 1.00 0.00 O ATOM 1112 CB ASP A 74 4.378 -2.674 0.304 1.00 0.00 C ATOM 1113 CG ASP A 74 4.658 -2.278 -1.148 1.00 0.00 C ATOM 1114 OD1 ASP A 74 3.880 -1.452 -1.671 1.00 0.00 O ATOM 1115 OD2 ASP A 74 5.645 -2.811 -1.701 1.00 0.00 O ATOM 0 H ASP A 74 3.224 -0.460 0.472 1.00 0.00 H new ATOM 0 HA ASP A 74 2.286 -3.151 0.133 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.009 -2.072 0.957 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.674 -3.714 0.445 1.00 0.00 H new ATOM 1120 N ILE A 75 2.403 -4.141 2.450 1.00 0.00 N ATOM 1121 CA ILE A 75 2.469 -4.724 3.779 1.00 0.00 C ATOM 1122 C ILE A 75 3.566 -5.790 3.809 1.00 0.00 C ATOM 1123 O ILE A 75 3.635 -6.641 2.924 1.00 0.00 O ATOM 1124 CB ILE A 75 1.094 -5.244 4.204 1.00 0.00 C ATOM 1125 CG1 ILE A 75 0.049 -4.127 4.165 1.00 0.00 C ATOM 1126 CG2 ILE A 75 1.163 -5.916 5.577 1.00 0.00 C ATOM 1127 CD1 ILE A 75 0.419 -2.996 5.127 1.00 0.00 C ATOM 0 H ILE A 75 2.007 -4.752 1.735 1.00 0.00 H new ATOM 0 HA ILE A 75 2.739 -3.967 4.515 1.00 0.00 H new ATOM 0 HB ILE A 75 0.780 -6.004 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.032 -3.735 3.151 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.929 -4.529 4.430 1.00 0.00 H new ATOM 0 HG21 ILE A 75 0.173 -6.277 5.856 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.857 -6.756 5.537 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.508 -5.195 6.318 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -0.340 -2.215 5.080 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.475 -3.386 6.143 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.386 -2.580 4.844 1.00 0.00 H new ATOM 1139 N ASN A 76 4.397 -5.709 4.838 1.00 0.00 N ATOM 1140 CA ASN A 76 5.417 -6.721 5.058 1.00 0.00 C ATOM 1141 C ASN A 76 6.449 -6.651 3.931 1.00 0.00 C ATOM 1142 O ASN A 76 7.537 -6.106 4.113 1.00 0.00 O ATOM 1143 CB ASN A 76 4.809 -8.125 5.056 1.00 0.00 C ATOM 1144 CG ASN A 76 4.476 -8.580 6.479 1.00 0.00 C ATOM 1145 OD1 ASN A 76 3.698 -7.734 7.149 1.00 0.00 O flip ATOM 1146 ND2 ASN A 76 4.897 -9.629 6.937 1.00 0.00 N flip ATOM 0 H ASN A 76 4.385 -4.958 5.529 1.00 0.00 H new ATOM 0 HA ASN A 76 5.879 -6.530 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 76 3.905 -8.133 4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.507 -8.827 4.600 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.490 -10.232 6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 76 4.656 -9.903 7.889 1.00 0.00 H new ATOM 1153 N TYR A 77 6.072 -7.211 2.791 1.00 0.00 N ATOM 1154 CA TYR A 77 7.042 -7.531 1.757 1.00 0.00 C ATOM 1155 C TYR A 77 8.371 -7.976 2.372 1.00 0.00 C ATOM 1156 O TYR A 77 9.280 -7.165 2.548 1.00 0.00 O ATOM 1157 CB TYR A 77 7.265 -6.236 0.973 1.00 0.00 C ATOM 1158 CG TYR A 77 8.050 -6.423 -0.327 1.00 0.00 C ATOM 1159 CD1 TYR A 77 7.412 -6.896 -1.456 1.00 0.00 C ATOM 1160 CD2 TYR A 77 9.395 -6.119 -0.370 1.00 0.00 C ATOM 1161 CE1 TYR A 77 8.151 -7.072 -2.680 1.00 0.00 C ATOM 1162 CE2 TYR A 77 10.134 -6.295 -1.594 1.00 0.00 C ATOM 1163 CZ TYR A 77 9.475 -6.763 -2.688 1.00 0.00 C ATOM 1164 OH TYR A 77 10.173 -6.929 -3.844 1.00 0.00 O ATOM 0 H TYR A 77 5.108 -7.451 2.560 1.00 0.00 H new ATOM 0 HA TYR A 77 6.679 -8.343 1.128 1.00 0.00 H new ATOM 0 HB2 TYR A 77 6.297 -5.793 0.740 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.796 -5.526 1.607 1.00 0.00 H new ATOM 0 HD1 TYR A 77 6.359 -7.134 -1.422 1.00 0.00 H new ATOM 0 HD2 TYR A 77 9.894 -5.749 0.514 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.664 -7.441 -3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 77 11.187 -6.061 -1.642 1.00 0.00 H new ATOM 0 HH TYR A 77 9.683 -7.535 -4.438 1.00 0.00 H new ATOM 1174 N VAL A 78 8.443 -9.262 2.681 1.00 0.00 N ATOM 1175 CA VAL A 78 9.655 -9.830 3.244 1.00 0.00 C ATOM 1176 C VAL A 78 10.348 -10.693 2.188 1.00 0.00 C ATOM 1177 O VAL A 78 11.567 -10.635 2.036 1.00 0.00 O ATOM 1178 CB VAL A 78 9.326 -10.601 4.524 1.00 0.00 C ATOM 1179 CG1 VAL A 78 10.571 -11.292 5.084 1.00 0.00 C ATOM 1180 CG2 VAL A 78 8.691 -9.683 5.570 1.00 0.00 C ATOM 0 H VAL A 78 7.681 -9.927 2.552 1.00 0.00 H new ATOM 0 HA VAL A 78 10.351 -9.040 3.526 1.00 0.00 H new ATOM 0 HB VAL A 78 8.600 -11.373 4.272 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.309 -11.833 5.994 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.962 -11.992 4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.330 -10.544 5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 78 8.467 -10.256 6.470 1.00 0.00 H new ATOM 0 HG22 VAL A 78 9.383 -8.878 5.816 1.00 0.00 H new ATOM 0 HG23 VAL A 78 7.769 -9.260 5.171 1.00 0.00 H new ATOM 1190 N SER A 79 9.541 -11.473 1.485 1.00 0.00 N ATOM 1191 CA SER A 79 9.999 -12.122 0.268 1.00 0.00 C ATOM 1192 C SER A 79 10.138 -11.091 -0.854 1.00 0.00 C ATOM 1193 O SER A 79 9.569 -10.003 -0.776 1.00 0.00 O ATOM 1194 CB SER A 79 9.043 -13.239 -0.154 1.00 0.00 C ATOM 1195 OG SER A 79 9.574 -14.022 -1.220 1.00 0.00 O ATOM 0 H SER A 79 8.572 -11.671 1.735 1.00 0.00 H new ATOM 0 HA SER A 79 10.973 -12.570 0.465 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.838 -13.883 0.701 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.092 -12.805 -0.462 1.00 0.00 H new ATOM 0 HG SER A 79 8.935 -14.725 -1.459 1.00 0.00 H new ATOM 1201 N GLY A 80 10.898 -11.469 -1.871 1.00 0.00 N ATOM 1202 CA GLY A 80 11.152 -10.575 -2.988 1.00 0.00 C ATOM 1203 C GLY A 80 9.940 -10.504 -3.920 1.00 0.00 C ATOM 1204 O GLY A 80 8.878 -10.024 -3.527 1.00 0.00 O ATOM 0 H GLY A 80 11.346 -12.382 -1.945 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.387 -9.578 -2.615 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.023 -10.921 -3.544 1.00 0.00 H new ATOM 1208 N PHE A 81 10.140 -10.990 -5.136 1.00 0.00 N ATOM 1209 CA PHE A 81 9.071 -11.007 -6.120 1.00 0.00 C ATOM 1210 C PHE A 81 8.450 -9.618 -6.279 1.00 0.00 C ATOM 1211 O PHE A 81 8.905 -8.656 -5.663 1.00 0.00 O ATOM 1212 CB PHE A 81 8.003 -11.974 -5.603 1.00 0.00 C ATOM 1213 CG PHE A 81 8.437 -13.441 -5.609 1.00 0.00 C ATOM 1214 CD1 PHE A 81 9.075 -13.966 -4.529 1.00 0.00 C ATOM 1215 CD2 PHE A 81 8.184 -14.221 -6.694 1.00 0.00 C ATOM 1216 CE1 PHE A 81 9.478 -15.327 -4.534 1.00 0.00 C ATOM 1217 CE2 PHE A 81 8.587 -15.582 -6.700 1.00 0.00 C ATOM 1218 CZ PHE A 81 9.225 -16.107 -5.619 1.00 0.00 C ATOM 0 H PHE A 81 11.026 -11.375 -5.462 1.00 0.00 H new ATOM 0 HA PHE A 81 9.463 -11.314 -7.090 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.732 -11.690 -4.586 1.00 0.00 H new ATOM 0 HB3 PHE A 81 7.106 -11.869 -6.213 1.00 0.00 H new ATOM 0 HD1 PHE A 81 9.275 -13.347 -3.667 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.676 -13.805 -7.551 1.00 0.00 H new ATOM 0 HE1 PHE A 81 9.985 -15.743 -3.676 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.387 -16.201 -7.562 1.00 0.00 H new ATOM 0 HZ PHE A 81 9.530 -17.143 -5.623 1.00 0.00 H new ATOM 1228 N ARG A 82 7.419 -9.557 -7.110 1.00 0.00 N ATOM 1229 CA ARG A 82 6.710 -8.309 -7.332 1.00 0.00 C ATOM 1230 C ARG A 82 5.693 -8.070 -6.214 1.00 0.00 C ATOM 1231 O ARG A 82 5.502 -8.925 -5.350 1.00 0.00 O ATOM 1232 CB ARG A 82 5.983 -8.321 -8.678 1.00 0.00 C ATOM 1233 CG ARG A 82 6.893 -7.809 -9.797 1.00 0.00 C ATOM 1234 CD ARG A 82 6.990 -6.282 -9.769 1.00 0.00 C ATOM 1235 NE ARG A 82 5.640 -5.687 -9.885 1.00 0.00 N ATOM 1236 CZ ARG A 82 4.892 -5.733 -10.996 1.00 0.00 C ATOM 1237 NH1 ARG A 82 5.428 -6.156 -12.148 1.00 0.00 N ATOM 1238 NH2 ARG A 82 3.606 -5.356 -10.953 1.00 0.00 N ATOM 0 H ARG A 82 7.058 -10.352 -7.637 1.00 0.00 H new ATOM 0 HA ARG A 82 7.447 -7.506 -7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.652 -9.334 -8.908 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.089 -7.700 -8.618 1.00 0.00 H new ATOM 0 HG2 ARG A 82 7.887 -8.242 -9.689 1.00 0.00 H new ATOM 0 HG3 ARG A 82 6.507 -8.135 -10.763 1.00 0.00 H new ATOM 0 HD2 ARG A 82 7.462 -5.956 -8.842 1.00 0.00 H new ATOM 0 HD3 ARG A 82 7.621 -5.934 -10.587 1.00 0.00 H new ATOM 0 HE ARG A 82 5.255 -5.212 -9.068 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.406 -6.443 -12.180 1.00 0.00 H new ATOM 0 HH12 ARG A 82 4.858 -6.191 -12.993 1.00 0.00 H new ATOM 0 HH21 ARG A 82 3.198 -5.035 -10.075 1.00 0.00 H new ATOM 0 HH22 ARG A 82 3.036 -5.391 -11.798 1.00 0.00 H new ATOM 1252 N ASN A 83 5.068 -6.903 -6.265 1.00 0.00 N ATOM 1253 CA ASN A 83 4.027 -6.569 -5.308 1.00 0.00 C ATOM 1254 C ASN A 83 2.995 -7.698 -5.268 1.00 0.00 C ATOM 1255 O ASN A 83 2.753 -8.359 -6.277 1.00 0.00 O ATOM 1256 CB ASN A 83 3.304 -5.281 -5.708 1.00 0.00 C ATOM 1257 CG ASN A 83 2.816 -5.354 -7.156 1.00 0.00 C ATOM 1258 OD1 ASN A 83 3.566 -5.170 -8.101 1.00 0.00 O ATOM 1259 ND2 ASN A 83 1.521 -5.631 -7.278 1.00 0.00 N ATOM 0 H ASN A 83 5.263 -6.177 -6.954 1.00 0.00 H new ATOM 0 HA ASN A 83 4.496 -6.432 -4.334 1.00 0.00 H new ATOM 0 HB2 ASN A 83 2.457 -5.114 -5.043 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.976 -4.431 -5.589 1.00 0.00 H new ATOM 0 HD21 ASN A 83 1.099 -5.701 -8.204 1.00 0.00 H new ATOM 0 HD22 ASN A 83 0.949 -5.774 -6.445 1.00 0.00 H new ATOM 1266 N ALA A 84 2.415 -7.884 -4.092 1.00 0.00 N ATOM 1267 CA ALA A 84 1.416 -8.923 -3.906 1.00 0.00 C ATOM 1268 C ALA A 84 0.447 -8.502 -2.800 1.00 0.00 C ATOM 1269 O ALA A 84 -0.741 -8.305 -3.052 1.00 0.00 O ATOM 1270 CB ALA A 84 2.111 -10.251 -3.597 1.00 0.00 C ATOM 0 H ALA A 84 2.618 -7.333 -3.258 1.00 0.00 H new ATOM 0 HA ALA A 84 0.835 -9.063 -4.818 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.362 -11.030 -3.458 1.00 0.00 H new ATOM 0 HB2 ALA A 84 2.765 -10.521 -4.426 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.702 -10.149 -2.687 1.00 0.00 H new ATOM 1276 N ASP A 85 0.990 -8.376 -1.598 1.00 0.00 N ATOM 1277 CA ASP A 85 0.167 -8.111 -0.430 1.00 0.00 C ATOM 1278 C ASP A 85 0.045 -6.599 -0.230 1.00 0.00 C ATOM 1279 O ASP A 85 1.049 -5.908 -0.060 1.00 0.00 O ATOM 1280 CB ASP A 85 0.795 -8.705 0.832 1.00 0.00 C ATOM 1281 CG ASP A 85 1.009 -10.220 0.796 1.00 0.00 C ATOM 1282 OD1 ASP A 85 2.037 -10.634 0.218 1.00 0.00 O ATOM 1283 OD2 ASP A 85 0.140 -10.929 1.348 1.00 0.00 O ATOM 0 H ASP A 85 1.989 -8.452 -1.408 1.00 0.00 H new ATOM 0 HA ASP A 85 -0.810 -8.566 -0.595 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.757 -8.221 1.003 1.00 0.00 H new ATOM 0 HB3 ASP A 85 0.160 -8.463 1.684 1.00 0.00 H new ATOM 1288 N ARG A 86 -1.193 -6.128 -0.257 1.00 0.00 N ATOM 1289 CA ARG A 86 -1.450 -4.699 -0.314 1.00 0.00 C ATOM 1290 C ARG A 86 -2.353 -4.276 0.847 1.00 0.00 C ATOM 1291 O ARG A 86 -3.120 -5.083 1.367 1.00 0.00 O ATOM 1292 CB ARG A 86 -2.115 -4.312 -1.636 1.00 0.00 C ATOM 1293 CG ARG A 86 -1.232 -4.694 -2.826 1.00 0.00 C ATOM 1294 CD ARG A 86 -0.103 -3.679 -3.019 1.00 0.00 C ATOM 1295 NE ARG A 86 1.161 -4.219 -2.471 1.00 0.00 N ATOM 1296 CZ ARG A 86 2.380 -3.818 -2.859 1.00 0.00 C ATOM 1297 NH1 ARG A 86 2.518 -2.702 -3.587 1.00 0.00 N ATOM 1298 NH2 ARG A 86 3.460 -4.533 -2.518 1.00 0.00 N ATOM 0 H ARG A 86 -2.030 -6.711 -0.240 1.00 0.00 H new ATOM 0 HA ARG A 86 -0.491 -4.186 -0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -3.081 -4.810 -1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.307 -3.239 -1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.810 -5.686 -2.667 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.838 -4.746 -3.731 1.00 0.00 H new ATOM 0 HD2 ARG A 86 0.017 -3.453 -4.079 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.355 -2.743 -2.520 1.00 0.00 H new ATOM 0 HE ARG A 86 1.101 -4.941 -1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 86 1.696 -2.157 -3.846 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.446 -2.397 -3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 86 3.355 -5.382 -1.963 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.388 -4.228 -2.813 1.00 0.00 H new ATOM 1312 N LEU A 87 -2.231 -3.010 1.218 1.00 0.00 N ATOM 1313 CA LEU A 87 -3.263 -2.358 2.005 1.00 0.00 C ATOM 1314 C LEU A 87 -3.680 -1.058 1.315 1.00 0.00 C ATOM 1315 O LEU A 87 -2.832 -0.255 0.929 1.00 0.00 O ATOM 1316 CB LEU A 87 -2.794 -2.164 3.449 1.00 0.00 C ATOM 1317 CG LEU A 87 -3.735 -1.373 4.359 1.00 0.00 C ATOM 1318 CD1 LEU A 87 -3.813 -2.007 5.750 1.00 0.00 C ATOM 1319 CD2 LEU A 87 -3.328 0.100 4.423 1.00 0.00 C ATOM 0 H LEU A 87 -1.433 -2.418 0.988 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.151 -2.987 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -2.632 -3.146 3.893 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.828 -1.659 3.432 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.736 -1.411 3.930 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.488 -1.426 6.378 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -4.186 -3.028 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.820 -2.020 6.200 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.014 0.639 5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.314 0.181 4.815 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.366 0.532 3.423 1.00 0.00 H new ATOM 1331 N VAL A 88 -4.988 -0.890 1.179 1.00 0.00 N ATOM 1332 CA VAL A 88 -5.525 0.243 0.445 1.00 0.00 C ATOM 1333 C VAL A 88 -6.404 1.079 1.378 1.00 0.00 C ATOM 1334 O VAL A 88 -7.303 0.550 2.030 1.00 0.00 O ATOM 1335 CB VAL A 88 -6.270 -0.246 -0.799 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -6.443 0.887 -1.813 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -5.557 -1.443 -1.430 1.00 0.00 C ATOM 0 H VAL A 88 -5.691 -1.520 1.565 1.00 0.00 H new ATOM 0 HA VAL A 88 -4.719 0.887 0.093 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.262 -0.574 -0.489 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.975 0.514 -2.688 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -7.014 1.697 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.463 1.258 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -6.107 -1.771 -2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -4.547 -1.154 -1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.508 -2.259 -0.709 1.00 0.00 H new ATOM 1347 N TYR A 89 -6.113 2.371 1.412 1.00 0.00 N ATOM 1348 CA TYR A 89 -6.814 3.272 2.310 1.00 0.00 C ATOM 1349 C TYR A 89 -7.325 4.505 1.562 1.00 0.00 C ATOM 1350 O TYR A 89 -6.671 4.991 0.640 1.00 0.00 O ATOM 1351 CB TYR A 89 -5.785 3.714 3.353 1.00 0.00 C ATOM 1352 CG TYR A 89 -4.630 4.537 2.778 1.00 0.00 C ATOM 1353 CD1 TYR A 89 -3.502 3.902 2.300 1.00 0.00 C ATOM 1354 CD2 TYR A 89 -4.718 5.913 2.737 1.00 0.00 C ATOM 1355 CE1 TYR A 89 -2.415 4.677 1.759 1.00 0.00 C ATOM 1356 CE2 TYR A 89 -3.631 6.688 2.196 1.00 0.00 C ATOM 1357 CZ TYR A 89 -2.533 6.031 1.734 1.00 0.00 C ATOM 1358 OH TYR A 89 -1.507 6.763 1.223 1.00 0.00 O ATOM 0 H TYR A 89 -5.401 2.815 0.832 1.00 0.00 H new ATOM 0 HA TYR A 89 -7.675 2.775 2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.290 4.302 4.120 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -5.378 2.830 3.845 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -3.434 2.825 2.331 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -5.602 6.409 3.110 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -1.526 4.193 1.382 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -3.686 7.766 2.158 1.00 0.00 H new ATOM 0 HH TYR A 89 -1.731 7.716 1.268 1.00 0.00 H new ATOM 1368 N SER A 90 -8.488 4.976 1.986 1.00 0.00 N ATOM 1369 CA SER A 90 -9.160 6.056 1.283 1.00 0.00 C ATOM 1370 C SER A 90 -8.721 7.405 1.856 1.00 0.00 C ATOM 1371 O SER A 90 -8.041 7.457 2.879 1.00 0.00 O ATOM 1372 CB SER A 90 -10.680 5.910 1.372 1.00 0.00 C ATOM 1373 OG SER A 90 -11.176 6.271 2.659 1.00 0.00 O ATOM 0 H SER A 90 -8.983 4.630 2.808 1.00 0.00 H new ATOM 0 HA SER A 90 -8.879 6.006 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.150 6.536 0.614 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.959 4.880 1.152 1.00 0.00 H new ATOM 0 HG SER A 90 -11.958 6.853 2.557 1.00 0.00 H new ATOM 1379 N SER A 91 -9.129 8.463 1.171 1.00 0.00 N ATOM 1380 CA SER A 91 -8.845 9.810 1.635 1.00 0.00 C ATOM 1381 C SER A 91 -9.397 10.003 3.049 1.00 0.00 C ATOM 1382 O SER A 91 -8.718 10.553 3.915 1.00 0.00 O ATOM 1383 CB SER A 91 -9.437 10.856 0.688 1.00 0.00 C ATOM 1384 OG SER A 91 -8.924 10.727 -0.636 1.00 0.00 O ATOM 0 H SER A 91 -9.654 8.415 0.298 1.00 0.00 H new ATOM 0 HA SER A 91 -7.763 9.945 1.651 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.522 10.755 0.668 1.00 0.00 H new ATOM 0 HB3 SER A 91 -9.217 11.854 1.067 1.00 0.00 H new ATOM 0 HG SER A 91 -9.327 11.411 -1.211 1.00 0.00 H new ATOM 1390 N ASP A 92 -10.624 9.540 3.240 1.00 0.00 N ATOM 1391 CA ASP A 92 -11.317 9.752 4.499 1.00 0.00 C ATOM 1392 C ASP A 92 -11.223 8.483 5.348 1.00 0.00 C ATOM 1393 O ASP A 92 -12.071 8.241 6.205 1.00 0.00 O ATOM 1394 CB ASP A 92 -12.798 10.058 4.268 1.00 0.00 C ATOM 1395 CG ASP A 92 -13.530 9.064 3.365 1.00 0.00 C ATOM 1396 OD1 ASP A 92 -13.210 7.860 3.469 1.00 0.00 O ATOM 1397 OD2 ASP A 92 -14.394 9.530 2.591 1.00 0.00 O ATOM 0 H ASP A 92 -11.156 9.019 2.543 1.00 0.00 H new ATOM 0 HA ASP A 92 -10.849 10.597 5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.302 10.088 5.234 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -12.884 11.053 3.832 1.00 0.00 H new ATOM 1402 N TRP A 93 -10.185 7.705 5.079 1.00 0.00 N ATOM 1403 CA TRP A 93 -9.687 6.755 6.060 1.00 0.00 C ATOM 1404 C TRP A 93 -10.706 5.620 6.179 1.00 0.00 C ATOM 1405 O TRP A 93 -11.179 5.318 7.273 1.00 0.00 O ATOM 1406 CB TRP A 93 -9.403 7.445 7.396 1.00 0.00 C ATOM 1407 CG TRP A 93 -8.665 8.779 7.262 1.00 0.00 C ATOM 1408 CD1 TRP A 93 -9.124 10.007 7.539 1.00 0.00 C ATOM 1409 CD2 TRP A 93 -7.309 8.970 6.806 1.00 0.00 C ATOM 1410 NE1 TRP A 93 -8.168 10.972 7.294 1.00 0.00 N ATOM 1411 CE2 TRP A 93 -7.029 10.321 6.834 1.00 0.00 C ATOM 1412 CE3 TRP A 93 -6.351 8.032 6.382 1.00 0.00 C ATOM 1413 CZ2 TRP A 93 -5.793 10.856 6.452 1.00 0.00 C ATOM 1414 CZ3 TRP A 93 -5.121 8.583 6.003 1.00 0.00 C ATOM 1415 CH2 TRP A 93 -4.824 9.940 6.026 1.00 0.00 C ATOM 0 H TRP A 93 -9.675 7.713 4.196 1.00 0.00 H new ATOM 0 HA TRP A 93 -8.733 6.335 5.740 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -10.347 7.614 7.914 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -8.812 6.775 8.021 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -10.117 10.216 7.908 1.00 0.00 H new ATOM 0 HE1 TRP A 93 -8.277 11.978 7.426 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -6.548 6.971 6.351 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 -5.598 11.918 6.484 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -4.349 7.906 5.669 1.00 0.00 H new ATOM 0 HH2 TRP A 93 -3.849 10.287 5.716 1.00 0.00 H new ATOM 1426 N LEU A 94 -11.014 5.023 5.037 1.00 0.00 N ATOM 1427 CA LEU A 94 -11.622 3.703 5.023 1.00 0.00 C ATOM 1428 C LEU A 94 -10.599 2.681 4.524 1.00 0.00 C ATOM 1429 O LEU A 94 -10.059 2.822 3.428 1.00 0.00 O ATOM 1430 CB LEU A 94 -12.920 3.719 4.214 1.00 0.00 C ATOM 1431 CG LEU A 94 -14.144 4.307 4.920 1.00 0.00 C ATOM 1432 CD1 LEU A 94 -15.115 4.924 3.912 1.00 0.00 C ATOM 1433 CD2 LEU A 94 -14.823 3.258 5.803 1.00 0.00 C ATOM 0 H LEU A 94 -10.854 5.429 4.115 1.00 0.00 H new ATOM 0 HA LEU A 94 -11.907 3.404 6.032 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -12.747 4.284 3.298 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -13.153 2.696 3.918 1.00 0.00 H new ATOM 0 HG LEU A 94 -13.808 5.111 5.575 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -15.976 5.334 4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -14.612 5.720 3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -15.450 4.157 3.213 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -15.690 3.701 6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -15.144 2.418 5.188 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -14.119 2.907 6.558 1.00 0.00 H new ATOM 1445 N ILE A 95 -10.363 1.674 5.353 1.00 0.00 N ATOM 1446 CA ILE A 95 -9.187 0.835 5.196 1.00 0.00 C ATOM 1447 C ILE A 95 -9.625 -0.587 4.838 1.00 0.00 C ATOM 1448 O ILE A 95 -10.508 -1.149 5.484 1.00 0.00 O ATOM 1449 CB ILE A 95 -8.305 0.911 6.443 1.00 0.00 C ATOM 1450 CG1 ILE A 95 -8.150 2.358 6.918 1.00 0.00 C ATOM 1451 CG2 ILE A 95 -6.951 0.240 6.199 1.00 0.00 C ATOM 1452 CD1 ILE A 95 -7.289 2.431 8.180 1.00 0.00 C ATOM 0 H ILE A 95 -10.966 1.420 6.135 1.00 0.00 H new ATOM 0 HA ILE A 95 -8.569 1.195 4.374 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.798 0.360 7.244 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.696 2.957 6.129 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.132 2.786 7.118 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -6.343 0.308 7.101 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.105 -0.808 5.944 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.439 0.742 5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -7.195 3.470 8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -7.758 1.851 8.975 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -6.300 2.025 7.970 1.00 0.00 H new ATOM 1464 N TYR A 96 -8.986 -1.127 3.811 1.00 0.00 N ATOM 1465 CA TYR A 96 -9.183 -2.523 3.457 1.00 0.00 C ATOM 1466 C TYR A 96 -7.877 -3.154 2.970 1.00 0.00 C ATOM 1467 O TYR A 96 -7.107 -2.520 2.250 1.00 0.00 O ATOM 1468 CB TYR A 96 -10.197 -2.529 2.312 1.00 0.00 C ATOM 1469 CG TYR A 96 -11.628 -2.207 2.746 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -12.028 -0.894 2.886 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -12.519 -3.231 2.997 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -13.376 -0.592 3.294 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -13.867 -2.928 3.406 1.00 0.00 C ATOM 1474 CZ TYR A 96 -14.228 -1.624 3.534 1.00 0.00 C ATOM 1475 OH TYR A 96 -15.501 -1.338 3.920 1.00 0.00 O ATOM 0 H TYR A 96 -8.331 -0.623 3.212 1.00 0.00 H new ATOM 0 HA TYR A 96 -9.525 -3.094 4.320 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -9.885 -1.804 1.560 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -10.185 -3.509 1.835 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -11.331 -0.093 2.690 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -12.206 -4.259 2.887 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -13.703 0.431 3.407 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -14.574 -3.719 3.606 1.00 0.00 H new ATOM 0 HH TYR A 96 -15.997 -2.172 4.055 1.00 0.00 H new ATOM 1485 N LYS A 97 -7.667 -4.395 3.383 1.00 0.00 N ATOM 1486 CA LYS A 97 -6.450 -5.106 3.029 1.00 0.00 C ATOM 1487 C LYS A 97 -6.779 -6.189 2.000 1.00 0.00 C ATOM 1488 O LYS A 97 -7.937 -6.573 1.846 1.00 0.00 O ATOM 1489 CB LYS A 97 -5.757 -5.640 4.284 1.00 0.00 C ATOM 1490 CG LYS A 97 -6.509 -6.844 4.856 1.00 0.00 C ATOM 1491 CD LYS A 97 -5.761 -8.146 4.565 1.00 0.00 C ATOM 1492 CE LYS A 97 -6.693 -9.353 4.691 1.00 0.00 C ATOM 1493 NZ LYS A 97 -7.408 -9.591 3.416 1.00 0.00 N ATOM 0 H LYS A 97 -8.319 -4.927 3.960 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.735 -4.429 2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -4.733 -5.927 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -5.700 -4.852 5.035 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -6.631 -6.723 5.932 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.509 -6.891 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.339 -8.111 3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.926 -8.253 5.258 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -6.117 -10.238 4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -7.412 -9.183 5.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -8.036 -10.413 3.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -7.973 -8.752 3.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -6.718 -9.775 2.660 1.00 0.00 H new ATOM 1507 N THR A 98 -5.739 -6.652 1.322 1.00 0.00 N ATOM 1508 CA THR A 98 -5.891 -7.731 0.361 1.00 0.00 C ATOM 1509 C THR A 98 -4.551 -8.431 0.128 1.00 0.00 C ATOM 1510 O THR A 98 -3.549 -7.779 -0.161 1.00 0.00 O ATOM 1511 CB THR A 98 -6.502 -7.145 -0.914 1.00 0.00 C ATOM 1512 OG1 THR A 98 -6.493 -8.234 -1.834 1.00 0.00 O ATOM 1513 CG2 THR A 98 -5.598 -6.098 -1.568 1.00 0.00 C ATOM 0 H THR A 98 -4.787 -6.299 1.419 1.00 0.00 H new ATOM 0 HA THR A 98 -6.563 -8.503 0.735 1.00 0.00 H new ATOM 0 HB THR A 98 -7.468 -6.697 -0.682 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.415 -8.483 -2.055 1.00 0.00 H new ATOM 0 HG21 THR A 98 -6.078 -5.714 -2.468 1.00 0.00 H new ATOM 0 HG22 THR A 98 -5.427 -5.278 -0.870 1.00 0.00 H new ATOM 0 HG23 THR A 98 -4.644 -6.555 -1.832 1.00 0.00 H new ATOM 1521 N THR A 99 -4.577 -9.749 0.262 1.00 0.00 N ATOM 1522 CA THR A 99 -3.386 -10.548 0.030 1.00 0.00 C ATOM 1523 C THR A 99 -3.371 -11.079 -1.405 1.00 0.00 C ATOM 1524 O THR A 99 -2.398 -11.699 -1.831 1.00 0.00 O ATOM 1525 CB THR A 99 -3.345 -11.653 1.087 1.00 0.00 C ATOM 1526 OG1 THR A 99 -4.661 -12.197 1.073 1.00 0.00 O ATOM 1527 CG2 THR A 99 -3.185 -11.100 2.505 1.00 0.00 C ATOM 0 H THR A 99 -5.404 -10.283 0.528 1.00 0.00 H new ATOM 0 HA THR A 99 -2.482 -9.948 0.131 1.00 0.00 H new ATOM 0 HB THR A 99 -2.523 -12.334 0.868 1.00 0.00 H new ATOM 0 HG1 THR A 99 -4.722 -12.922 1.729 1.00 0.00 H new ATOM 0 HG21 THR A 99 -3.162 -11.925 3.217 1.00 0.00 H new ATOM 0 HG22 THR A 99 -2.255 -10.536 2.573 1.00 0.00 H new ATOM 0 HG23 THR A 99 -4.025 -10.445 2.737 1.00 0.00 H new ATOM 1535 N ASP A 100 -4.462 -10.818 -2.110 1.00 0.00 N ATOM 1536 CA ASP A 100 -4.776 -11.574 -3.310 1.00 0.00 C ATOM 1537 C ASP A 100 -4.724 -10.643 -4.523 1.00 0.00 C ATOM 1538 O ASP A 100 -5.215 -10.988 -5.597 1.00 0.00 O ATOM 1539 CB ASP A 100 -6.183 -12.170 -3.232 1.00 0.00 C ATOM 1540 CG ASP A 100 -7.267 -11.208 -2.741 1.00 0.00 C ATOM 1541 OD1 ASP A 100 -7.458 -10.175 -3.417 1.00 0.00 O ATOM 1542 OD2 ASP A 100 -7.880 -11.528 -1.699 1.00 0.00 O ATOM 0 H ASP A 100 -5.140 -10.093 -1.873 1.00 0.00 H new ATOM 0 HA ASP A 100 -4.047 -12.379 -3.402 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -6.462 -12.534 -4.221 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.159 -13.035 -2.569 1.00 0.00 H new ATOM 1547 N HIS A 101 -4.124 -9.481 -4.311 1.00 0.00 N ATOM 1548 CA HIS A 101 -3.865 -8.562 -5.406 1.00 0.00 C ATOM 1549 C HIS A 101 -5.189 -8.155 -6.058 1.00 0.00 C ATOM 1550 O HIS A 101 -5.445 -8.493 -7.213 1.00 0.00 O ATOM 1551 CB HIS A 101 -2.875 -9.168 -6.403 1.00 0.00 C ATOM 1552 CG HIS A 101 -2.291 -8.169 -7.373 1.00 0.00 C ATOM 1553 ND1 HIS A 101 -3.039 -7.563 -8.367 1.00 0.00 N ATOM 1554 CD2 HIS A 101 -1.024 -7.676 -7.490 1.00 0.00 C ATOM 1555 CE1 HIS A 101 -2.248 -6.746 -9.046 1.00 0.00 C ATOM 1556 NE2 HIS A 101 -1.000 -6.818 -8.501 1.00 0.00 N ATOM 0 H HIS A 101 -3.810 -9.155 -3.397 1.00 0.00 H new ATOM 0 HA HIS A 101 -3.395 -7.657 -5.022 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -2.063 -9.641 -5.851 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -3.378 -9.954 -6.966 1.00 0.00 H new ATOM 0 HD1 HIS A 101 -4.031 -7.719 -8.546 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -0.183 -7.940 -6.865 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -2.540 -6.131 -9.884 1.00 0.00 H new ATOM 1564 N TYR A 102 -5.994 -7.436 -5.290 1.00 0.00 N ATOM 1565 CA TYR A 102 -7.178 -6.797 -5.838 1.00 0.00 C ATOM 1566 C TYR A 102 -8.070 -7.815 -6.551 1.00 0.00 C ATOM 1567 O TYR A 102 -8.546 -7.563 -7.657 1.00 0.00 O ATOM 1568 CB TYR A 102 -6.671 -5.777 -6.860 1.00 0.00 C ATOM 1569 CG TYR A 102 -5.532 -4.895 -6.347 1.00 0.00 C ATOM 1570 CD1 TYR A 102 -5.578 -4.386 -5.064 1.00 0.00 C ATOM 1571 CD2 TYR A 102 -4.459 -4.606 -7.165 1.00 0.00 C ATOM 1572 CE1 TYR A 102 -4.506 -3.555 -4.581 1.00 0.00 C ATOM 1573 CE2 TYR A 102 -3.387 -3.776 -6.682 1.00 0.00 C ATOM 1574 CZ TYR A 102 -3.463 -3.291 -5.413 1.00 0.00 C ATOM 1575 OH TYR A 102 -2.451 -2.506 -4.957 1.00 0.00 O ATOM 0 H TYR A 102 -5.849 -7.282 -4.292 1.00 0.00 H new ATOM 0 HA TYR A 102 -7.768 -6.337 -5.045 1.00 0.00 H new ATOM 0 HB2 TYR A 102 -6.333 -6.307 -7.750 1.00 0.00 H new ATOM 0 HB3 TYR A 102 -7.501 -5.140 -7.164 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -6.418 -4.611 -4.423 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -4.424 -5.003 -8.169 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -4.530 -3.150 -3.580 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -2.542 -3.543 -7.312 1.00 0.00 H new ATOM 0 HH TYR A 102 -2.169 -1.891 -5.666 1.00 0.00 H new ATOM 1585 N ALA A 103 -8.271 -8.945 -5.888 1.00 0.00 N ATOM 1586 CA ALA A 103 -9.365 -9.834 -6.239 1.00 0.00 C ATOM 1587 C ALA A 103 -10.524 -9.620 -5.262 1.00 0.00 C ATOM 1588 O ALA A 103 -11.655 -9.377 -5.679 1.00 0.00 O ATOM 1589 CB ALA A 103 -8.866 -11.280 -6.244 1.00 0.00 C ATOM 0 H ALA A 103 -7.694 -9.265 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 103 -9.733 -9.613 -7.241 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -9.687 -11.947 -6.507 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -8.064 -11.386 -6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -8.491 -11.539 -5.254 1.00 0.00 H new ATOM 1595 N THR A 104 -10.201 -9.719 -3.981 1.00 0.00 N ATOM 1596 CA THR A 104 -11.167 -9.411 -2.940 1.00 0.00 C ATOM 1597 C THR A 104 -10.547 -8.483 -1.894 1.00 0.00 C ATOM 1598 O THR A 104 -9.346 -8.219 -1.927 1.00 0.00 O ATOM 1599 CB THR A 104 -11.672 -10.733 -2.358 1.00 0.00 C ATOM 1600 OG1 THR A 104 -10.485 -11.492 -2.141 1.00 0.00 O ATOM 1601 CG2 THR A 104 -12.461 -11.558 -3.376 1.00 0.00 C ATOM 0 H THR A 104 -9.284 -10.008 -3.640 1.00 0.00 H new ATOM 0 HA THR A 104 -12.023 -8.869 -3.342 1.00 0.00 H new ATOM 0 HB THR A 104 -12.300 -10.531 -1.490 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.747 -10.888 -1.916 1.00 0.00 H new ATOM 0 HG21 THR A 104 -12.796 -12.485 -2.911 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.327 -10.988 -3.714 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.823 -11.789 -4.229 1.00 0.00 H new ATOM 1609 N PHE A 105 -11.394 -8.013 -0.990 1.00 0.00 N ATOM 1610 CA PHE A 105 -10.943 -7.123 0.067 1.00 0.00 C ATOM 1611 C PHE A 105 -11.582 -7.495 1.406 1.00 0.00 C ATOM 1612 O PHE A 105 -12.673 -8.063 1.442 1.00 0.00 O ATOM 1613 CB PHE A 105 -11.384 -5.710 -0.321 1.00 0.00 C ATOM 1614 CG PHE A 105 -10.550 -5.083 -1.440 1.00 0.00 C ATOM 1615 CD1 PHE A 105 -9.375 -4.465 -1.148 1.00 0.00 C ATOM 1616 CD2 PHE A 105 -10.985 -5.144 -2.727 1.00 0.00 C ATOM 1617 CE1 PHE A 105 -8.601 -3.883 -2.186 1.00 0.00 C ATOM 1618 CE2 PHE A 105 -10.211 -4.562 -3.766 1.00 0.00 C ATOM 1619 CZ PHE A 105 -9.036 -3.944 -3.474 1.00 0.00 C ATOM 0 H PHE A 105 -12.390 -8.232 -0.967 1.00 0.00 H new ATOM 0 HA PHE A 105 -9.861 -7.195 0.179 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -12.428 -5.739 -0.633 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -11.332 -5.070 0.559 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -9.030 -4.417 -0.126 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -11.919 -5.635 -2.959 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -7.667 -3.392 -1.954 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -10.556 -4.610 -4.788 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.448 -3.501 -4.264 1.00 0.00 H new ATOM 1629 N THR A 106 -10.876 -7.159 2.476 1.00 0.00 N ATOM 1630 CA THR A 106 -11.428 -7.301 3.812 1.00 0.00 C ATOM 1631 C THR A 106 -11.039 -6.102 4.680 1.00 0.00 C ATOM 1632 O THR A 106 -9.883 -5.681 4.680 1.00 0.00 O ATOM 1633 CB THR A 106 -10.956 -8.641 4.380 1.00 0.00 C ATOM 1634 OG1 THR A 106 -11.459 -9.605 3.459 1.00 0.00 O ATOM 1635 CG2 THR A 106 -11.644 -8.993 5.700 1.00 0.00 C ATOM 0 H THR A 106 -9.926 -6.789 2.444 1.00 0.00 H new ATOM 0 HA THR A 106 -12.518 -7.307 3.791 1.00 0.00 H new ATOM 0 HB THR A 106 -9.877 -8.611 4.530 1.00 0.00 H new ATOM 0 HG1 THR A 106 -11.197 -10.503 3.750 1.00 0.00 H new ATOM 0 HG21 THR A 106 -11.273 -9.953 6.059 1.00 0.00 H new ATOM 0 HG22 THR A 106 -11.429 -8.221 6.439 1.00 0.00 H new ATOM 0 HG23 THR A 106 -12.721 -9.056 5.544 1.00 0.00 H new ATOM 1643 N ARG A 107 -12.026 -5.587 5.398 1.00 0.00 N ATOM 1644 CA ARG A 107 -11.806 -4.430 6.249 1.00 0.00 C ATOM 1645 C ARG A 107 -10.831 -4.777 7.376 1.00 0.00 C ATOM 1646 O ARG A 107 -10.811 -5.909 7.857 1.00 0.00 O ATOM 1647 CB ARG A 107 -13.121 -3.935 6.856 1.00 0.00 C ATOM 1648 CG ARG A 107 -13.647 -4.920 7.902 1.00 0.00 C ATOM 1649 CD ARG A 107 -15.052 -4.530 8.365 1.00 0.00 C ATOM 1650 NE ARG A 107 -15.492 -5.426 9.458 1.00 0.00 N ATOM 1651 CZ ARG A 107 -16.660 -5.306 10.104 1.00 0.00 C ATOM 1652 NH1 ARG A 107 -17.525 -4.346 9.750 1.00 0.00 N ATOM 1653 NH2 ARG A 107 -16.962 -6.146 11.103 1.00 0.00 N ATOM 0 H ARG A 107 -12.979 -5.949 5.408 1.00 0.00 H new ATOM 0 HA ARG A 107 -11.384 -3.639 5.630 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -12.969 -2.958 7.315 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -13.863 -3.805 6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -13.665 -5.926 7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -12.972 -4.943 8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -15.057 -3.495 8.708 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -15.749 -4.592 7.530 1.00 0.00 H new ATOM 0 HE ARG A 107 -14.867 -6.182 9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -17.294 -3.707 8.989 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -18.414 -4.254 10.241 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -16.303 -6.877 11.372 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -17.851 -6.055 11.595 1.00 0.00 H new ATOM 1667 N ILE A 108 -10.047 -3.782 7.764 1.00 0.00 N ATOM 1668 CA ILE A 108 -9.216 -3.903 8.950 1.00 0.00 C ATOM 1669 C ILE A 108 -9.844 -3.101 10.092 1.00 0.00 C ATOM 1670 O ILE A 108 -9.850 -3.546 11.238 1.00 0.00 O ATOM 1671 CB ILE A 108 -7.773 -3.502 8.636 1.00 0.00 C ATOM 1672 CG1 ILE A 108 -7.514 -2.043 9.020 1.00 0.00 C ATOM 1673 CG2 ILE A 108 -7.434 -3.778 7.170 1.00 0.00 C ATOM 1674 CD1 ILE A 108 -7.433 -1.882 10.540 1.00 0.00 C ATOM 0 H ILE A 108 -9.970 -2.888 7.278 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.169 -4.941 9.278 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.107 -4.117 9.241 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -6.584 -1.703 8.565 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -8.311 -1.412 8.626 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.403 -3.484 6.973 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.554 -4.841 6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -8.103 -3.205 6.528 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -7.248 -0.836 10.786 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.373 -2.200 10.990 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -6.619 -2.495 10.928 1.00 0.00 H new ATOM 1686 N ARG A 109 -10.356 -1.931 9.738 1.00 0.00 N ATOM 1687 CA ARG A 109 -11.157 -1.153 10.667 1.00 0.00 C ATOM 1688 C ARG A 109 -12.429 -1.918 11.040 1.00 0.00 C ATOM 1689 O ARG A 109 -13.097 -1.475 12.000 1.00 0.00 O ATOM 1690 CB ARG A 109 -11.541 0.200 10.065 1.00 0.00 C ATOM 1691 CG ARG A 109 -12.360 0.018 8.786 1.00 0.00 C ATOM 1692 CD ARG A 109 -13.565 0.962 8.767 1.00 0.00 C ATOM 1693 NE ARG A 109 -14.507 0.601 9.850 1.00 0.00 N ATOM 1694 CZ ARG A 109 -15.543 1.362 10.228 1.00 0.00 C ATOM 1695 NH1 ARG A 109 -15.850 2.468 9.537 1.00 0.00 N ATOM 1696 NH2 ARG A 109 -16.272 1.017 11.298 1.00 0.00 N ATOM 0 H ARG A 109 -10.231 -1.503 8.820 1.00 0.00 H new ATOM 0 HA ARG A 109 -10.556 -0.982 11.560 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -12.116 0.775 10.791 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -10.640 0.773 9.846 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -11.731 0.209 7.917 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -12.701 -1.015 8.712 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.232 1.992 8.892 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -14.068 0.904 7.802 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.358 -0.282 10.339 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -15.295 2.731 8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -16.639 3.047 9.825 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -16.038 0.175 11.825 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -17.061 1.596 11.586 1.00 0.00 H new TER 1710 ARG A 109