USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 731 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 46 SER OG : rot -74:sc= 2.2 USER MOD Set 1.2: A 53 LYS NZ :NH3+ 152:sc= 2.24 (180deg=0.846) USER MOD Set 2.1: A 18 THR OG1 : rot -59:sc= 2.28 USER MOD Set 2.2: A 38 HIS : no HE2:sc= 1.15 K(o=3.4,f=-7!) USER MOD Single : A 1 MET CE :methyl -164:sc= -0.0485 (180deg=-0.419) USER MOD Single : A 1 MET N :NH3+ 168:sc= 0.867 (180deg=0.509) USER MOD Single : A 5 SER OG : rot 180:sc= -0.0129 USER MOD Single : A 6 ASN : amide:sc= -0.0292 X(o=-0.029,f=-0.19) USER MOD Single : A 7 ASN : amide:sc= -0.194 X(o=-0.19,f=-0.045) USER MOD Single : A 9 HIS : no HD1:sc= -0.344 X(o=-0.34,f=-0.015) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 MET CE :methyl 151:sc= -0.283 (180deg=-1.98) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 47 SER OG : rot 94:sc= 0.731 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0203 USER MOD Single : A 60 ASN : amide:sc= -1.29! K(o=-1.3!,f=-0.16) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -115:sc= 1.89 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0375 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -1.07 K(o=-1.1,f=-0.0066) USER MOD Single : A 76 GLN : amide:sc= -1.34 K(o=-1.3,f=-0.0098) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot -170:sc= -0.171 USER MOD Single : A 80 GLN : amide:sc= -0.619 K(o=-0.62,f=-2.4!) USER MOD Single : A 82 GLN : amide:sc= -0.229 K(o=-0.23,f=-0.92) USER MOD Single : A 83 ASN : amide:sc= 1.53 K(o=1.5,f=-6.8!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 1.27 K(o=1.3,f=-0.021) USER MOD Single : A 100 LYS NZ :NH3+ -139:sc= -0.0347 (180deg=-0.283) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.313 -2.593 -2.483 1.00 0.00 N ATOM 2 CA MET A 1 -13.624 -3.906 -2.420 1.00 0.00 C ATOM 3 C MET A 1 -12.421 -3.914 -3.348 1.00 0.00 C ATOM 4 O MET A 1 -12.491 -3.413 -4.468 1.00 0.00 O ATOM 5 CB MET A 1 -14.584 -5.034 -2.811 1.00 0.00 C ATOM 6 CG MET A 1 -13.963 -6.419 -2.714 1.00 0.00 C ATOM 7 SD MET A 1 -15.051 -7.721 -3.322 1.00 0.00 S ATOM 8 CE MET A 1 -16.430 -7.576 -2.183 1.00 0.00 C ATOM 0 H1 MET A 1 -15.237 -2.663 -2.010 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.733 -1.873 -2.006 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.453 -2.322 -3.477 1.00 0.00 H new ATOM 0 HA MET A 1 -13.287 -4.067 -1.396 1.00 0.00 H new ATOM 0 HB2 MET A 1 -15.463 -4.992 -2.167 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.929 -4.870 -3.832 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.033 -6.435 -3.282 1.00 0.00 H new ATOM 0 HG3 MET A 1 -13.705 -6.624 -1.675 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.045 -8.474 -2.239 1.00 0.00 H new ATOM 0 HE2 MET A 1 -16.052 -7.458 -1.167 1.00 0.00 H new ATOM 0 HE3 MET A 1 -17.032 -6.707 -2.449 1.00 0.00 H new ATOM 20 N LEU A 2 -11.318 -4.488 -2.885 1.00 0.00 N ATOM 21 CA LEU A 2 -10.125 -4.607 -3.700 1.00 0.00 C ATOM 22 C LEU A 2 -10.119 -5.961 -4.395 1.00 0.00 C ATOM 23 O LEU A 2 -9.778 -6.983 -3.799 1.00 0.00 O ATOM 24 CB LEU A 2 -8.863 -4.430 -2.847 1.00 0.00 C ATOM 25 CG LEU A 2 -7.543 -4.441 -3.625 1.00 0.00 C ATOM 26 CD1 LEU A 2 -7.512 -3.316 -4.651 1.00 0.00 C ATOM 27 CD2 LEU A 2 -6.362 -4.325 -2.673 1.00 0.00 C ATOM 0 H LEU A 2 -11.229 -4.878 -1.947 1.00 0.00 H new ATOM 0 HA LEU A 2 -10.130 -3.819 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -8.939 -3.487 -2.305 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -8.833 -5.224 -2.101 1.00 0.00 H new ATOM 0 HG LEU A 2 -7.468 -5.390 -4.156 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.566 -3.343 -5.192 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.335 -3.442 -5.354 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.612 -2.357 -4.143 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -5.433 -4.334 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.435 -3.392 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -6.370 -5.165 -1.979 1.00 0.00 H new ATOM 39 N VAL A 3 -10.548 -5.964 -5.643 1.00 0.00 N ATOM 40 CA VAL A 3 -10.593 -7.183 -6.434 1.00 0.00 C ATOM 41 C VAL A 3 -9.256 -7.412 -7.131 1.00 0.00 C ATOM 42 O VAL A 3 -8.885 -6.670 -8.038 1.00 0.00 O ATOM 43 CB VAL A 3 -11.718 -7.133 -7.491 1.00 0.00 C ATOM 44 CG1 VAL A 3 -11.787 -8.437 -8.274 1.00 0.00 C ATOM 45 CG2 VAL A 3 -13.056 -6.828 -6.836 1.00 0.00 C ATOM 0 H VAL A 3 -10.872 -5.131 -6.135 1.00 0.00 H new ATOM 0 HA VAL A 3 -10.798 -8.007 -5.751 1.00 0.00 H new ATOM 0 HB VAL A 3 -11.488 -6.330 -8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -12.587 -8.376 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -10.837 -8.607 -8.781 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -11.986 -9.262 -7.590 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -13.835 -6.797 -7.598 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -13.290 -7.605 -6.108 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -13.003 -5.863 -6.332 1.00 0.00 H new ATOM 55 N ILE A 4 -8.536 -8.434 -6.692 1.00 0.00 N ATOM 56 CA ILE A 4 -7.248 -8.772 -7.280 1.00 0.00 C ATOM 57 C ILE A 4 -7.423 -9.866 -8.327 1.00 0.00 C ATOM 58 O ILE A 4 -6.788 -9.852 -9.385 1.00 0.00 O ATOM 59 CB ILE A 4 -6.247 -9.250 -6.202 1.00 0.00 C ATOM 60 CG1 ILE A 4 -6.108 -8.190 -5.103 1.00 0.00 C ATOM 61 CG2 ILE A 4 -4.890 -9.552 -6.825 1.00 0.00 C ATOM 62 CD1 ILE A 4 -5.189 -8.601 -3.975 1.00 0.00 C ATOM 0 H ILE A 4 -8.823 -9.046 -5.928 1.00 0.00 H new ATOM 0 HA ILE A 4 -6.849 -7.872 -7.749 1.00 0.00 H new ATOM 0 HB ILE A 4 -6.630 -10.168 -5.757 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.735 -7.267 -5.546 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -7.095 -7.971 -4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -4.200 -9.887 -6.050 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -5.000 -10.335 -7.575 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.497 -8.651 -7.296 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.140 -7.801 -3.236 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.572 -9.507 -3.505 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.191 -8.791 -4.370 1.00 0.00 H new ATOM 74 N SER A 5 -8.304 -10.806 -8.030 1.00 0.00 N ATOM 75 CA SER A 5 -8.588 -11.903 -8.932 1.00 0.00 C ATOM 76 C SER A 5 -10.023 -12.367 -8.721 1.00 0.00 C ATOM 77 O SER A 5 -10.710 -11.872 -7.825 1.00 0.00 O ATOM 78 CB SER A 5 -7.601 -13.052 -8.693 1.00 0.00 C ATOM 79 OG SER A 5 -7.739 -14.065 -9.675 1.00 0.00 O ATOM 0 H SER A 5 -8.838 -10.828 -7.162 1.00 0.00 H new ATOM 0 HA SER A 5 -8.473 -11.570 -9.963 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.581 -12.667 -8.706 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.768 -13.477 -7.703 1.00 0.00 H new ATOM 0 HG SER A 5 -7.096 -14.783 -9.497 1.00 0.00 H new ATOM 85 N ASN A 6 -10.466 -13.320 -9.528 1.00 0.00 N ATOM 86 CA ASN A 6 -11.843 -13.799 -9.472 1.00 0.00 C ATOM 87 C ASN A 6 -12.163 -14.370 -8.097 1.00 0.00 C ATOM 88 O ASN A 6 -13.224 -14.111 -7.532 1.00 0.00 O ATOM 89 CB ASN A 6 -12.088 -14.873 -10.536 1.00 0.00 C ATOM 90 CG ASN A 6 -11.742 -14.414 -11.938 1.00 0.00 C ATOM 91 OD1 ASN A 6 -10.609 -14.569 -12.392 1.00 0.00 O ATOM 92 ND2 ASN A 6 -12.712 -13.844 -12.637 1.00 0.00 N ATOM 0 H ASN A 6 -9.890 -13.780 -10.233 1.00 0.00 H new ATOM 0 HA ASN A 6 -12.496 -12.948 -9.665 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -11.497 -15.757 -10.294 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -13.136 -15.172 -10.507 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -12.532 -13.516 -13.586 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -13.639 -13.733 -12.226 1.00 0.00 H new ATOM 99 N ASN A 7 -11.225 -15.130 -7.544 1.00 0.00 N ATOM 100 CA ASN A 7 -11.452 -15.813 -6.277 1.00 0.00 C ATOM 101 C ASN A 7 -10.682 -15.130 -5.147 1.00 0.00 C ATOM 102 O ASN A 7 -10.605 -15.639 -4.031 1.00 0.00 O ATOM 103 CB ASN A 7 -11.027 -17.277 -6.413 1.00 0.00 C ATOM 104 CG ASN A 7 -11.619 -18.182 -5.343 1.00 0.00 C ATOM 105 OD1 ASN A 7 -12.749 -18.659 -5.470 1.00 0.00 O ATOM 106 ND2 ASN A 7 -10.850 -18.448 -4.300 1.00 0.00 N ATOM 0 H ASN A 7 -10.303 -15.288 -7.952 1.00 0.00 H new ATOM 0 HA ASN A 7 -12.512 -15.767 -6.029 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.326 -17.644 -7.395 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -9.940 -17.337 -6.368 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -11.186 -19.068 -3.563 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -9.921 -18.033 -4.232 1.00 0.00 H new ATOM 113 N VAL A 8 -10.130 -13.957 -5.431 1.00 0.00 N ATOM 114 CA VAL A 8 -9.339 -13.237 -4.439 1.00 0.00 C ATOM 115 C VAL A 8 -9.820 -11.799 -4.307 1.00 0.00 C ATOM 116 O VAL A 8 -9.758 -11.016 -5.260 1.00 0.00 O ATOM 117 CB VAL A 8 -7.831 -13.241 -4.795 1.00 0.00 C ATOM 118 CG1 VAL A 8 -7.023 -12.508 -3.733 1.00 0.00 C ATOM 119 CG2 VAL A 8 -7.323 -14.665 -4.958 1.00 0.00 C ATOM 0 H VAL A 8 -10.214 -13.486 -6.332 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.472 -13.755 -3.489 1.00 0.00 H new ATOM 0 HB VAL A 8 -7.706 -12.718 -5.743 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -5.967 -12.524 -4.004 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -7.365 -11.475 -3.664 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.158 -13.000 -2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -6.262 -14.647 -5.208 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -7.467 -15.212 -4.026 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -7.875 -15.159 -5.757 1.00 0.00 H new ATOM 129 N HIS A 9 -10.285 -11.456 -3.116 1.00 0.00 N ATOM 130 CA HIS A 9 -10.761 -10.107 -2.820 1.00 0.00 C ATOM 131 C HIS A 9 -10.166 -9.636 -1.499 1.00 0.00 C ATOM 132 O HIS A 9 -9.849 -10.453 -0.637 1.00 0.00 O ATOM 133 CB HIS A 9 -12.295 -10.065 -2.711 1.00 0.00 C ATOM 134 CG HIS A 9 -13.028 -10.614 -3.899 1.00 0.00 C ATOM 135 ND1 HIS A 9 -14.091 -11.481 -3.778 1.00 0.00 N ATOM 136 CD2 HIS A 9 -12.862 -10.408 -5.227 1.00 0.00 C ATOM 137 CE1 HIS A 9 -14.544 -11.789 -4.979 1.00 0.00 C ATOM 138 NE2 HIS A 9 -13.817 -11.150 -5.873 1.00 0.00 N ATOM 0 H HIS A 9 -10.344 -12.100 -2.327 1.00 0.00 H new ATOM 0 HA HIS A 9 -10.449 -9.455 -3.636 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -12.597 -10.624 -1.826 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -12.606 -9.032 -2.557 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -12.117 -9.778 -5.690 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -15.370 -12.452 -5.192 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -13.944 -11.199 -6.884 1.00 0.00 H new ATOM 147 N LEU A 10 -10.015 -8.330 -1.347 1.00 0.00 N ATOM 148 CA LEU A 10 -9.547 -7.761 -0.098 1.00 0.00 C ATOM 149 C LEU A 10 -10.555 -6.746 0.428 1.00 0.00 C ATOM 150 O LEU A 10 -11.051 -5.903 -0.329 1.00 0.00 O ATOM 151 CB LEU A 10 -8.177 -7.105 -0.278 1.00 0.00 C ATOM 152 CG LEU A 10 -7.006 -8.075 -0.437 1.00 0.00 C ATOM 153 CD1 LEU A 10 -5.704 -7.313 -0.619 1.00 0.00 C ATOM 154 CD2 LEU A 10 -6.912 -8.999 0.768 1.00 0.00 C ATOM 0 H LEU A 10 -10.211 -7.644 -2.076 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.446 -8.567 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.214 -6.459 -1.155 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.983 -6.464 0.582 1.00 0.00 H new ATOM 0 HG LEU A 10 -7.181 -8.681 -1.326 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -4.881 -8.019 -0.731 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.769 -6.689 -1.510 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -5.526 -6.684 0.253 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -6.073 -9.683 0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -6.760 -8.406 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.835 -9.571 0.861 1.00 0.00 H new ATOM 166 N PRO A 11 -10.894 -6.836 1.720 1.00 0.00 N ATOM 167 CA PRO A 11 -11.842 -5.926 2.352 1.00 0.00 C ATOM 168 C PRO A 11 -11.281 -4.518 2.491 1.00 0.00 C ATOM 169 O PRO A 11 -10.133 -4.326 2.898 1.00 0.00 O ATOM 170 CB PRO A 11 -12.087 -6.538 3.738 1.00 0.00 C ATOM 171 CG PRO A 11 -11.487 -7.902 3.681 1.00 0.00 C ATOM 172 CD PRO A 11 -10.385 -7.831 2.671 1.00 0.00 C ATOM 0 HA PRO A 11 -12.751 -5.823 1.759 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -11.623 -5.937 4.520 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -13.152 -6.587 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -11.102 -8.199 4.657 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -12.232 -8.643 3.393 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -9.442 -7.519 3.120 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -10.208 -8.795 2.194 1.00 0.00 H new ATOM 180 N ASP A 12 -12.109 -3.545 2.157 1.00 0.00 N ATOM 181 CA ASP A 12 -11.744 -2.140 2.213 1.00 0.00 C ATOM 182 C ASP A 12 -11.302 -1.744 3.615 1.00 0.00 C ATOM 183 O ASP A 12 -10.357 -0.976 3.793 1.00 0.00 O ATOM 184 CB ASP A 12 -12.951 -1.304 1.810 1.00 0.00 C ATOM 185 CG ASP A 12 -13.490 -1.683 0.445 1.00 0.00 C ATOM 186 OD1 ASP A 12 -14.177 -2.722 0.350 1.00 0.00 O ATOM 187 OD2 ASP A 12 -13.218 -0.964 -0.543 1.00 0.00 O ATOM 0 H ASP A 12 -13.063 -3.709 1.836 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.912 -1.966 1.531 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -13.738 -1.426 2.554 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -12.674 -0.250 1.808 1.00 0.00 H new ATOM 192 N ALA A 13 -12.007 -2.282 4.599 1.00 0.00 N ATOM 193 CA ALA A 13 -11.741 -2.005 6.008 1.00 0.00 C ATOM 194 C ALA A 13 -10.305 -2.345 6.421 1.00 0.00 C ATOM 195 O ALA A 13 -9.775 -1.752 7.361 1.00 0.00 O ATOM 196 CB ALA A 13 -12.723 -2.777 6.874 1.00 0.00 C ATOM 0 H ALA A 13 -12.783 -2.926 4.445 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.868 -0.932 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -12.523 -2.569 7.925 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.741 -2.471 6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -12.611 -3.845 6.688 1.00 0.00 H new ATOM 202 N GLU A 14 -9.675 -3.282 5.723 1.00 0.00 N ATOM 203 CA GLU A 14 -8.325 -3.715 6.081 1.00 0.00 C ATOM 204 C GLU A 14 -7.271 -2.834 5.416 1.00 0.00 C ATOM 205 O GLU A 14 -6.071 -3.102 5.503 1.00 0.00 O ATOM 206 CB GLU A 14 -8.115 -5.187 5.715 1.00 0.00 C ATOM 207 CG GLU A 14 -9.134 -6.117 6.356 1.00 0.00 C ATOM 208 CD GLU A 14 -8.802 -7.588 6.198 1.00 0.00 C ATOM 209 OE1 GLU A 14 -8.138 -7.964 5.206 1.00 0.00 O ATOM 210 OE2 GLU A 14 -9.215 -8.385 7.069 1.00 0.00 O ATOM 0 H GLU A 14 -10.072 -3.755 4.911 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.213 -3.612 7.160 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.165 -5.296 4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.114 -5.491 6.020 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.209 -5.883 7.418 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.113 -5.926 5.918 1.00 0.00 H new ATOM 217 N ILE A 15 -7.729 -1.774 4.764 1.00 0.00 N ATOM 218 CA ILE A 15 -6.842 -0.799 4.154 1.00 0.00 C ATOM 219 C ILE A 15 -7.030 0.557 4.831 1.00 0.00 C ATOM 220 O ILE A 15 -8.125 1.120 4.818 1.00 0.00 O ATOM 221 CB ILE A 15 -7.095 -0.669 2.635 1.00 0.00 C ATOM 222 CG1 ILE A 15 -7.065 -2.050 1.969 1.00 0.00 C ATOM 223 CG2 ILE A 15 -6.054 0.240 2.002 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.392 -2.023 0.489 1.00 0.00 C ATOM 0 H ILE A 15 -8.721 -1.568 4.645 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.817 -1.143 4.291 1.00 0.00 H new ATOM 0 HB ILE A 15 -8.081 -0.230 2.485 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.076 -2.487 2.105 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.775 -2.703 2.477 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.245 0.322 0.932 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.109 1.229 2.457 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.060 -0.178 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.351 -3.036 0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -8.393 -1.616 0.345 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.668 -1.397 -0.032 1.00 0.00 H new ATOM 236 N GLU A 16 -5.967 1.065 5.435 1.00 0.00 N ATOM 237 CA GLU A 16 -6.023 2.309 6.194 1.00 0.00 C ATOM 238 C GLU A 16 -5.504 3.482 5.363 1.00 0.00 C ATOM 239 O GLU A 16 -4.305 3.579 5.083 1.00 0.00 O ATOM 240 CB GLU A 16 -5.218 2.137 7.489 1.00 0.00 C ATOM 241 CG GLU A 16 -4.830 3.430 8.201 1.00 0.00 C ATOM 242 CD GLU A 16 -6.009 4.186 8.775 1.00 0.00 C ATOM 243 OE1 GLU A 16 -6.861 3.562 9.441 1.00 0.00 O ATOM 244 OE2 GLU A 16 -6.067 5.420 8.593 1.00 0.00 O ATOM 0 H GLU A 16 -5.044 0.631 5.415 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.059 2.536 6.447 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.799 1.524 8.178 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.308 1.583 7.259 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.133 3.196 9.006 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.302 4.076 7.500 1.00 0.00 H new ATOM 251 N LEU A 17 -6.419 4.356 4.954 1.00 0.00 N ATOM 252 CA LEU A 17 -6.063 5.560 4.216 1.00 0.00 C ATOM 253 C LEU A 17 -6.134 6.773 5.135 1.00 0.00 C ATOM 254 O LEU A 17 -7.215 7.183 5.555 1.00 0.00 O ATOM 255 CB LEU A 17 -6.995 5.778 3.017 1.00 0.00 C ATOM 256 CG LEU A 17 -6.899 4.745 1.887 1.00 0.00 C ATOM 257 CD1 LEU A 17 -7.614 3.456 2.261 1.00 0.00 C ATOM 258 CD2 LEU A 17 -7.480 5.314 0.605 1.00 0.00 C ATOM 0 H LEU A 17 -7.419 4.250 5.124 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.046 5.434 3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.023 5.794 3.380 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -6.790 6.763 2.599 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.846 4.514 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.530 2.742 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -7.159 3.035 3.158 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -8.666 3.666 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.406 4.571 -0.189 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -8.527 5.573 0.763 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.925 6.207 0.319 1.00 0.00 H new ATOM 270 N THR A 18 -4.984 7.340 5.447 1.00 0.00 N ATOM 271 CA THR A 18 -4.911 8.491 6.330 1.00 0.00 C ATOM 272 C THR A 18 -4.373 9.705 5.572 1.00 0.00 C ATOM 273 O THR A 18 -3.643 9.550 4.594 1.00 0.00 O ATOM 274 CB THR A 18 -3.989 8.192 7.530 1.00 0.00 C ATOM 275 OG1 THR A 18 -3.873 6.772 7.718 1.00 0.00 O ATOM 276 CG2 THR A 18 -4.528 8.824 8.806 1.00 0.00 C ATOM 0 H THR A 18 -4.080 7.020 5.099 1.00 0.00 H new ATOM 0 HA THR A 18 -5.916 8.706 6.694 1.00 0.00 H new ATOM 0 HB THR A 18 -3.009 8.619 7.315 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.761 6.390 7.878 1.00 0.00 H new ATOM 0 HG21 THR A 18 -3.858 8.597 9.635 1.00 0.00 H new ATOM 0 HG22 THR A 18 -4.593 9.904 8.677 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.519 8.424 9.020 1.00 0.00 H new ATOM 284 N ALA A 19 -4.737 10.900 6.008 1.00 0.00 N ATOM 285 CA ALA A 19 -4.246 12.123 5.383 1.00 0.00 C ATOM 286 C ALA A 19 -3.250 12.831 6.295 1.00 0.00 C ATOM 287 O ALA A 19 -3.546 13.102 7.460 1.00 0.00 O ATOM 288 CB ALA A 19 -5.408 13.045 5.046 1.00 0.00 C ATOM 0 H ALA A 19 -5.371 11.052 6.792 1.00 0.00 H new ATOM 0 HA ALA A 19 -3.733 11.857 4.459 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.028 13.954 4.580 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.085 12.540 4.357 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.945 13.302 5.959 1.00 0.00 H new ATOM 294 N ILE A 20 -2.073 13.127 5.763 1.00 0.00 N ATOM 295 CA ILE A 20 -1.025 13.768 6.543 1.00 0.00 C ATOM 296 C ILE A 20 -1.252 15.273 6.610 1.00 0.00 C ATOM 297 O ILE A 20 -1.299 15.960 5.589 1.00 0.00 O ATOM 298 CB ILE A 20 0.378 13.480 5.961 1.00 0.00 C ATOM 299 CG1 ILE A 20 0.633 11.971 5.927 1.00 0.00 C ATOM 300 CG2 ILE A 20 1.454 14.185 6.776 1.00 0.00 C ATOM 301 CD1 ILE A 20 1.963 11.589 5.314 1.00 0.00 C ATOM 0 H ILE A 20 -1.820 12.933 4.794 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.069 13.350 7.549 1.00 0.00 H new ATOM 0 HB ILE A 20 0.417 13.865 4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.587 11.581 6.944 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -0.167 11.489 5.365 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.434 13.969 6.349 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.279 15.261 6.757 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.421 13.831 7.806 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.071 10.504 5.326 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.006 11.947 4.285 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.772 12.040 5.889 1.00 0.00 H new ATOM 313 N ARG A 21 -1.411 15.771 7.822 1.00 0.00 N ATOM 314 CA ARG A 21 -1.652 17.186 8.041 1.00 0.00 C ATOM 315 C ARG A 21 -0.330 17.921 8.221 1.00 0.00 C ATOM 316 O ARG A 21 0.622 17.374 8.781 1.00 0.00 O ATOM 317 CB ARG A 21 -2.539 17.386 9.274 1.00 0.00 C ATOM 318 CG ARG A 21 -3.805 16.543 9.253 1.00 0.00 C ATOM 319 CD ARG A 21 -4.688 16.884 8.066 1.00 0.00 C ATOM 320 NE ARG A 21 -5.784 15.929 7.905 1.00 0.00 N ATOM 321 CZ ARG A 21 -7.023 16.266 7.556 1.00 0.00 C ATOM 322 NH1 ARG A 21 -7.355 17.543 7.413 1.00 0.00 N ATOM 323 NH2 ARG A 21 -7.929 15.322 7.372 1.00 0.00 N ATOM 0 H ARG A 21 -1.377 15.213 8.675 1.00 0.00 H new ATOM 0 HA ARG A 21 -2.165 17.594 7.170 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.965 17.143 10.168 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -2.814 18.438 9.348 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.538 15.487 9.216 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.361 16.699 10.177 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -5.097 17.886 8.195 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -4.085 16.900 7.158 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.586 14.942 8.071 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -6.659 18.272 7.571 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -8.306 17.796 7.145 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -7.677 14.342 7.498 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.881 15.574 7.104 1.00 0.00 H new ATOM 494 N SER A 34 -2.091 19.288 3.358 1.00 0.00 N ATOM 495 CA SER A 34 -1.187 18.594 2.459 1.00 0.00 C ATOM 496 C SER A 34 -1.924 17.530 1.653 1.00 0.00 C ATOM 497 O SER A 34 -2.994 17.062 2.046 1.00 0.00 O ATOM 498 CB SER A 34 -0.040 17.954 3.246 1.00 0.00 C ATOM 499 OG SER A 34 0.986 17.490 2.379 1.00 0.00 O ATOM 0 HA SER A 34 -0.777 19.327 1.764 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.373 18.680 3.946 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.422 17.123 3.838 1.00 0.00 H new ATOM 0 HG SER A 34 1.705 17.088 2.909 1.00 0.00 H new ATOM 505 N SER A 35 -1.342 17.171 0.524 1.00 0.00 N ATOM 506 CA SER A 35 -1.884 16.130 -0.334 1.00 0.00 C ATOM 507 C SER A 35 -1.157 14.812 -0.083 1.00 0.00 C ATOM 508 O SER A 35 -1.361 13.829 -0.797 1.00 0.00 O ATOM 509 CB SER A 35 -1.746 16.547 -1.797 1.00 0.00 C ATOM 510 OG SER A 35 -2.398 17.784 -2.030 1.00 0.00 O ATOM 0 H SER A 35 -0.481 17.591 0.175 1.00 0.00 H new ATOM 0 HA SER A 35 -2.940 15.989 -0.106 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.691 16.632 -2.058 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.173 15.778 -2.441 1.00 0.00 H new ATOM 0 HG SER A 35 -2.297 18.035 -2.972 1.00 0.00 H new ATOM 516 N ALA A 36 -0.309 14.809 0.939 1.00 0.00 N ATOM 517 CA ALA A 36 0.442 13.628 1.315 1.00 0.00 C ATOM 518 C ALA A 36 -0.444 12.657 2.077 1.00 0.00 C ATOM 519 O ALA A 36 -0.954 12.971 3.151 1.00 0.00 O ATOM 520 CB ALA A 36 1.650 14.013 2.155 1.00 0.00 C ATOM 0 H ALA A 36 -0.127 15.624 1.525 1.00 0.00 H new ATOM 0 HA ALA A 36 0.793 13.138 0.407 1.00 0.00 H new ATOM 0 HB1 ALA A 36 2.204 13.115 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.296 14.676 1.580 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.317 14.524 3.058 1.00 0.00 H new ATOM 526 N MET A 37 -0.636 11.488 1.509 1.00 0.00 N ATOM 527 CA MET A 37 -1.453 10.467 2.140 1.00 0.00 C ATOM 528 C MET A 37 -0.595 9.441 2.857 1.00 0.00 C ATOM 529 O MET A 37 0.526 9.140 2.446 1.00 0.00 O ATOM 530 CB MET A 37 -2.336 9.758 1.117 1.00 0.00 C ATOM 531 CG MET A 37 -3.354 10.660 0.447 1.00 0.00 C ATOM 532 SD MET A 37 -4.519 9.742 -0.576 1.00 0.00 S ATOM 533 CE MET A 37 -5.290 8.683 0.648 1.00 0.00 C ATOM 0 H MET A 37 -0.238 11.217 0.610 1.00 0.00 H new ATOM 0 HA MET A 37 -2.087 10.972 2.869 1.00 0.00 H new ATOM 0 HB2 MET A 37 -1.701 9.313 0.351 1.00 0.00 H new ATOM 0 HB3 MET A 37 -2.861 8.940 1.611 1.00 0.00 H new ATOM 0 HG2 MET A 37 -3.902 11.213 1.209 1.00 0.00 H new ATOM 0 HG3 MET A 37 -2.835 11.395 -0.169 1.00 0.00 H new ATOM 0 HE1 MET A 37 -6.310 8.453 0.340 1.00 0.00 H new ATOM 0 HE2 MET A 37 -4.721 7.758 0.739 1.00 0.00 H new ATOM 0 HE3 MET A 37 -5.309 9.193 1.611 1.00 0.00 H new ATOM 543 N HIS A 38 -1.139 8.920 3.934 1.00 0.00 N ATOM 544 CA HIS A 38 -0.528 7.837 4.677 1.00 0.00 C ATOM 545 C HIS A 38 -1.321 6.570 4.433 1.00 0.00 C ATOM 546 O HIS A 38 -2.535 6.541 4.616 1.00 0.00 O ATOM 547 CB HIS A 38 -0.499 8.166 6.175 1.00 0.00 C ATOM 548 CG HIS A 38 -0.204 6.995 7.068 1.00 0.00 C ATOM 549 ND1 HIS A 38 -1.189 6.296 7.730 1.00 0.00 N ATOM 550 CD2 HIS A 38 0.966 6.405 7.410 1.00 0.00 C ATOM 551 CE1 HIS A 38 -0.640 5.333 8.443 1.00 0.00 C ATOM 552 NE2 HIS A 38 0.667 5.373 8.268 1.00 0.00 N ATOM 0 H HIS A 38 -2.026 9.238 4.324 1.00 0.00 H new ATOM 0 HA HIS A 38 0.500 7.698 4.341 1.00 0.00 H new ATOM 0 HB2 HIS A 38 0.251 8.937 6.350 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -1.463 8.589 6.459 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -2.188 6.493 7.677 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.951 6.692 7.072 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -1.171 4.629 9.066 1.00 0.00 H new ATOM 561 N LEU A 39 -0.639 5.532 4.021 1.00 0.00 N ATOM 562 CA LEU A 39 -1.297 4.284 3.707 1.00 0.00 C ATOM 563 C LEU A 39 -0.751 3.170 4.580 1.00 0.00 C ATOM 564 O LEU A 39 0.465 2.998 4.695 1.00 0.00 O ATOM 565 CB LEU A 39 -1.116 3.937 2.226 1.00 0.00 C ATOM 566 CG LEU A 39 -1.885 2.703 1.747 1.00 0.00 C ATOM 567 CD1 LEU A 39 -3.383 2.931 1.866 1.00 0.00 C ATOM 568 CD2 LEU A 39 -1.508 2.358 0.315 1.00 0.00 C ATOM 0 H LEU A 39 0.373 5.524 3.894 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.363 4.395 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.427 4.794 1.628 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.055 3.782 2.033 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.613 1.861 2.383 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.915 2.044 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.640 3.126 2.907 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.670 3.787 1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.066 1.478 -0.006 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.748 3.198 -0.337 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.439 2.150 0.260 1.00 0.00 H new ATOM 580 N ARG A 40 -1.654 2.448 5.218 1.00 0.00 N ATOM 581 CA ARG A 40 -1.283 1.284 5.999 1.00 0.00 C ATOM 582 C ARG A 40 -1.996 0.050 5.468 1.00 0.00 C ATOM 583 O ARG A 40 -3.223 -0.049 5.540 1.00 0.00 O ATOM 584 CB ARG A 40 -1.617 1.473 7.485 1.00 0.00 C ATOM 585 CG ARG A 40 -1.563 0.170 8.272 1.00 0.00 C ATOM 586 CD ARG A 40 -2.170 0.302 9.659 1.00 0.00 C ATOM 587 NE ARG A 40 -2.282 -1.003 10.313 1.00 0.00 N ATOM 588 CZ ARG A 40 -3.298 -1.367 11.097 1.00 0.00 C ATOM 589 NH1 ARG A 40 -4.272 -0.511 11.373 1.00 0.00 N ATOM 590 NH2 ARG A 40 -3.339 -2.594 11.603 1.00 0.00 N ATOM 0 H ARG A 40 -2.654 2.649 5.210 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.205 1.153 5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.918 2.186 7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.613 1.907 7.577 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.092 -0.606 7.720 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.526 -0.154 8.362 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.554 0.965 10.267 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.156 0.761 9.585 1.00 0.00 H new ATOM 0 HE ARG A 40 -1.534 -1.679 10.159 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.247 0.432 10.985 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.046 -0.795 11.973 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.594 -3.258 11.392 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -4.116 -2.873 12.203 1.00 0.00 H new ATOM 604 N PHE A 41 -1.232 -0.871 4.917 1.00 0.00 N ATOM 605 CA PHE A 41 -1.763 -2.162 4.524 1.00 0.00 C ATOM 606 C PHE A 41 -1.186 -3.224 5.444 1.00 0.00 C ATOM 607 O PHE A 41 -0.007 -3.568 5.350 1.00 0.00 O ATOM 608 CB PHE A 41 -1.436 -2.474 3.060 1.00 0.00 C ATOM 609 CG PHE A 41 -1.994 -3.785 2.589 1.00 0.00 C ATOM 610 CD1 PHE A 41 -3.349 -3.918 2.325 1.00 0.00 C ATOM 611 CD2 PHE A 41 -1.168 -4.885 2.417 1.00 0.00 C ATOM 612 CE1 PHE A 41 -3.868 -5.123 1.895 1.00 0.00 C ATOM 613 CE2 PHE A 41 -1.683 -6.093 1.989 1.00 0.00 C ATOM 614 CZ PHE A 41 -3.034 -6.212 1.728 1.00 0.00 C ATOM 0 H PHE A 41 -0.237 -0.749 4.730 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.849 -2.148 4.613 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.827 -1.675 2.430 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -0.354 -2.481 2.931 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.005 -3.070 2.457 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.111 -4.796 2.620 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.924 -5.214 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.030 -6.943 1.859 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.438 -7.156 1.393 1.00 0.00 H new ATOM 624 N ASP A 42 -2.005 -3.714 6.353 1.00 0.00 N ATOM 625 CA ASP A 42 -1.542 -4.649 7.365 1.00 0.00 C ATOM 626 C ASP A 42 -1.313 -6.019 6.750 1.00 0.00 C ATOM 627 O ASP A 42 -2.234 -6.615 6.198 1.00 0.00 O ATOM 628 CB ASP A 42 -2.561 -4.748 8.498 1.00 0.00 C ATOM 629 CG ASP A 42 -1.968 -5.338 9.761 1.00 0.00 C ATOM 630 OD1 ASP A 42 -1.740 -6.562 9.803 1.00 0.00 O ATOM 631 OD2 ASP A 42 -1.719 -4.565 10.712 1.00 0.00 O ATOM 0 H ASP A 42 -2.996 -3.481 6.414 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.599 -4.284 7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.956 -3.756 8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -3.402 -5.362 8.174 1.00 0.00 H new ATOM 636 N ILE A 43 -0.085 -6.506 6.836 1.00 0.00 N ATOM 637 CA ILE A 43 0.271 -7.796 6.264 1.00 0.00 C ATOM 638 C ILE A 43 -0.163 -8.919 7.193 1.00 0.00 C ATOM 639 O ILE A 43 -0.617 -9.968 6.738 1.00 0.00 O ATOM 640 CB ILE A 43 1.790 -7.910 6.019 1.00 0.00 C ATOM 641 CG1 ILE A 43 2.281 -6.757 5.141 1.00 0.00 C ATOM 642 CG2 ILE A 43 2.132 -9.251 5.379 1.00 0.00 C ATOM 643 CD1 ILE A 43 3.781 -6.741 4.938 1.00 0.00 C ATOM 0 H ILE A 43 0.686 -6.025 7.299 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.244 -7.880 5.307 1.00 0.00 H new ATOM 0 HB ILE A 43 2.297 -7.850 6.982 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.793 -6.819 4.169 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.974 -5.813 5.592 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.208 -9.312 5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.820 -10.060 6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.613 -9.342 4.425 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.054 -5.896 4.306 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.278 -6.647 5.904 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.093 -7.669 4.458 1.00 0.00 H new ATOM 655 N ASN A 44 -0.034 -8.680 8.489 1.00 0.00 N ATOM 656 CA ASN A 44 -0.361 -9.671 9.499 1.00 0.00 C ATOM 657 C ASN A 44 -1.835 -10.058 9.437 1.00 0.00 C ATOM 658 O ASN A 44 -2.181 -11.228 9.246 1.00 0.00 O ATOM 659 CB ASN A 44 -0.037 -9.121 10.890 1.00 0.00 C ATOM 660 CG ASN A 44 -0.204 -10.163 11.971 1.00 0.00 C ATOM 661 OD1 ASN A 44 -1.294 -10.349 12.518 1.00 0.00 O ATOM 662 ND2 ASN A 44 0.880 -10.841 12.298 1.00 0.00 N ATOM 0 H ASN A 44 0.300 -7.794 8.869 1.00 0.00 H new ATOM 0 HA ASN A 44 0.237 -10.561 9.304 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.988 -8.749 10.902 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.687 -8.272 11.103 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.836 -11.551 13.029 1.00 0.00 H new ATOM 0 HD22 ASN A 44 1.762 -10.655 11.820 1.00 0.00 H new ATOM 669 N ALA A 45 -2.693 -9.061 9.579 1.00 0.00 N ATOM 670 CA ALA A 45 -4.129 -9.286 9.646 1.00 0.00 C ATOM 671 C ALA A 45 -4.789 -9.223 8.268 1.00 0.00 C ATOM 672 O ALA A 45 -6.011 -9.157 8.167 1.00 0.00 O ATOM 673 CB ALA A 45 -4.769 -8.275 10.587 1.00 0.00 C ATOM 0 H ALA A 45 -2.418 -8.081 9.651 1.00 0.00 H new ATOM 0 HA ALA A 45 -4.287 -10.293 10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -5.844 -8.450 10.632 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.342 -8.384 11.584 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -4.580 -7.266 10.220 1.00 0.00 H new ATOM 679 N SER A 46 -3.985 -9.267 7.212 1.00 0.00 N ATOM 680 CA SER A 46 -4.516 -9.217 5.857 1.00 0.00 C ATOM 681 C SER A 46 -5.292 -10.490 5.532 1.00 0.00 C ATOM 682 O SER A 46 -4.934 -11.578 5.988 1.00 0.00 O ATOM 683 CB SER A 46 -3.383 -9.046 4.843 1.00 0.00 C ATOM 684 OG SER A 46 -2.470 -10.134 4.902 1.00 0.00 O ATOM 0 H SER A 46 -2.969 -9.337 7.268 1.00 0.00 H new ATOM 0 HA SER A 46 -5.190 -8.362 5.795 1.00 0.00 H new ATOM 0 HB2 SER A 46 -3.799 -8.971 3.838 1.00 0.00 H new ATOM 0 HB3 SER A 46 -2.854 -8.113 5.039 1.00 0.00 H new ATOM 0 HG SER A 46 -1.922 -10.057 5.711 1.00 0.00 H new ATOM 690 N SER A 47 -6.343 -10.356 4.732 1.00 0.00 N ATOM 691 CA SER A 47 -7.127 -11.506 4.289 1.00 0.00 C ATOM 692 C SER A 47 -6.402 -12.296 3.196 1.00 0.00 C ATOM 693 O SER A 47 -7.006 -13.122 2.510 1.00 0.00 O ATOM 694 CB SER A 47 -8.492 -11.042 3.776 1.00 0.00 C ATOM 695 OG SER A 47 -9.194 -10.332 4.777 1.00 0.00 O ATOM 0 H SER A 47 -6.674 -9.460 4.375 1.00 0.00 H new ATOM 0 HA SER A 47 -7.263 -12.166 5.146 1.00 0.00 H new ATOM 0 HB2 SER A 47 -8.359 -10.407 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.078 -11.905 3.458 1.00 0.00 H new ATOM 0 HG SER A 47 -9.023 -9.372 4.678 1.00 0.00 H new ATOM 701 N LEU A 48 -5.109 -12.056 3.048 1.00 0.00 N ATOM 702 CA LEU A 48 -4.314 -12.750 2.054 1.00 0.00 C ATOM 703 C LEU A 48 -3.921 -14.135 2.558 1.00 0.00 C ATOM 704 O LEU A 48 -3.349 -14.264 3.641 1.00 0.00 O ATOM 705 CB LEU A 48 -3.064 -11.938 1.715 1.00 0.00 C ATOM 706 CG LEU A 48 -3.322 -10.638 0.952 1.00 0.00 C ATOM 707 CD1 LEU A 48 -2.027 -9.864 0.771 1.00 0.00 C ATOM 708 CD2 LEU A 48 -3.956 -10.936 -0.402 1.00 0.00 C ATOM 0 H LEU A 48 -4.588 -11.382 3.608 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.913 -12.866 1.151 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -2.542 -11.700 2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.394 -12.562 1.123 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.013 -10.026 1.532 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.228 -8.941 0.226 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.607 -9.625 1.748 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.316 -10.470 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.134 -10.001 -0.934 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.285 -11.565 -0.987 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.903 -11.455 -0.254 1.00 0.00 H new ATOM 720 N PRO A 49 -4.261 -15.183 1.793 1.00 0.00 N ATOM 721 CA PRO A 49 -3.910 -16.574 2.124 1.00 0.00 C ATOM 722 C PRO A 49 -2.418 -16.755 2.434 1.00 0.00 C ATOM 723 O PRO A 49 -1.589 -15.925 2.049 1.00 0.00 O ATOM 724 CB PRO A 49 -4.267 -17.331 0.843 1.00 0.00 C ATOM 725 CG PRO A 49 -5.354 -16.527 0.218 1.00 0.00 C ATOM 726 CD PRO A 49 -5.039 -15.095 0.542 1.00 0.00 C ATOM 0 HA PRO A 49 -4.430 -16.919 3.018 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.406 -17.415 0.180 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.601 -18.345 1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -5.388 -16.686 -0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.329 -16.812 0.613 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.465 -14.621 -0.254 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -5.946 -14.506 0.675 1.00 0.00 H new ATOM 734 N PRO A 50 -2.062 -17.855 3.122 1.00 0.00 N ATOM 735 CA PRO A 50 -0.668 -18.182 3.460 1.00 0.00 C ATOM 736 C PRO A 50 0.260 -18.127 2.245 1.00 0.00 C ATOM 737 O PRO A 50 1.436 -17.788 2.369 1.00 0.00 O ATOM 738 CB PRO A 50 -0.763 -19.608 4.004 1.00 0.00 C ATOM 739 CG PRO A 50 -2.148 -19.708 4.545 1.00 0.00 C ATOM 740 CD PRO A 50 -3.002 -18.866 3.642 1.00 0.00 C ATOM 0 HA PRO A 50 -0.242 -17.469 4.166 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.589 -20.345 3.220 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.019 -19.787 4.781 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -2.490 -20.743 4.554 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.193 -19.348 5.573 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -3.440 -19.457 2.838 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -3.827 -18.405 4.185 1.00 0.00 H new ATOM 748 N PHE A 51 -0.284 -18.447 1.071 1.00 0.00 N ATOM 749 CA PHE A 51 0.463 -18.357 -0.181 1.00 0.00 C ATOM 750 C PHE A 51 1.064 -16.962 -0.353 1.00 0.00 C ATOM 751 O PHE A 51 2.262 -16.814 -0.620 1.00 0.00 O ATOM 752 CB PHE A 51 -0.458 -18.684 -1.362 1.00 0.00 C ATOM 753 CG PHE A 51 0.242 -18.718 -2.692 1.00 0.00 C ATOM 754 CD1 PHE A 51 0.938 -19.846 -3.094 1.00 0.00 C ATOM 755 CD2 PHE A 51 0.202 -17.622 -3.539 1.00 0.00 C ATOM 756 CE1 PHE A 51 1.582 -19.880 -4.317 1.00 0.00 C ATOM 757 CE2 PHE A 51 0.843 -17.650 -4.761 1.00 0.00 C ATOM 758 CZ PHE A 51 1.534 -18.779 -5.151 1.00 0.00 C ATOM 0 H PHE A 51 -1.245 -18.772 0.962 1.00 0.00 H new ATOM 0 HA PHE A 51 1.278 -19.080 -0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -0.928 -19.651 -1.186 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -1.257 -17.944 -1.402 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.978 -20.708 -2.445 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -0.337 -16.735 -3.239 1.00 0.00 H new ATOM 0 HE1 PHE A 51 2.121 -20.765 -4.620 1.00 0.00 H new ATOM 0 HE2 PHE A 51 0.804 -16.789 -5.412 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.037 -18.802 -6.107 1.00 0.00 H new ATOM 768 N TYR A 52 0.231 -15.941 -0.182 1.00 0.00 N ATOM 769 CA TYR A 52 0.664 -14.563 -0.320 1.00 0.00 C ATOM 770 C TYR A 52 1.585 -14.174 0.830 1.00 0.00 C ATOM 771 O TYR A 52 2.585 -13.486 0.627 1.00 0.00 O ATOM 772 CB TYR A 52 -0.550 -13.639 -0.358 1.00 0.00 C ATOM 773 CG TYR A 52 -1.409 -13.801 -1.592 1.00 0.00 C ATOM 774 CD1 TYR A 52 -2.442 -14.729 -1.626 1.00 0.00 C ATOM 775 CD2 TYR A 52 -1.192 -13.020 -2.720 1.00 0.00 C ATOM 776 CE1 TYR A 52 -3.233 -14.874 -2.746 1.00 0.00 C ATOM 777 CE2 TYR A 52 -1.983 -13.158 -3.846 1.00 0.00 C ATOM 778 CZ TYR A 52 -3.001 -14.088 -3.853 1.00 0.00 C ATOM 779 OH TYR A 52 -3.793 -14.226 -4.968 1.00 0.00 O ATOM 0 H TYR A 52 -0.755 -16.048 0.054 1.00 0.00 H new ATOM 0 HA TYR A 52 1.218 -14.462 -1.253 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.162 -13.824 0.525 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -0.209 -12.605 -0.299 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.629 -15.347 -0.761 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.393 -12.293 -2.718 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.031 -15.601 -2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -1.804 -12.541 -4.714 1.00 0.00 H new ATOM 0 HH TYR A 52 -3.498 -13.597 -5.659 1.00 0.00 H new ATOM 789 N LYS A 53 1.231 -14.620 2.038 1.00 0.00 N ATOM 790 CA LYS A 53 2.060 -14.409 3.222 1.00 0.00 C ATOM 791 C LYS A 53 3.509 -14.830 2.969 1.00 0.00 C ATOM 792 O LYS A 53 4.434 -14.047 3.177 1.00 0.00 O ATOM 793 CB LYS A 53 1.499 -15.203 4.401 1.00 0.00 C ATOM 794 CG LYS A 53 0.139 -14.726 4.885 1.00 0.00 C ATOM 795 CD LYS A 53 0.213 -13.300 5.399 1.00 0.00 C ATOM 796 CE LYS A 53 -0.946 -12.973 6.322 1.00 0.00 C ATOM 797 NZ LYS A 53 -2.251 -12.887 5.614 1.00 0.00 N ATOM 0 H LYS A 53 0.368 -15.133 2.220 1.00 0.00 H new ATOM 0 HA LYS A 53 2.046 -13.344 3.454 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.422 -16.252 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.206 -15.150 5.229 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.582 -14.785 4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.220 -15.383 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 53 1.153 -13.153 5.930 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.212 -12.609 4.556 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.010 -13.735 7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.748 -12.025 6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.019 -13.135 6.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.393 -11.918 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.255 -13.548 4.811 1.00 0.00 H new ATOM 811 N GLU A 54 3.689 -16.063 2.503 1.00 0.00 N ATOM 812 CA GLU A 54 5.019 -16.623 2.256 1.00 0.00 C ATOM 813 C GLU A 54 5.843 -15.752 1.306 1.00 0.00 C ATOM 814 O GLU A 54 7.005 -15.460 1.580 1.00 0.00 O ATOM 815 CB GLU A 54 4.899 -18.037 1.684 1.00 0.00 C ATOM 816 CG GLU A 54 4.463 -19.077 2.704 1.00 0.00 C ATOM 817 CD GLU A 54 5.491 -19.275 3.799 1.00 0.00 C ATOM 818 OE1 GLU A 54 6.646 -19.618 3.475 1.00 0.00 O ATOM 819 OE2 GLU A 54 5.147 -19.102 4.988 1.00 0.00 O ATOM 0 H GLU A 54 2.923 -16.701 2.286 1.00 0.00 H new ATOM 0 HA GLU A 54 5.539 -16.655 3.214 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.184 -18.027 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.861 -18.333 1.266 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.516 -18.772 3.149 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.286 -20.026 2.199 1.00 0.00 H new ATOM 826 N ARG A 55 5.243 -15.335 0.193 1.00 0.00 N ATOM 827 CA ARG A 55 5.951 -14.511 -0.785 1.00 0.00 C ATOM 828 C ARG A 55 6.418 -13.194 -0.177 1.00 0.00 C ATOM 829 O ARG A 55 7.524 -12.731 -0.458 1.00 0.00 O ATOM 830 CB ARG A 55 5.067 -14.238 -2.003 1.00 0.00 C ATOM 831 CG ARG A 55 5.277 -15.224 -3.140 1.00 0.00 C ATOM 832 CD ARG A 55 6.729 -15.222 -3.600 1.00 0.00 C ATOM 833 NE ARG A 55 6.913 -15.871 -4.897 1.00 0.00 N ATOM 834 CZ ARG A 55 7.480 -17.064 -5.057 1.00 0.00 C ATOM 835 NH1 ARG A 55 7.798 -17.792 -3.999 1.00 0.00 N ATOM 836 NH2 ARG A 55 7.717 -17.538 -6.274 1.00 0.00 N ATOM 0 H ARG A 55 4.277 -15.551 -0.053 1.00 0.00 H new ATOM 0 HA ARG A 55 6.832 -15.069 -1.102 1.00 0.00 H new ATOM 0 HB2 ARG A 55 4.021 -14.267 -1.696 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.265 -13.230 -2.366 1.00 0.00 H new ATOM 0 HG2 ARG A 55 4.996 -16.226 -2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 55 4.626 -14.966 -3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.085 -14.194 -3.660 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.342 -15.729 -2.855 1.00 0.00 H new ATOM 0 HE ARG A 55 6.587 -15.380 -5.729 1.00 0.00 H new ATOM 0 HH11 ARG A 55 7.608 -17.439 -3.061 1.00 0.00 H new ATOM 0 HH12 ARG A 55 8.233 -18.707 -4.121 1.00 0.00 H new ATOM 0 HH21 ARG A 55 7.464 -16.987 -7.094 1.00 0.00 H new ATOM 0 HH22 ARG A 55 8.152 -18.453 -6.389 1.00 0.00 H new ATOM 850 N LEU A 56 5.581 -12.603 0.659 1.00 0.00 N ATOM 851 CA LEU A 56 5.911 -11.337 1.299 1.00 0.00 C ATOM 852 C LEU A 56 6.970 -11.532 2.380 1.00 0.00 C ATOM 853 O LEU A 56 7.964 -10.810 2.430 1.00 0.00 O ATOM 854 CB LEU A 56 4.656 -10.708 1.903 1.00 0.00 C ATOM 855 CG LEU A 56 3.597 -10.271 0.887 1.00 0.00 C ATOM 856 CD1 LEU A 56 2.390 -9.685 1.597 1.00 0.00 C ATOM 857 CD2 LEU A 56 4.185 -9.266 -0.096 1.00 0.00 C ATOM 0 H LEU A 56 4.667 -12.978 0.912 1.00 0.00 H new ATOM 0 HA LEU A 56 6.315 -10.668 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.205 -11.423 2.591 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.951 -9.841 2.493 1.00 0.00 H new ATOM 0 HG LEU A 56 3.271 -11.147 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.647 -9.380 0.860 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.957 -10.435 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.698 -8.819 2.183 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.419 -8.966 -0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.538 -8.389 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.019 -9.723 -0.628 1.00 0.00 H new ATOM 869 N LEU A 57 6.756 -12.527 3.228 1.00 0.00 N ATOM 870 CA LEU A 57 7.649 -12.818 4.330 1.00 0.00 C ATOM 871 C LEU A 57 9.047 -13.210 3.849 1.00 0.00 C ATOM 872 O LEU A 57 10.037 -13.003 4.554 1.00 0.00 O ATOM 873 CB LEU A 57 7.047 -13.945 5.163 1.00 0.00 C ATOM 874 CG LEU A 57 5.793 -13.575 5.958 1.00 0.00 C ATOM 875 CD1 LEU A 57 5.261 -14.786 6.707 1.00 0.00 C ATOM 876 CD2 LEU A 57 6.088 -12.439 6.921 1.00 0.00 C ATOM 0 H LEU A 57 5.954 -13.155 3.167 1.00 0.00 H new ATOM 0 HA LEU A 57 7.760 -11.916 4.931 1.00 0.00 H new ATOM 0 HB2 LEU A 57 6.804 -14.775 4.499 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.805 -14.305 5.859 1.00 0.00 H new ATOM 0 HG LEU A 57 5.028 -13.240 5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.369 -14.505 7.267 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.010 -15.572 5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.022 -15.151 7.397 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.184 -12.190 7.477 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.870 -12.745 7.616 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.422 -11.565 6.362 1.00 0.00 H new ATOM 888 N ALA A 58 9.128 -13.777 2.655 1.00 0.00 N ATOM 889 CA ALA A 58 10.400 -14.238 2.116 1.00 0.00 C ATOM 890 C ALA A 58 10.983 -13.242 1.116 1.00 0.00 C ATOM 891 O ALA A 58 11.900 -13.577 0.364 1.00 0.00 O ATOM 892 CB ALA A 58 10.229 -15.600 1.458 1.00 0.00 C ATOM 0 H ALA A 58 8.328 -13.929 2.040 1.00 0.00 H new ATOM 0 HA ALA A 58 11.100 -14.324 2.947 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.187 -15.934 1.059 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.873 -16.319 2.196 1.00 0.00 H new ATOM 0 HB3 ALA A 58 9.505 -15.524 0.647 1.00 0.00 H new ATOM 898 N LEU A 59 10.475 -12.015 1.121 1.00 0.00 N ATOM 899 CA LEU A 59 10.922 -11.015 0.180 1.00 0.00 C ATOM 900 C LEU A 59 12.107 -10.247 0.737 1.00 0.00 C ATOM 901 O LEU A 59 12.312 -10.177 1.947 1.00 0.00 O ATOM 902 CB LEU A 59 9.785 -10.048 -0.144 1.00 0.00 C ATOM 903 CG LEU A 59 9.369 -9.988 -1.616 1.00 0.00 C ATOM 904 CD1 LEU A 59 8.261 -8.967 -1.811 1.00 0.00 C ATOM 905 CD2 LEU A 59 10.557 -9.656 -2.505 1.00 0.00 C ATOM 0 H LEU A 59 9.754 -11.696 1.769 1.00 0.00 H new ATOM 0 HA LEU A 59 11.232 -11.521 -0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 59 8.915 -10.326 0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 59 10.081 -9.048 0.173 1.00 0.00 H new ATOM 0 HG LEU A 59 8.995 -10.971 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 59 7.976 -8.936 -2.863 1.00 0.00 H new ATOM 0 HD12 LEU A 59 7.397 -9.248 -1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 59 8.614 -7.983 -1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 59 10.234 -9.620 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 59 10.967 -8.688 -2.218 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.323 -10.423 -2.390 1.00 0.00 H new ATOM 917 N ASN A 60 12.866 -9.662 -0.164 1.00 0.00 N ATOM 918 CA ASN A 60 14.035 -8.870 0.189 1.00 0.00 C ATOM 919 C ASN A 60 13.671 -7.396 0.130 1.00 0.00 C ATOM 920 O ASN A 60 14.532 -6.517 0.090 1.00 0.00 O ATOM 921 CB ASN A 60 15.169 -9.175 -0.788 1.00 0.00 C ATOM 922 CG ASN A 60 16.525 -8.671 -0.319 1.00 0.00 C ATOM 923 OD1 ASN A 60 17.351 -8.253 -1.133 1.00 0.00 O ATOM 924 ND2 ASN A 60 16.781 -8.737 0.980 1.00 0.00 N ATOM 0 H ASN A 60 12.693 -9.720 -1.168 1.00 0.00 H new ATOM 0 HA ASN A 60 14.364 -9.118 1.198 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.224 -10.252 -0.943 1.00 0.00 H new ATOM 0 HB3 ASN A 60 14.937 -8.725 -1.753 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.688 -8.436 1.337 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.071 -9.089 1.622 1.00 0.00 H new ATOM 931 N ASP A 61 12.375 -7.140 0.115 1.00 0.00 N ATOM 932 CA ASP A 61 11.869 -5.790 -0.052 1.00 0.00 C ATOM 933 C ASP A 61 11.791 -5.082 1.292 1.00 0.00 C ATOM 934 O ASP A 61 11.488 -5.690 2.319 1.00 0.00 O ATOM 935 CB ASP A 61 10.494 -5.805 -0.720 1.00 0.00 C ATOM 936 CG ASP A 61 10.146 -4.461 -1.327 1.00 0.00 C ATOM 937 OD1 ASP A 61 9.953 -3.490 -0.569 1.00 0.00 O ATOM 938 OD2 ASP A 61 10.113 -4.357 -2.567 1.00 0.00 O ATOM 0 H ASP A 61 11.652 -7.852 0.217 1.00 0.00 H new ATOM 0 HA ASP A 61 12.560 -5.246 -0.696 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.476 -6.570 -1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.737 -6.079 0.014 1.00 0.00 H new ATOM 943 N SER A 62 12.070 -3.793 1.262 1.00 0.00 N ATOM 944 CA SER A 62 12.093 -2.967 2.462 1.00 0.00 C ATOM 945 C SER A 62 10.680 -2.623 2.939 1.00 0.00 C ATOM 946 O SER A 62 10.496 -2.159 4.065 1.00 0.00 O ATOM 947 CB SER A 62 12.873 -1.686 2.187 1.00 0.00 C ATOM 948 OG SER A 62 14.100 -1.969 1.531 1.00 0.00 O ATOM 0 H SER A 62 12.288 -3.285 0.405 1.00 0.00 H new ATOM 0 HA SER A 62 12.581 -3.536 3.253 1.00 0.00 H new ATOM 0 HB2 SER A 62 12.273 -1.016 1.571 1.00 0.00 H new ATOM 0 HB3 SER A 62 13.069 -1.167 3.125 1.00 0.00 H new ATOM 0 HG SER A 62 14.582 -1.132 1.363 1.00 0.00 H new ATOM 954 N ARG A 63 9.691 -2.841 2.077 1.00 0.00 N ATOM 955 CA ARG A 63 8.296 -2.621 2.452 1.00 0.00 C ATOM 956 C ARG A 63 7.868 -3.641 3.500 1.00 0.00 C ATOM 957 O ARG A 63 6.974 -3.385 4.308 1.00 0.00 O ATOM 958 CB ARG A 63 7.376 -2.711 1.229 1.00 0.00 C ATOM 959 CG ARG A 63 7.536 -1.560 0.245 1.00 0.00 C ATOM 960 CD ARG A 63 7.173 -0.229 0.884 1.00 0.00 C ATOM 961 NE ARG A 63 7.227 0.875 -0.077 1.00 0.00 N ATOM 962 CZ ARG A 63 7.884 2.012 0.134 1.00 0.00 C ATOM 963 NH1 ARG A 63 8.587 2.181 1.243 1.00 0.00 N ATOM 964 NH2 ARG A 63 7.844 2.983 -0.770 1.00 0.00 N ATOM 0 H ARG A 63 9.827 -3.168 1.120 1.00 0.00 H new ATOM 0 HA ARG A 63 8.212 -1.618 2.870 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.571 -3.649 0.709 1.00 0.00 H new ATOM 0 HB3 ARG A 63 6.341 -2.744 1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 63 8.565 -1.525 -0.112 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.902 -1.732 -0.625 1.00 0.00 H new ATOM 0 HD2 ARG A 63 6.171 -0.292 1.308 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.856 -0.025 1.709 1.00 0.00 H new ATOM 0 HE ARG A 63 6.731 0.765 -0.961 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.626 1.437 1.940 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.089 3.055 1.400 1.00 0.00 H new ATOM 0 HH21 ARG A 63 7.308 2.858 -1.629 1.00 0.00 H new ATOM 0 HH22 ARG A 63 8.349 3.854 -0.606 1.00 0.00 H new ATOM 978 N ILE A 64 8.528 -4.789 3.489 1.00 0.00 N ATOM 979 CA ILE A 64 8.239 -5.843 4.443 1.00 0.00 C ATOM 980 C ILE A 64 8.872 -5.516 5.791 1.00 0.00 C ATOM 981 O ILE A 64 10.096 -5.428 5.913 1.00 0.00 O ATOM 982 CB ILE A 64 8.749 -7.212 3.939 1.00 0.00 C ATOM 983 CG1 ILE A 64 8.167 -7.526 2.555 1.00 0.00 C ATOM 984 CG2 ILE A 64 8.395 -8.315 4.930 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.655 -7.512 2.506 1.00 0.00 C ATOM 0 H ILE A 64 9.270 -5.013 2.826 1.00 0.00 H new ATOM 0 HA ILE A 64 7.157 -5.906 4.557 1.00 0.00 H new ATOM 0 HB ILE A 64 9.835 -7.163 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 64 8.550 -6.800 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.522 -8.506 2.237 1.00 0.00 H new ATOM 0 HG21 ILE A 64 8.763 -9.271 4.557 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.856 -8.100 5.894 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.313 -8.364 5.049 1.00 0.00 H new ATOM 0 HD11 ILE A 64 6.322 -7.743 1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.262 -8.258 3.197 1.00 0.00 H new ATOM 0 HD13 ILE A 64 6.291 -6.525 2.791 1.00 0.00 H new ATOM 997 N THR A 65 8.031 -5.310 6.790 1.00 0.00 N ATOM 998 CA THR A 65 8.492 -4.936 8.114 1.00 0.00 C ATOM 999 C THR A 65 8.360 -6.097 9.092 1.00 0.00 C ATOM 1000 O THR A 65 7.590 -7.031 8.860 1.00 0.00 O ATOM 1001 CB THR A 65 7.690 -3.735 8.648 1.00 0.00 C ATOM 1002 OG1 THR A 65 6.285 -3.997 8.525 1.00 0.00 O ATOM 1003 CG2 THR A 65 8.050 -2.464 7.890 1.00 0.00 C ATOM 0 H THR A 65 7.018 -5.397 6.707 1.00 0.00 H new ATOM 0 HA THR A 65 9.544 -4.664 8.027 1.00 0.00 H new ATOM 0 HB THR A 65 7.941 -3.590 9.699 1.00 0.00 H new ATOM 0 HG1 THR A 65 5.889 -3.365 7.890 1.00 0.00 H new ATOM 0 HG21 THR A 65 7.471 -1.629 8.284 1.00 0.00 H new ATOM 0 HG22 THR A 65 9.113 -2.257 8.010 1.00 0.00 H new ATOM 0 HG23 THR A 65 7.823 -2.595 6.832 1.00 0.00 H new ATOM 1011 N SER A 66 9.109 -6.032 10.187 1.00 0.00 N ATOM 1012 CA SER A 66 9.039 -7.044 11.231 1.00 0.00 C ATOM 1013 C SER A 66 7.713 -6.944 11.986 1.00 0.00 C ATOM 1014 O SER A 66 7.225 -7.924 12.553 1.00 0.00 O ATOM 1015 CB SER A 66 10.221 -6.869 12.184 1.00 0.00 C ATOM 1016 OG SER A 66 10.406 -5.499 12.498 1.00 0.00 O ATOM 0 H SER A 66 9.776 -5.283 10.374 1.00 0.00 H new ATOM 0 HA SER A 66 9.091 -8.034 10.778 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.047 -7.437 13.098 1.00 0.00 H new ATOM 0 HB3 SER A 66 11.126 -7.269 11.728 1.00 0.00 H new ATOM 0 HG SER A 66 11.165 -5.403 13.110 1.00 0.00 H new ATOM 1022 N ASP A 67 7.134 -5.747 11.984 1.00 0.00 N ATOM 1023 CA ASP A 67 5.830 -5.519 12.591 1.00 0.00 C ATOM 1024 C ASP A 67 4.751 -6.202 11.759 1.00 0.00 C ATOM 1025 O ASP A 67 3.734 -6.663 12.280 1.00 0.00 O ATOM 1026 CB ASP A 67 5.562 -4.015 12.702 1.00 0.00 C ATOM 1027 CG ASP A 67 4.307 -3.689 13.490 1.00 0.00 C ATOM 1028 OD1 ASP A 67 4.305 -3.880 14.728 1.00 0.00 O ATOM 1029 OD2 ASP A 67 3.335 -3.193 12.888 1.00 0.00 O ATOM 0 H ASP A 67 7.552 -4.916 11.565 1.00 0.00 H new ATOM 0 HA ASP A 67 5.816 -5.944 13.595 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.417 -3.534 13.177 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.475 -3.593 11.701 1.00 0.00 H new ATOM 1034 N GLY A 68 5.006 -6.293 10.463 1.00 0.00 N ATOM 1035 CA GLY A 68 4.105 -6.982 9.562 1.00 0.00 C ATOM 1036 C GLY A 68 3.082 -6.057 8.944 1.00 0.00 C ATOM 1037 O GLY A 68 1.919 -6.429 8.786 1.00 0.00 O ATOM 0 H GLY A 68 5.832 -5.897 10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 68 4.683 -7.459 8.771 1.00 0.00 H new ATOM 0 HA3 GLY A 68 3.591 -7.776 10.104 1.00 0.00 H new ATOM 1041 N VAL A 69 3.509 -4.852 8.590 1.00 0.00 N ATOM 1042 CA VAL A 69 2.605 -3.860 8.021 1.00 0.00 C ATOM 1043 C VAL A 69 3.289 -3.075 6.903 1.00 0.00 C ATOM 1044 O VAL A 69 4.457 -2.702 7.019 1.00 0.00 O ATOM 1045 CB VAL A 69 2.103 -2.864 9.094 1.00 0.00 C ATOM 1046 CG1 VAL A 69 1.146 -1.851 8.489 1.00 0.00 C ATOM 1047 CG2 VAL A 69 1.435 -3.592 10.248 1.00 0.00 C ATOM 0 H VAL A 69 4.475 -4.538 8.686 1.00 0.00 H new ATOM 0 HA VAL A 69 1.753 -4.407 7.618 1.00 0.00 H new ATOM 0 HB VAL A 69 2.972 -2.332 9.481 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.808 -1.163 9.263 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.656 -1.292 7.704 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.287 -2.370 8.065 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.093 -2.867 10.986 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.583 -4.160 9.875 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.150 -4.272 10.712 1.00 0.00 H new ATOM 1057 N ILE A 70 2.560 -2.845 5.820 1.00 0.00 N ATOM 1058 CA ILE A 70 3.020 -1.967 4.755 1.00 0.00 C ATOM 1059 C ILE A 70 2.683 -0.527 5.113 1.00 0.00 C ATOM 1060 O ILE A 70 1.511 -0.142 5.137 1.00 0.00 O ATOM 1061 CB ILE A 70 2.364 -2.317 3.395 1.00 0.00 C ATOM 1062 CG1 ILE A 70 2.730 -3.737 2.961 1.00 0.00 C ATOM 1063 CG2 ILE A 70 2.772 -1.311 2.325 1.00 0.00 C ATOM 1064 CD1 ILE A 70 4.205 -3.924 2.681 1.00 0.00 C ATOM 0 H ILE A 70 1.642 -3.258 5.656 1.00 0.00 H new ATOM 0 HA ILE A 70 4.097 -2.098 4.654 1.00 0.00 H new ATOM 0 HB ILE A 70 1.282 -2.267 3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.425 -4.436 3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.164 -3.991 2.065 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.301 -1.575 1.378 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.452 -0.313 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.856 -1.325 2.207 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.390 -4.955 2.379 1.00 0.00 H new ATOM 0 HD12 ILE A 70 4.512 -3.250 1.881 1.00 0.00 H new ATOM 0 HD13 ILE A 70 4.777 -3.702 3.582 1.00 0.00 H new ATOM 1076 N VAL A 71 3.705 0.250 5.425 1.00 0.00 N ATOM 1077 CA VAL A 71 3.513 1.642 5.795 1.00 0.00 C ATOM 1078 C VAL A 71 4.207 2.556 4.797 1.00 0.00 C ATOM 1079 O VAL A 71 5.395 2.400 4.519 1.00 0.00 O ATOM 1080 CB VAL A 71 4.060 1.941 7.208 1.00 0.00 C ATOM 1081 CG1 VAL A 71 3.753 3.375 7.615 1.00 0.00 C ATOM 1082 CG2 VAL A 71 3.503 0.961 8.222 1.00 0.00 C ATOM 0 H VAL A 71 4.677 -0.059 5.430 1.00 0.00 H new ATOM 0 HA VAL A 71 2.439 1.828 5.790 1.00 0.00 H new ATOM 0 HB VAL A 71 5.143 1.821 7.183 1.00 0.00 H new ATOM 0 HG11 VAL A 71 4.148 3.562 8.614 1.00 0.00 H new ATOM 0 HG12 VAL A 71 4.217 4.061 6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.674 3.530 7.617 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.903 1.192 9.209 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.416 1.038 8.244 1.00 0.00 H new ATOM 0 HG23 VAL A 71 3.789 -0.053 7.943 1.00 0.00 H new ATOM 1092 N LEU A 72 3.461 3.502 4.250 1.00 0.00 N ATOM 1093 CA LEU A 72 4.030 4.471 3.326 1.00 0.00 C ATOM 1094 C LEU A 72 3.388 5.835 3.499 1.00 0.00 C ATOM 1095 O LEU A 72 2.315 5.970 4.096 1.00 0.00 O ATOM 1096 CB LEU A 72 3.893 4.028 1.863 1.00 0.00 C ATOM 1097 CG LEU A 72 2.477 3.670 1.391 1.00 0.00 C ATOM 1098 CD1 LEU A 72 2.367 3.823 -0.118 1.00 0.00 C ATOM 1099 CD2 LEU A 72 2.120 2.245 1.790 1.00 0.00 C ATOM 0 H LEU A 72 2.464 3.620 4.428 1.00 0.00 H new ATOM 0 HA LEU A 72 5.091 4.537 3.566 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.274 4.827 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.535 3.161 1.706 1.00 0.00 H new ATOM 0 HG LEU A 72 1.778 4.354 1.871 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.357 3.565 -0.437 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.583 4.855 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.082 3.159 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.112 2.012 1.446 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.828 1.552 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.164 2.149 2.875 1.00 0.00 H new ATOM 1111 N LYS A 73 4.067 6.836 2.966 1.00 0.00 N ATOM 1112 CA LYS A 73 3.606 8.214 3.001 1.00 0.00 C ATOM 1113 C LYS A 73 3.850 8.830 1.633 1.00 0.00 C ATOM 1114 O LYS A 73 4.990 9.107 1.258 1.00 0.00 O ATOM 1115 CB LYS A 73 4.341 9.012 4.078 1.00 0.00 C ATOM 1116 CG LYS A 73 4.307 8.355 5.451 1.00 0.00 C ATOM 1117 CD LYS A 73 5.068 9.165 6.488 1.00 0.00 C ATOM 1118 CE LYS A 73 5.085 8.451 7.833 1.00 0.00 C ATOM 1119 NZ LYS A 73 5.809 9.229 8.873 1.00 0.00 N ATOM 0 H LYS A 73 4.962 6.714 2.492 1.00 0.00 H new ATOM 0 HA LYS A 73 2.544 8.237 3.244 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.379 9.147 3.774 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.898 10.005 4.148 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.272 8.237 5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.736 7.355 5.385 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.090 9.330 6.147 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.606 10.146 6.599 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.061 8.274 8.161 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.556 7.475 7.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.795 8.705 9.771 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.794 9.376 8.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.345 10.151 9.003 1.00 0.00 H new ATOM 1133 N ALA A 74 2.784 9.018 0.886 1.00 0.00 N ATOM 1134 CA ALA A 74 2.898 9.365 -0.523 1.00 0.00 C ATOM 1135 C ALA A 74 2.425 10.780 -0.822 1.00 0.00 C ATOM 1136 O ALA A 74 1.248 11.109 -0.668 1.00 0.00 O ATOM 1137 CB ALA A 74 2.122 8.367 -1.370 1.00 0.00 C ATOM 0 H ALA A 74 1.826 8.938 1.226 1.00 0.00 H new ATOM 0 HA ALA A 74 3.957 9.323 -0.776 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.213 8.635 -2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.525 7.366 -1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.071 8.384 -1.081 1.00 0.00 H new ATOM 1143 N GLN A 75 3.367 11.610 -1.235 1.00 0.00 N ATOM 1144 CA GLN A 75 3.063 12.899 -1.838 1.00 0.00 C ATOM 1145 C GLN A 75 3.680 12.906 -3.233 1.00 0.00 C ATOM 1146 O GLN A 75 4.076 13.944 -3.767 1.00 0.00 O ATOM 1147 CB GLN A 75 3.615 14.049 -0.987 1.00 0.00 C ATOM 1148 CG GLN A 75 3.045 15.413 -1.360 1.00 0.00 C ATOM 1149 CD GLN A 75 3.645 16.549 -0.555 1.00 0.00 C ATOM 1150 OE1 GLN A 75 2.984 17.555 -0.296 1.00 0.00 O ATOM 1151 NE2 GLN A 75 4.907 16.412 -0.173 1.00 0.00 N ATOM 0 H GLN A 75 4.365 11.411 -1.162 1.00 0.00 H new ATOM 0 HA GLN A 75 1.984 13.044 -1.899 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.399 13.849 0.063 1.00 0.00 H new ATOM 0 HB3 GLN A 75 4.700 14.078 -1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.220 15.595 -2.420 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.965 15.402 -1.212 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.421 15.563 -0.407 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.364 17.156 0.355 1.00 0.00 H new ATOM 1160 N GLN A 76 3.745 11.706 -3.809 1.00 0.00 N ATOM 1161 CA GLN A 76 4.382 11.470 -5.100 1.00 0.00 C ATOM 1162 C GLN A 76 3.757 12.339 -6.186 1.00 0.00 C ATOM 1163 O GLN A 76 4.457 12.887 -7.041 1.00 0.00 O ATOM 1164 CB GLN A 76 4.253 9.987 -5.470 1.00 0.00 C ATOM 1165 CG GLN A 76 5.023 9.588 -6.722 1.00 0.00 C ATOM 1166 CD GLN A 76 4.837 8.126 -7.087 1.00 0.00 C ATOM 1167 OE1 GLN A 76 5.735 7.487 -7.639 1.00 0.00 O ATOM 1168 NE2 GLN A 76 3.665 7.590 -6.789 1.00 0.00 N ATOM 0 H GLN A 76 3.353 10.864 -3.387 1.00 0.00 H new ATOM 0 HA GLN A 76 5.436 11.736 -5.022 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.604 9.383 -4.633 1.00 0.00 H new ATOM 0 HB3 GLN A 76 3.199 9.750 -5.614 1.00 0.00 H new ATOM 0 HG2 GLN A 76 4.698 10.210 -7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.084 9.787 -6.570 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.948 8.153 -6.332 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.478 6.613 -7.016 1.00 0.00 H new ATOM 1177 N TYR A 77 2.442 12.464 -6.147 1.00 0.00 N ATOM 1178 CA TYR A 77 1.732 13.284 -7.109 1.00 0.00 C ATOM 1179 C TYR A 77 1.351 14.611 -6.469 1.00 0.00 C ATOM 1180 O TYR A 77 1.327 14.736 -5.243 1.00 0.00 O ATOM 1181 CB TYR A 77 0.487 12.555 -7.612 1.00 0.00 C ATOM 1182 CG TYR A 77 0.107 12.897 -9.037 1.00 0.00 C ATOM 1183 CD1 TYR A 77 -0.735 13.963 -9.324 1.00 0.00 C ATOM 1184 CD2 TYR A 77 0.588 12.138 -10.096 1.00 0.00 C ATOM 1185 CE1 TYR A 77 -1.087 14.265 -10.627 1.00 0.00 C ATOM 1186 CE2 TYR A 77 0.240 12.432 -11.398 1.00 0.00 C ATOM 1187 CZ TYR A 77 -0.598 13.494 -11.659 1.00 0.00 C ATOM 1188 OH TYR A 77 -0.948 13.784 -12.958 1.00 0.00 O ATOM 0 H TYR A 77 1.845 12.007 -5.458 1.00 0.00 H new ATOM 0 HA TYR A 77 2.382 13.477 -7.962 1.00 0.00 H new ATOM 0 HB2 TYR A 77 0.654 11.480 -7.539 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -0.351 12.793 -6.956 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.122 14.567 -8.516 1.00 0.00 H new ATOM 0 HD2 TYR A 77 1.245 11.304 -9.897 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -1.741 15.099 -10.834 1.00 0.00 H new ATOM 0 HE2 TYR A 77 0.623 11.832 -12.210 1.00 0.00 H new ATOM 0 HH TYR A 77 -0.517 13.145 -13.563 1.00 0.00 H new ATOM 1198 N ARG A 78 1.058 15.593 -7.308 1.00 0.00 N ATOM 1199 CA ARG A 78 0.710 16.936 -6.850 1.00 0.00 C ATOM 1200 C ARG A 78 -0.597 16.917 -6.063 1.00 0.00 C ATOM 1201 O ARG A 78 -0.727 17.579 -5.034 1.00 0.00 O ATOM 1202 CB ARG A 78 0.599 17.872 -8.062 1.00 0.00 C ATOM 1203 CG ARG A 78 0.637 19.366 -7.742 1.00 0.00 C ATOM 1204 CD ARG A 78 -0.683 19.890 -7.188 1.00 0.00 C ATOM 1205 NE ARG A 78 -0.705 21.353 -7.144 1.00 0.00 N ATOM 1206 CZ ARG A 78 -1.481 22.075 -6.334 1.00 0.00 C ATOM 1207 NH1 ARG A 78 -2.293 21.480 -5.468 1.00 0.00 N ATOM 1208 NH2 ARG A 78 -1.437 23.399 -6.393 1.00 0.00 N ATOM 0 H ARG A 78 1.054 15.486 -8.322 1.00 0.00 H new ATOM 0 HA ARG A 78 1.493 17.301 -6.185 1.00 0.00 H new ATOM 0 HB2 ARG A 78 1.412 17.644 -8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -0.332 17.653 -8.585 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.430 19.557 -7.019 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.890 19.919 -8.646 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.506 19.531 -7.806 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -0.841 19.493 -6.185 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.083 21.856 -7.777 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.327 20.462 -5.418 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -2.882 22.041 -4.853 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -0.812 23.860 -7.055 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -2.028 23.957 -5.776 1.00 0.00 H new ATOM 1222 N THR A 79 -1.557 16.154 -6.558 1.00 0.00 N ATOM 1223 CA THR A 79 -2.874 16.096 -5.956 1.00 0.00 C ATOM 1224 C THR A 79 -3.056 14.833 -5.117 1.00 0.00 C ATOM 1225 O THR A 79 -2.539 13.762 -5.455 1.00 0.00 O ATOM 1226 CB THR A 79 -3.955 16.154 -7.043 1.00 0.00 C ATOM 1227 OG1 THR A 79 -3.550 15.355 -8.165 1.00 0.00 O ATOM 1228 CG2 THR A 79 -4.199 17.587 -7.493 1.00 0.00 C ATOM 0 H THR A 79 -1.445 15.563 -7.382 1.00 0.00 H new ATOM 0 HA THR A 79 -2.972 16.957 -5.295 1.00 0.00 H new ATOM 0 HB THR A 79 -4.884 15.763 -6.628 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.157 15.516 -8.917 1.00 0.00 H new ATOM 0 HG21 THR A 79 -4.970 17.600 -8.264 1.00 0.00 H new ATOM 0 HG22 THR A 79 -4.526 18.185 -6.642 1.00 0.00 H new ATOM 0 HG23 THR A 79 -3.276 18.004 -7.896 1.00 0.00 H new ATOM 1236 N GLN A 80 -3.805 14.967 -4.030 1.00 0.00 N ATOM 1237 CA GLN A 80 -4.046 13.864 -3.109 1.00 0.00 C ATOM 1238 C GLN A 80 -4.933 12.802 -3.746 1.00 0.00 C ATOM 1239 O GLN A 80 -4.746 11.607 -3.527 1.00 0.00 O ATOM 1240 CB GLN A 80 -4.692 14.389 -1.822 1.00 0.00 C ATOM 1241 CG GLN A 80 -5.179 13.292 -0.891 1.00 0.00 C ATOM 1242 CD GLN A 80 -5.618 13.805 0.469 1.00 0.00 C ATOM 1243 OE1 GLN A 80 -5.551 13.082 1.460 1.00 0.00 O ATOM 1244 NE2 GLN A 80 -6.065 15.049 0.532 1.00 0.00 N ATOM 0 H GLN A 80 -4.261 15.839 -3.763 1.00 0.00 H new ATOM 0 HA GLN A 80 -3.088 13.404 -2.868 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -3.970 15.010 -1.291 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.533 15.031 -2.084 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -6.013 12.771 -1.361 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -4.382 12.561 -0.755 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -6.106 15.620 -0.313 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -6.368 15.437 1.425 1.00 0.00 H new ATOM 1253 N GLU A 81 -5.894 13.248 -4.537 1.00 0.00 N ATOM 1254 CA GLU A 81 -6.832 12.352 -5.195 1.00 0.00 C ATOM 1255 C GLU A 81 -6.094 11.357 -6.079 1.00 0.00 C ATOM 1256 O GLU A 81 -6.467 10.183 -6.169 1.00 0.00 O ATOM 1257 CB GLU A 81 -7.837 13.136 -6.048 1.00 0.00 C ATOM 1258 CG GLU A 81 -8.292 14.460 -5.445 1.00 0.00 C ATOM 1259 CD GLU A 81 -7.300 15.580 -5.694 1.00 0.00 C ATOM 1260 OE1 GLU A 81 -7.338 16.176 -6.788 1.00 0.00 O ATOM 1261 OE2 GLU A 81 -6.466 15.852 -4.806 1.00 0.00 O ATOM 0 H GLU A 81 -6.046 14.236 -4.741 1.00 0.00 H new ATOM 0 HA GLU A 81 -7.372 11.813 -4.416 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -7.390 13.331 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -8.713 12.510 -6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.259 14.735 -5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.435 14.337 -4.371 1.00 0.00 H new ATOM 1268 N GLN A 82 -5.040 11.829 -6.730 1.00 0.00 N ATOM 1269 CA GLN A 82 -4.233 10.971 -7.579 1.00 0.00 C ATOM 1270 C GLN A 82 -3.355 10.067 -6.730 1.00 0.00 C ATOM 1271 O GLN A 82 -3.181 8.899 -7.053 1.00 0.00 O ATOM 1272 CB GLN A 82 -3.386 11.795 -8.546 1.00 0.00 C ATOM 1273 CG GLN A 82 -4.213 12.644 -9.494 1.00 0.00 C ATOM 1274 CD GLN A 82 -5.190 11.825 -10.313 1.00 0.00 C ATOM 1275 OE1 GLN A 82 -4.925 10.670 -10.647 1.00 0.00 O ATOM 1276 NE2 GLN A 82 -6.327 12.417 -10.629 1.00 0.00 N ATOM 0 H GLN A 82 -4.726 12.799 -6.685 1.00 0.00 H new ATOM 0 HA GLN A 82 -4.903 10.349 -8.172 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.721 12.443 -7.975 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -2.754 11.124 -9.128 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -4.763 13.391 -8.921 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -3.547 13.185 -10.166 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.503 13.376 -10.330 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.030 11.915 -11.172 1.00 0.00 H new ATOM 1285 N ASN A 83 -2.820 10.610 -5.635 1.00 0.00 N ATOM 1286 CA ASN A 83 -2.034 9.819 -4.687 1.00 0.00 C ATOM 1287 C ASN A 83 -2.855 8.641 -4.170 1.00 0.00 C ATOM 1288 O ASN A 83 -2.343 7.534 -4.013 1.00 0.00 O ATOM 1289 CB ASN A 83 -1.565 10.678 -3.507 1.00 0.00 C ATOM 1290 CG ASN A 83 -0.401 11.584 -3.859 1.00 0.00 C ATOM 1291 OD1 ASN A 83 0.436 11.244 -4.689 1.00 0.00 O ATOM 1292 ND2 ASN A 83 -0.331 12.740 -3.217 1.00 0.00 N ATOM 0 H ASN A 83 -2.917 11.594 -5.383 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.156 9.444 -5.213 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -2.398 11.286 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -1.275 10.026 -2.683 1.00 0.00 H new ATOM 0 HD21 ASN A 83 0.438 13.383 -3.406 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.046 12.988 -2.533 1.00 0.00 H new ATOM 1299 N ARG A 84 -4.138 8.894 -3.918 1.00 0.00 N ATOM 1300 CA ARG A 84 -5.062 7.876 -3.467 1.00 0.00 C ATOM 1301 C ARG A 84 -5.098 6.695 -4.434 1.00 0.00 C ATOM 1302 O ARG A 84 -4.833 5.556 -4.053 1.00 0.00 O ATOM 1303 CB ARG A 84 -6.441 8.508 -3.357 1.00 0.00 C ATOM 1304 CG ARG A 84 -7.456 7.653 -2.648 1.00 0.00 C ATOM 1305 CD ARG A 84 -8.791 8.362 -2.591 1.00 0.00 C ATOM 1306 NE ARG A 84 -8.720 9.638 -1.870 1.00 0.00 N ATOM 1307 CZ ARG A 84 -9.500 10.689 -2.135 1.00 0.00 C ATOM 1308 NH1 ARG A 84 -10.352 10.655 -3.153 1.00 0.00 N ATOM 1309 NH2 ARG A 84 -9.406 11.789 -1.395 1.00 0.00 N ATOM 0 H ARG A 84 -4.559 9.817 -4.024 1.00 0.00 H new ATOM 0 HA ARG A 84 -4.739 7.493 -2.499 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.352 9.458 -2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -6.807 8.731 -4.359 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -7.564 6.700 -3.166 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -7.112 7.430 -1.638 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.147 8.541 -3.606 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -9.522 7.715 -2.106 1.00 0.00 H new ATOM 0 HE ARG A 84 -8.033 9.728 -1.121 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -10.414 9.822 -3.739 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -10.945 11.462 -3.349 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -8.738 11.830 -0.625 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -10.002 12.592 -1.597 1.00 0.00 H new ATOM 1323 N ALA A 85 -5.416 6.984 -5.688 1.00 0.00 N ATOM 1324 CA ALA A 85 -5.540 5.949 -6.709 1.00 0.00 C ATOM 1325 C ALA A 85 -4.182 5.346 -7.060 1.00 0.00 C ATOM 1326 O ALA A 85 -4.074 4.151 -7.340 1.00 0.00 O ATOM 1327 CB ALA A 85 -6.208 6.518 -7.954 1.00 0.00 C ATOM 0 H ALA A 85 -5.594 7.930 -6.025 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.162 5.150 -6.305 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.295 5.737 -8.709 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -7.201 6.887 -7.698 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.606 7.337 -8.347 1.00 0.00 H new ATOM 1333 N ASP A 86 -3.154 6.183 -7.029 1.00 0.00 N ATOM 1334 CA ASP A 86 -1.793 5.767 -7.351 1.00 0.00 C ATOM 1335 C ASP A 86 -1.299 4.722 -6.361 1.00 0.00 C ATOM 1336 O ASP A 86 -0.859 3.637 -6.748 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.868 6.987 -7.321 1.00 0.00 C ATOM 1338 CG ASP A 86 0.535 6.688 -7.800 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.324 6.128 -7.019 1.00 0.00 O ATOM 1340 OD2 ASP A 86 0.862 7.032 -8.960 1.00 0.00 O ATOM 0 H ASP A 86 -3.238 7.169 -6.780 1.00 0.00 H new ATOM 0 HA ASP A 86 -1.788 5.325 -8.347 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -1.296 7.774 -7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -0.822 7.374 -6.303 1.00 0.00 H new ATOM 1345 N ALA A 87 -1.396 5.054 -5.081 1.00 0.00 N ATOM 1346 CA ALA A 87 -0.923 4.171 -4.022 1.00 0.00 C ATOM 1347 C ALA A 87 -1.651 2.833 -4.040 1.00 0.00 C ATOM 1348 O ALA A 87 -1.023 1.780 -3.945 1.00 0.00 O ATOM 1349 CB ALA A 87 -1.082 4.837 -2.666 1.00 0.00 C ATOM 0 H ALA A 87 -1.799 5.930 -4.750 1.00 0.00 H new ATOM 0 HA ALA A 87 0.135 3.978 -4.202 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.724 4.165 -1.886 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.502 5.760 -2.644 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.134 5.065 -2.494 1.00 0.00 H new ATOM 1355 N LEU A 88 -2.974 2.879 -4.173 1.00 0.00 N ATOM 1356 CA LEU A 88 -3.787 1.670 -4.181 1.00 0.00 C ATOM 1357 C LEU A 88 -3.439 0.779 -5.366 1.00 0.00 C ATOM 1358 O LEU A 88 -3.458 -0.448 -5.256 1.00 0.00 O ATOM 1359 CB LEU A 88 -5.274 2.027 -4.213 1.00 0.00 C ATOM 1360 CG LEU A 88 -5.794 2.765 -2.977 1.00 0.00 C ATOM 1361 CD1 LEU A 88 -7.265 3.120 -3.147 1.00 0.00 C ATOM 1362 CD2 LEU A 88 -5.587 1.927 -1.724 1.00 0.00 C ATOM 0 H LEU A 88 -3.505 3.744 -4.277 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.573 1.118 -3.266 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -5.464 2.644 -5.091 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.849 1.109 -4.337 1.00 0.00 H new ATOM 0 HG LEU A 88 -5.227 3.690 -2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.618 3.644 -2.259 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.386 3.762 -4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -7.846 2.208 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.963 2.470 -0.857 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.125 0.984 -1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.524 1.726 -1.592 1.00 0.00 H new ATOM 1374 N LEU A 89 -3.111 1.403 -6.490 1.00 0.00 N ATOM 1375 CA LEU A 89 -2.749 0.671 -7.694 1.00 0.00 C ATOM 1376 C LEU A 89 -1.450 -0.094 -7.464 1.00 0.00 C ATOM 1377 O LEU A 89 -1.389 -1.308 -7.661 1.00 0.00 O ATOM 1378 CB LEU A 89 -2.606 1.642 -8.874 1.00 0.00 C ATOM 1379 CG LEU A 89 -2.839 1.052 -10.273 1.00 0.00 C ATOM 1380 CD1 LEU A 89 -1.758 0.047 -10.645 1.00 0.00 C ATOM 1381 CD2 LEU A 89 -4.215 0.408 -10.349 1.00 0.00 C ATOM 0 H LEU A 89 -3.089 2.418 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.536 -0.045 -7.931 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -3.307 2.463 -8.728 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.604 2.070 -8.846 1.00 0.00 H new ATOM 0 HG LEU A 89 -2.789 1.869 -10.993 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.956 -0.349 -11.641 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.785 0.539 -10.637 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -1.757 -0.770 -9.923 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -4.368 -0.006 -11.345 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -4.285 -0.390 -9.609 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.979 1.158 -10.147 1.00 0.00 H new ATOM 1393 N ARG A 90 -0.422 0.615 -7.016 1.00 0.00 N ATOM 1394 CA ARG A 90 0.890 0.010 -6.803 1.00 0.00 C ATOM 1395 C ARG A 90 0.843 -0.989 -5.653 1.00 0.00 C ATOM 1396 O ARG A 90 1.611 -1.948 -5.626 1.00 0.00 O ATOM 1397 CB ARG A 90 1.944 1.082 -6.539 1.00 0.00 C ATOM 1398 CG ARG A 90 1.958 2.168 -7.597 1.00 0.00 C ATOM 1399 CD ARG A 90 3.132 3.119 -7.441 1.00 0.00 C ATOM 1400 NE ARG A 90 2.886 4.369 -8.149 1.00 0.00 N ATOM 1401 CZ ARG A 90 3.598 4.819 -9.178 1.00 0.00 C ATOM 1402 NH1 ARG A 90 4.654 4.145 -9.620 1.00 0.00 N ATOM 1403 NH2 ARG A 90 3.242 5.949 -9.772 1.00 0.00 N ATOM 0 H ARG A 90 -0.469 1.609 -6.793 1.00 0.00 H new ATOM 0 HA ARG A 90 1.167 -0.526 -7.711 1.00 0.00 H new ATOM 0 HB2 ARG A 90 1.760 1.534 -5.564 1.00 0.00 H new ATOM 0 HB3 ARG A 90 2.927 0.614 -6.493 1.00 0.00 H new ATOM 0 HG2 ARG A 90 1.996 1.708 -8.584 1.00 0.00 H new ATOM 0 HG3 ARG A 90 1.028 2.733 -7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 90 3.302 3.323 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 90 4.038 2.651 -7.825 1.00 0.00 H new ATOM 0 HE ARG A 90 2.106 4.944 -7.830 1.00 0.00 H new ATOM 0 HH11 ARG A 90 4.927 3.272 -9.169 1.00 0.00 H new ATOM 0 HH12 ARG A 90 5.192 4.501 -10.410 1.00 0.00 H new ATOM 0 HH21 ARG A 90 2.428 6.466 -9.439 1.00 0.00 H new ATOM 0 HH22 ARG A 90 3.782 6.302 -10.562 1.00 0.00 H new ATOM 1417 N LEU A 91 -0.061 -0.758 -4.706 1.00 0.00 N ATOM 1418 CA LEU A 91 -0.275 -1.690 -3.606 1.00 0.00 C ATOM 1419 C LEU A 91 -0.737 -3.035 -4.162 1.00 0.00 C ATOM 1420 O LEU A 91 -0.171 -4.080 -3.843 1.00 0.00 O ATOM 1421 CB LEU A 91 -1.319 -1.113 -2.628 1.00 0.00 C ATOM 1422 CG LEU A 91 -1.416 -1.787 -1.246 1.00 0.00 C ATOM 1423 CD1 LEU A 91 -2.141 -3.124 -1.322 1.00 0.00 C ATOM 1424 CD2 LEU A 91 -0.031 -1.966 -0.641 1.00 0.00 C ATOM 0 H LEU A 91 -0.658 0.069 -4.679 1.00 0.00 H new ATOM 0 HA LEU A 91 0.658 -1.839 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.097 -0.057 -2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -2.298 -1.168 -3.103 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.000 -1.131 -0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -2.189 -3.569 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -3.152 -2.969 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.602 -3.793 -1.993 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.119 -2.444 0.335 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.575 -2.591 -1.297 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.445 -0.992 -0.527 1.00 0.00 H new ATOM 1436 N SER A 92 -1.755 -2.987 -5.008 1.00 0.00 N ATOM 1437 CA SER A 92 -2.298 -4.189 -5.628 1.00 0.00 C ATOM 1438 C SER A 92 -1.261 -4.822 -6.555 1.00 0.00 C ATOM 1439 O SER A 92 -1.164 -6.048 -6.649 1.00 0.00 O ATOM 1440 CB SER A 92 -3.578 -3.852 -6.401 1.00 0.00 C ATOM 1441 OG SER A 92 -4.218 -5.022 -6.883 1.00 0.00 O ATOM 0 H SER A 92 -2.225 -2.124 -5.283 1.00 0.00 H new ATOM 0 HA SER A 92 -2.544 -4.908 -4.846 1.00 0.00 H new ATOM 0 HB2 SER A 92 -4.261 -3.303 -5.753 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.337 -3.197 -7.238 1.00 0.00 H new ATOM 0 HG SER A 92 -5.031 -4.773 -7.370 1.00 0.00 H new ATOM 1447 N GLU A 93 -0.490 -3.976 -7.230 1.00 0.00 N ATOM 1448 CA GLU A 93 0.565 -4.434 -8.120 1.00 0.00 C ATOM 1449 C GLU A 93 1.620 -5.194 -7.325 1.00 0.00 C ATOM 1450 O GLU A 93 1.998 -6.293 -7.698 1.00 0.00 O ATOM 1451 CB GLU A 93 1.193 -3.243 -8.855 1.00 0.00 C ATOM 1452 CG GLU A 93 1.919 -3.605 -10.146 1.00 0.00 C ATOM 1453 CD GLU A 93 3.333 -4.117 -9.937 1.00 0.00 C ATOM 1454 OE1 GLU A 93 4.161 -3.367 -9.381 1.00 0.00 O ATOM 1455 OE2 GLU A 93 3.632 -5.252 -10.365 1.00 0.00 O ATOM 0 H GLU A 93 -0.579 -2.961 -7.175 1.00 0.00 H new ATOM 0 HA GLU A 93 0.138 -5.107 -8.863 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.410 -2.520 -9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.896 -2.749 -8.185 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.343 -4.365 -10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.953 -2.726 -10.790 1.00 0.00 H new ATOM 1462 N LEU A 94 2.054 -4.611 -6.208 1.00 0.00 N ATOM 1463 CA LEU A 94 3.082 -5.208 -5.355 1.00 0.00 C ATOM 1464 C LEU A 94 2.668 -6.609 -4.900 1.00 0.00 C ATOM 1465 O LEU A 94 3.490 -7.528 -4.869 1.00 0.00 O ATOM 1466 CB LEU A 94 3.346 -4.289 -4.145 1.00 0.00 C ATOM 1467 CG LEU A 94 4.592 -4.603 -3.291 1.00 0.00 C ATOM 1468 CD1 LEU A 94 4.343 -5.773 -2.349 1.00 0.00 C ATOM 1469 CD2 LEU A 94 5.792 -4.887 -4.184 1.00 0.00 C ATOM 0 H LEU A 94 1.704 -3.715 -5.869 1.00 0.00 H new ATOM 0 HA LEU A 94 4.003 -5.309 -5.928 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.433 -3.265 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.471 -4.323 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 94 4.806 -3.725 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.242 -5.966 -1.763 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.518 -5.531 -1.679 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.091 -6.660 -2.930 1.00 0.00 H new ATOM 0 HD21 LEU A 94 6.662 -5.106 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.576 -5.743 -4.823 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.999 -4.015 -4.804 1.00 0.00 H new ATOM 1481 N ILE A 95 1.394 -6.769 -4.561 1.00 0.00 N ATOM 1482 CA ILE A 95 0.866 -8.059 -4.118 1.00 0.00 C ATOM 1483 C ILE A 95 1.115 -9.143 -5.169 1.00 0.00 C ATOM 1484 O ILE A 95 1.621 -10.224 -4.860 1.00 0.00 O ATOM 1485 CB ILE A 95 -0.651 -7.971 -3.820 1.00 0.00 C ATOM 1486 CG1 ILE A 95 -0.905 -6.982 -2.680 1.00 0.00 C ATOM 1487 CG2 ILE A 95 -1.216 -9.345 -3.473 1.00 0.00 C ATOM 1488 CD1 ILE A 95 -2.372 -6.740 -2.395 1.00 0.00 C ATOM 0 H ILE A 95 0.703 -6.019 -4.584 1.00 0.00 H new ATOM 0 HA ILE A 95 1.391 -8.324 -3.200 1.00 0.00 H new ATOM 0 HB ILE A 95 -1.160 -7.614 -4.715 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -0.426 -7.355 -1.775 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.430 -6.032 -2.924 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -2.283 -9.258 -3.268 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -1.062 -10.024 -4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -0.707 -9.736 -2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -2.471 -6.028 -1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -2.854 -6.337 -3.286 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -2.849 -7.680 -2.119 1.00 0.00 H new ATOM 1500 N VAL A 96 0.773 -8.839 -6.415 1.00 0.00 N ATOM 1501 CA VAL A 96 0.968 -9.773 -7.516 1.00 0.00 C ATOM 1502 C VAL A 96 2.443 -9.808 -7.921 1.00 0.00 C ATOM 1503 O VAL A 96 2.972 -10.847 -8.320 1.00 0.00 O ATOM 1504 CB VAL A 96 0.109 -9.385 -8.740 1.00 0.00 C ATOM 1505 CG1 VAL A 96 0.216 -10.441 -9.827 1.00 0.00 C ATOM 1506 CG2 VAL A 96 -1.343 -9.173 -8.334 1.00 0.00 C ATOM 0 H VAL A 96 0.357 -7.949 -6.689 1.00 0.00 H new ATOM 0 HA VAL A 96 0.657 -10.760 -7.174 1.00 0.00 H new ATOM 0 HB VAL A 96 0.490 -8.445 -9.140 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -0.396 -10.149 -10.680 1.00 0.00 H new ATOM 0 HG12 VAL A 96 1.255 -10.535 -10.142 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.134 -11.398 -9.440 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -1.930 -8.901 -9.211 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.739 -10.093 -7.904 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -1.401 -8.373 -7.596 1.00 0.00 H new ATOM 1516 N ASN A 97 3.085 -8.652 -7.808 1.00 0.00 N ATOM 1517 CA ASN A 97 4.504 -8.485 -8.121 1.00 0.00 C ATOM 1518 C ASN A 97 5.338 -9.503 -7.358 1.00 0.00 C ATOM 1519 O ASN A 97 6.090 -10.270 -7.953 1.00 0.00 O ATOM 1520 CB ASN A 97 4.954 -7.071 -7.740 1.00 0.00 C ATOM 1521 CG ASN A 97 6.259 -6.650 -8.388 1.00 0.00 C ATOM 1522 OD1 ASN A 97 7.346 -6.942 -7.887 1.00 0.00 O ATOM 1523 ND2 ASN A 97 6.154 -5.933 -9.492 1.00 0.00 N ATOM 0 H ASN A 97 2.633 -7.793 -7.493 1.00 0.00 H new ATOM 0 HA ASN A 97 4.646 -8.640 -9.191 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.174 -6.363 -8.021 1.00 0.00 H new ATOM 0 HB3 ASN A 97 5.061 -7.013 -6.657 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.994 -5.598 -9.964 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.233 -5.714 -9.872 1.00 0.00 H new ATOM 1530 N ALA A 98 5.170 -9.514 -6.036 1.00 0.00 N ATOM 1531 CA ALA A 98 5.909 -10.419 -5.161 1.00 0.00 C ATOM 1532 C ALA A 98 5.713 -11.877 -5.562 1.00 0.00 C ATOM 1533 O ALA A 98 6.616 -12.695 -5.416 1.00 0.00 O ATOM 1534 CB ALA A 98 5.489 -10.215 -3.713 1.00 0.00 C ATOM 0 H ALA A 98 4.521 -8.899 -5.545 1.00 0.00 H new ATOM 0 HA ALA A 98 6.968 -10.184 -5.265 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.048 -10.897 -3.072 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.695 -9.187 -3.416 1.00 0.00 H new ATOM 0 HB3 ALA A 98 4.422 -10.415 -3.612 1.00 0.00 H new ATOM 1540 N ALA A 99 4.537 -12.195 -6.084 1.00 0.00 N ATOM 1541 CA ALA A 99 4.219 -13.561 -6.472 1.00 0.00 C ATOM 1542 C ALA A 99 4.972 -13.969 -7.732 1.00 0.00 C ATOM 1543 O ALA A 99 5.202 -15.154 -7.968 1.00 0.00 O ATOM 1544 CB ALA A 99 2.721 -13.714 -6.674 1.00 0.00 C ATOM 0 H ALA A 99 3.786 -11.524 -6.249 1.00 0.00 H new ATOM 0 HA ALA A 99 4.536 -14.223 -5.667 1.00 0.00 H new ATOM 0 HB1 ALA A 99 2.496 -14.740 -6.964 1.00 0.00 H new ATOM 0 HB2 ALA A 99 2.203 -13.477 -5.745 1.00 0.00 H new ATOM 0 HB3 ALA A 99 2.388 -13.034 -7.458 1.00 0.00 H new ATOM 1550 N LYS A 100 5.369 -12.989 -8.534 1.00 0.00 N ATOM 1551 CA LYS A 100 6.048 -13.274 -9.795 1.00 0.00 C ATOM 1552 C LYS A 100 7.546 -13.449 -9.589 1.00 0.00 C ATOM 1553 O LYS A 100 8.208 -14.159 -10.345 1.00 0.00 O ATOM 1554 CB LYS A 100 5.783 -12.162 -10.814 1.00 0.00 C ATOM 1555 CG LYS A 100 4.308 -11.965 -11.128 1.00 0.00 C ATOM 1556 CD LYS A 100 4.101 -10.955 -12.244 1.00 0.00 C ATOM 1557 CE LYS A 100 2.625 -10.760 -12.556 1.00 0.00 C ATOM 1558 NZ LYS A 100 1.956 -12.041 -12.906 1.00 0.00 N ATOM 0 H LYS A 100 5.235 -11.997 -8.338 1.00 0.00 H new ATOM 0 HA LYS A 100 5.646 -14.210 -10.182 1.00 0.00 H new ATOM 0 HB2 LYS A 100 6.193 -11.227 -10.434 1.00 0.00 H new ATOM 0 HB3 LYS A 100 6.315 -12.392 -11.737 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.866 -12.919 -11.414 1.00 0.00 H new ATOM 0 HG3 LYS A 100 3.787 -11.629 -10.232 1.00 0.00 H new ATOM 0 HD2 LYS A 100 4.542 -10.000 -11.958 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.622 -11.291 -13.141 1.00 0.00 H new ATOM 0 HE2 LYS A 100 2.128 -10.315 -11.694 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.519 -10.058 -13.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.304 -11.886 -13.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 2.673 -12.744 -13.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 1.423 -12.390 -12.084 1.00 0.00 H new ATOM 1572 N LEU A 101 8.065 -12.823 -8.551 1.00 0.00 N ATOM 1573 CA LEU A 101 9.472 -12.931 -8.213 1.00 0.00 C ATOM 1574 C LEU A 101 9.746 -14.205 -7.424 1.00 0.00 C ATOM 1575 O LEU A 101 9.268 -14.375 -6.305 1.00 0.00 O ATOM 1576 CB LEU A 101 9.927 -11.706 -7.416 1.00 0.00 C ATOM 1577 CG LEU A 101 10.240 -10.458 -8.250 1.00 0.00 C ATOM 1578 CD1 LEU A 101 8.982 -9.855 -8.853 1.00 0.00 C ATOM 1579 CD2 LEU A 101 10.978 -9.427 -7.409 1.00 0.00 C ATOM 0 H LEU A 101 7.527 -12.228 -7.921 1.00 0.00 H new ATOM 0 HA LEU A 101 10.040 -12.975 -9.142 1.00 0.00 H new ATOM 0 HB2 LEU A 101 9.150 -11.454 -6.694 1.00 0.00 H new ATOM 0 HB3 LEU A 101 10.817 -11.974 -6.846 1.00 0.00 H new ATOM 0 HG LEU A 101 10.884 -10.765 -9.074 1.00 0.00 H new ATOM 0 HD11 LEU A 101 9.245 -8.973 -9.437 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.501 -10.588 -9.500 1.00 0.00 H new ATOM 0 HD13 LEU A 101 8.296 -9.571 -8.055 1.00 0.00 H new ATOM 0 HD21 LEU A 101 11.192 -8.548 -8.017 1.00 0.00 H new ATOM 0 HD22 LEU A 101 10.358 -9.139 -6.560 1.00 0.00 H new ATOM 0 HD23 LEU A 101 11.913 -9.855 -7.047 1.00 0.00 H new