USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 824 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 18 ASN : amide:sc= 0.488 K(o=1.3,f=-2.3) USER MOD Set 1.2: A 113 HIS : no HE2:sc= 0.79 K(o=1.3,f=-8.2!) USER MOD Set 2.1: A 76 ASN : amide:sc= 0 K(o=2.8,f=0.52) USER MOD Set 2.2: A 106 THR OG1 : rot 150:sc= 1.11 USER MOD Set 2.3: A 111 HIS : no HE2:sc= 1.65 K(o=2.8,f=-5.9!) USER MOD Set 3.1: A 39 ASN : amide:sc= 0.512 K(o=0.22,f=-11!) USER MOD Set 3.2: A 41 SER OG : rot 180:sc= -0.297 USER MOD Set 4.1: A 26 THR OG1 : rot -78:sc= 0.973 USER MOD Set 4.2: A 64 ASN : amide:sc= 0.843 K(o=1.8,f=-0.3) USER MOD Single : A 1 MET CE :methyl 166:sc= 0 (180deg=-0.199) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.112 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0.0356 USER MOD Single : A 21 ASN : amide:sc= -2.79! C(o=-2.8!,f=-5.9!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -143:sc= -0.0565 (180deg=-1.68) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 1.43 K(o=1.4,f=-5.6!) USER MOD Single : A 30 GLN : amide:sc= 1.19 K(o=1.2,f=-0.81) USER MOD Single : A 32 ASN : amide:sc= -0.312 X(o=-0.31,f=-0.031) USER MOD Single : A 33 LYS NZ :NH3+ -170:sc=-0.00568 (180deg=-0.116) USER MOD Single : A 35 SER OG : rot -15:sc= -0.777 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.06 USER MOD Single : A 37 SER OG : rot 29:sc= 1.22 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.507 K(o=-0.51,f=-3.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc=0.000784 USER MOD Single : A 56 SER OG : rot 37:sc= 1.23 USER MOD Single : A 59 SER OG : rot 180:sc= 0.0378 USER MOD Single : A 61 ASN : amide:sc= 0.0406 K(o=0.041,f=-2.6) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 THR OG1 : rot 180:sc= -2.59! USER MOD Single : A 68 HIS : no HD1:sc= 0.517 K(o=0.52,f=-4!) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.218 USER MOD Single : A 74 THR OG1 : rot 81:sc= 1.07 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 155:sc= 0.547 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.798 K(o=-0.8,f=-2.5) USER MOD Single : A 88 ASN : amide:sc= -0.631 K(o=-0.63,f=-0.055) USER MOD Single : A 91 ASN : amide:sc= -0.944 K(o=-0.94,f=-4.8!) USER MOD Single : A 94 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.612 K(o=-0.61,f=-1.2) USER MOD Single : A 98 ASN : amide:sc= -1.83! C(o=-1.8!,f=-6.1!) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.00903 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 HIS : no HD1:sc= -0.0874 X(o=-0.087,f=-0.012) USER MOD Single : A 110 HIS : no HD1:sc= -0.0369 X(o=-0.037,f=-0.42) USER MOD Single : A 112 HIS : no HE2:sc= 0.0888 K(o=0.089,f=-0.42) USER MOD Single : A 114 HIS : no HD1:sc= -0.653 K(o=-0.65,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.989 14.350 -8.956 1.00 0.00 N ATOM 2 CA MET A 1 -14.520 14.438 -8.834 1.00 0.00 C ATOM 3 C MET A 1 -14.058 13.626 -7.628 1.00 0.00 C ATOM 4 O MET A 1 -14.227 14.046 -6.484 1.00 0.00 O ATOM 5 CB MET A 1 -14.105 15.906 -8.687 1.00 0.00 C ATOM 6 CG MET A 1 -12.603 16.128 -8.701 1.00 0.00 C ATOM 7 SD MET A 1 -12.157 17.874 -8.608 1.00 0.00 S ATOM 8 CE MET A 1 -10.379 17.776 -8.793 1.00 0.00 C ATOM 0 H1 MET A 1 -16.303 14.904 -9.778 1.00 0.00 H new ATOM 0 H2 MET A 1 -16.268 13.356 -9.081 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.432 14.728 -8.094 1.00 0.00 H new ATOM 0 HA MET A 1 -14.051 14.030 -9.729 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.555 16.483 -9.495 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.511 16.296 -7.753 1.00 0.00 H new ATOM 0 HG2 MET A 1 -12.153 15.597 -7.862 1.00 0.00 H new ATOM 0 HG3 MET A 1 -12.185 15.698 -9.611 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.980 18.768 -9.005 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.938 17.397 -7.871 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.135 17.103 -9.615 1.00 0.00 H new ATOM 20 N ILE A 2 -13.494 12.452 -7.883 1.00 0.00 N ATOM 21 CA ILE A 2 -13.106 11.542 -6.814 1.00 0.00 C ATOM 22 C ILE A 2 -11.759 10.886 -7.148 1.00 0.00 C ATOM 23 O ILE A 2 -11.434 10.699 -8.323 1.00 0.00 O ATOM 24 CB ILE A 2 -14.212 10.466 -6.604 1.00 0.00 C ATOM 25 CG1 ILE A 2 -14.249 9.993 -5.150 1.00 0.00 C ATOM 26 CG2 ILE A 2 -14.012 9.276 -7.535 1.00 0.00 C ATOM 27 CD1 ILE A 2 -15.379 9.031 -4.851 1.00 0.00 C ATOM 0 H ILE A 2 -13.295 12.108 -8.822 1.00 0.00 H new ATOM 0 HA ILE A 2 -12.993 12.103 -5.886 1.00 0.00 H new ATOM 0 HB ILE A 2 -15.167 10.933 -6.844 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -13.301 9.512 -4.910 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -14.340 10.861 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -14.800 8.543 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -14.050 9.614 -8.571 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -13.042 8.819 -7.338 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -15.341 8.740 -3.801 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -16.333 9.515 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -15.278 8.145 -5.477 1.00 0.00 H new ATOM 39 N PRO A 3 -10.931 10.577 -6.133 1.00 0.00 N ATOM 40 CA PRO A 3 -9.644 9.913 -6.340 1.00 0.00 C ATOM 41 C PRO A 3 -9.806 8.422 -6.632 1.00 0.00 C ATOM 42 O PRO A 3 -10.928 7.926 -6.791 1.00 0.00 O ATOM 43 CB PRO A 3 -8.895 10.121 -5.012 1.00 0.00 C ATOM 44 CG PRO A 3 -9.762 11.018 -4.186 1.00 0.00 C ATOM 45 CD PRO A 3 -11.158 10.856 -4.712 1.00 0.00 C ATOM 0 HA PRO A 3 -9.116 10.322 -7.201 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -8.724 9.170 -4.507 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -7.917 10.572 -5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -9.710 10.746 -3.132 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -9.435 12.055 -4.264 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.686 10.041 -4.218 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -11.754 11.757 -4.565 1.00 0.00 H new ATOM 53 N ASP A 4 -8.686 7.722 -6.715 1.00 0.00 N ATOM 54 CA ASP A 4 -8.682 6.289 -6.973 1.00 0.00 C ATOM 55 C ASP A 4 -7.328 5.708 -6.579 1.00 0.00 C ATOM 56 O ASP A 4 -6.474 5.444 -7.427 1.00 0.00 O ATOM 57 CB ASP A 4 -8.991 6.010 -8.448 1.00 0.00 C ATOM 58 CG ASP A 4 -9.259 4.547 -8.734 1.00 0.00 C ATOM 59 OD1 ASP A 4 -10.163 3.969 -8.096 1.00 0.00 O ATOM 60 OD2 ASP A 4 -8.605 3.981 -9.635 1.00 0.00 O ATOM 0 H ASP A 4 -7.757 8.128 -6.606 1.00 0.00 H new ATOM 0 HA ASP A 4 -9.458 5.811 -6.375 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -9.859 6.597 -8.748 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -8.152 6.345 -9.058 1.00 0.00 H new ATOM 65 N LEU A 5 -7.124 5.569 -5.279 1.00 0.00 N ATOM 66 CA LEU A 5 -5.867 5.078 -4.731 1.00 0.00 C ATOM 67 C LEU A 5 -5.685 3.600 -5.037 1.00 0.00 C ATOM 68 O LEU A 5 -6.301 2.742 -4.405 1.00 0.00 O ATOM 69 CB LEU A 5 -5.827 5.293 -3.214 1.00 0.00 C ATOM 70 CG LEU A 5 -6.038 6.735 -2.745 1.00 0.00 C ATOM 71 CD1 LEU A 5 -6.078 6.801 -1.228 1.00 0.00 C ATOM 72 CD2 LEU A 5 -4.944 7.640 -3.282 1.00 0.00 C ATOM 0 H LEU A 5 -7.825 5.793 -4.572 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.056 5.638 -5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -6.591 4.665 -2.756 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.863 4.946 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.995 7.083 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -6.229 7.833 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.898 6.185 -0.859 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -5.136 6.432 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.113 8.660 -2.937 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.975 7.292 -2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.957 7.619 -4.372 1.00 0.00 H new ATOM 84 N VAL A 6 -4.841 3.304 -6.011 1.00 0.00 N ATOM 85 CA VAL A 6 -4.596 1.933 -6.413 1.00 0.00 C ATOM 86 C VAL A 6 -3.188 1.495 -6.030 1.00 0.00 C ATOM 87 O VAL A 6 -2.205 1.998 -6.575 1.00 0.00 O ATOM 88 CB VAL A 6 -4.776 1.748 -7.936 1.00 0.00 C ATOM 89 CG1 VAL A 6 -4.618 0.286 -8.327 1.00 0.00 C ATOM 90 CG2 VAL A 6 -6.125 2.279 -8.389 1.00 0.00 C ATOM 0 H VAL A 6 -4.313 3.999 -6.539 1.00 0.00 H new ATOM 0 HA VAL A 6 -5.327 1.317 -5.890 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.997 2.321 -8.438 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.749 0.181 -9.404 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.623 -0.060 -8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.369 -0.312 -7.810 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.229 2.138 -9.465 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -6.920 1.740 -7.874 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.196 3.341 -8.154 1.00 0.00 H new ATOM 100 N PRO A 7 -3.071 0.588 -5.056 1.00 0.00 N ATOM 101 CA PRO A 7 -1.810 -0.085 -4.766 1.00 0.00 C ATOM 102 C PRO A 7 -1.387 -0.934 -5.958 1.00 0.00 C ATOM 103 O PRO A 7 -2.057 -1.901 -6.321 1.00 0.00 O ATOM 104 CB PRO A 7 -2.123 -0.954 -3.544 1.00 0.00 C ATOM 105 CG PRO A 7 -3.606 -1.084 -3.524 1.00 0.00 C ATOM 106 CD PRO A 7 -4.148 0.166 -4.155 1.00 0.00 C ATOM 0 HA PRO A 7 -0.988 0.604 -4.575 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -1.644 -1.930 -3.622 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -1.756 -0.491 -2.628 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -3.926 -1.968 -4.075 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -3.973 -1.195 -2.504 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -5.073 -0.027 -4.698 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -4.369 0.929 -3.409 1.00 0.00 H new ATOM 114 N VAL A 8 -0.286 -0.553 -6.572 1.00 0.00 N ATOM 115 CA VAL A 8 0.106 -1.109 -7.857 1.00 0.00 C ATOM 116 C VAL A 8 0.963 -2.353 -7.681 1.00 0.00 C ATOM 117 O VAL A 8 0.606 -3.436 -8.143 1.00 0.00 O ATOM 118 CB VAL A 8 0.883 -0.070 -8.698 1.00 0.00 C ATOM 119 CG1 VAL A 8 1.001 -0.511 -10.146 1.00 0.00 C ATOM 120 CG2 VAL A 8 0.221 1.291 -8.614 1.00 0.00 C ATOM 0 H VAL A 8 0.359 0.144 -6.201 1.00 0.00 H new ATOM 0 HA VAL A 8 -0.810 -1.381 -8.381 1.00 0.00 H new ATOM 0 HB VAL A 8 1.889 0.005 -8.284 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.552 0.240 -10.711 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.531 -1.462 -10.195 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.005 -0.628 -10.573 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.784 2.007 -9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -0.799 1.224 -8.993 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.201 1.623 -7.576 1.00 0.00 H new ATOM 130 N SER A 9 2.084 -2.197 -7.000 1.00 0.00 N ATOM 131 CA SER A 9 3.034 -3.282 -6.860 1.00 0.00 C ATOM 132 C SER A 9 3.563 -3.383 -5.434 1.00 0.00 C ATOM 133 O SER A 9 3.578 -2.398 -4.691 1.00 0.00 O ATOM 134 CB SER A 9 4.185 -3.073 -7.842 1.00 0.00 C ATOM 135 OG SER A 9 4.685 -1.747 -7.763 1.00 0.00 O ATOM 0 H SER A 9 2.357 -1.330 -6.537 1.00 0.00 H new ATOM 0 HA SER A 9 2.525 -4.219 -7.084 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.985 -3.781 -7.626 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.844 -3.277 -8.857 1.00 0.00 H new ATOM 0 HG SER A 9 5.422 -1.637 -8.399 1.00 0.00 H new ATOM 141 N LEU A 10 3.981 -4.585 -5.067 1.00 0.00 N ATOM 142 CA LEU A 10 4.592 -4.841 -3.773 1.00 0.00 C ATOM 143 C LEU A 10 5.893 -5.609 -3.975 1.00 0.00 C ATOM 144 O LEU A 10 5.887 -6.815 -4.202 1.00 0.00 O ATOM 145 CB LEU A 10 3.633 -5.627 -2.876 1.00 0.00 C ATOM 146 CG LEU A 10 4.193 -6.046 -1.515 1.00 0.00 C ATOM 147 CD1 LEU A 10 4.584 -4.828 -0.691 1.00 0.00 C ATOM 148 CD2 LEU A 10 3.174 -6.886 -0.767 1.00 0.00 C ATOM 0 H LEU A 10 3.906 -5.412 -5.660 1.00 0.00 H new ATOM 0 HA LEU A 10 4.810 -3.893 -3.281 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.741 -5.023 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.317 -6.523 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 10 5.089 -6.644 -1.681 1.00 0.00 H new ATOM 0 HD11 LEU A 10 4.979 -5.152 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.346 -4.258 -1.223 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.707 -4.200 -0.531 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.583 -7.179 0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.264 -6.305 -0.615 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.942 -7.779 -1.348 1.00 0.00 H new ATOM 160 N THR A 11 6.998 -4.895 -3.922 1.00 0.00 N ATOM 161 CA THR A 11 8.305 -5.471 -4.199 1.00 0.00 C ATOM 162 C THR A 11 9.179 -5.428 -2.942 1.00 0.00 C ATOM 163 O THR A 11 9.142 -4.450 -2.194 1.00 0.00 O ATOM 164 CB THR A 11 8.982 -4.696 -5.350 1.00 0.00 C ATOM 165 OG1 THR A 11 8.123 -4.690 -6.498 1.00 0.00 O ATOM 166 CG2 THR A 11 10.335 -5.282 -5.733 1.00 0.00 C ATOM 0 H THR A 11 7.020 -3.903 -3.687 1.00 0.00 H new ATOM 0 HA THR A 11 8.180 -6.512 -4.498 1.00 0.00 H new ATOM 0 HB THR A 11 9.154 -3.679 -4.997 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.554 -4.196 -7.227 1.00 0.00 H new ATOM 0 HG21 THR A 11 10.767 -4.699 -6.547 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.002 -5.252 -4.871 1.00 0.00 H new ATOM 0 HG23 THR A 11 10.206 -6.315 -6.056 1.00 0.00 H new ATOM 174 N PRO A 12 9.977 -6.476 -2.685 1.00 0.00 N ATOM 175 CA PRO A 12 10.083 -7.640 -3.562 1.00 0.00 C ATOM 176 C PRO A 12 8.986 -8.671 -3.328 1.00 0.00 C ATOM 177 O PRO A 12 8.679 -9.028 -2.192 1.00 0.00 O ATOM 178 CB PRO A 12 11.451 -8.214 -3.204 1.00 0.00 C ATOM 179 CG PRO A 12 11.668 -7.844 -1.773 1.00 0.00 C ATOM 180 CD PRO A 12 10.856 -6.597 -1.509 1.00 0.00 C ATOM 0 HA PRO A 12 9.973 -7.368 -4.612 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.472 -9.295 -3.339 1.00 0.00 H new ATOM 0 HB3 PRO A 12 12.232 -7.798 -3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.355 -8.654 -1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.725 -7.664 -1.578 1.00 0.00 H new ATOM 0 HD2 PRO A 12 10.279 -6.686 -0.589 1.00 0.00 H new ATOM 0 HD3 PRO A 12 11.496 -5.722 -1.400 1.00 0.00 H new ATOM 188 N VAL A 13 8.397 -9.141 -4.422 1.00 0.00 N ATOM 189 CA VAL A 13 7.389 -10.203 -4.365 1.00 0.00 C ATOM 190 C VAL A 13 7.985 -11.528 -3.881 1.00 0.00 C ATOM 191 O VAL A 13 7.261 -12.479 -3.600 1.00 0.00 O ATOM 192 CB VAL A 13 6.711 -10.429 -5.734 1.00 0.00 C ATOM 193 CG1 VAL A 13 5.983 -9.176 -6.184 1.00 0.00 C ATOM 194 CG2 VAL A 13 7.725 -10.866 -6.782 1.00 0.00 C ATOM 0 H VAL A 13 8.598 -8.805 -5.364 1.00 0.00 H new ATOM 0 HA VAL A 13 6.639 -9.866 -3.649 1.00 0.00 H new ATOM 0 HB VAL A 13 5.980 -11.230 -5.619 1.00 0.00 H new ATOM 0 HG11 VAL A 13 5.512 -9.356 -7.150 1.00 0.00 H new ATOM 0 HG12 VAL A 13 5.219 -8.916 -5.451 1.00 0.00 H new ATOM 0 HG13 VAL A 13 6.694 -8.355 -6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 13 7.220 -11.018 -7.736 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.488 -10.095 -6.894 1.00 0.00 H new ATOM 0 HG23 VAL A 13 8.194 -11.798 -6.468 1.00 0.00 H new ATOM 204 N THR A 14 9.304 -11.600 -3.816 1.00 0.00 N ATOM 205 CA THR A 14 9.980 -12.773 -3.291 1.00 0.00 C ATOM 206 C THR A 14 11.100 -12.328 -2.349 1.00 0.00 C ATOM 207 O THR A 14 12.023 -11.622 -2.757 1.00 0.00 O ATOM 208 CB THR A 14 10.546 -13.647 -4.431 1.00 0.00 C ATOM 209 OG1 THR A 14 9.712 -13.524 -5.591 1.00 0.00 O ATOM 210 CG2 THR A 14 10.601 -15.111 -4.022 1.00 0.00 C ATOM 0 H THR A 14 9.930 -10.855 -4.122 1.00 0.00 H new ATOM 0 HA THR A 14 9.260 -13.379 -2.741 1.00 0.00 H new ATOM 0 HB THR A 14 11.557 -13.303 -4.651 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.073 -14.078 -6.314 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.003 -15.703 -4.844 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.242 -15.221 -3.147 1.00 0.00 H new ATOM 0 HG23 THR A 14 9.597 -15.460 -3.781 1.00 0.00 H new ATOM 218 N VAL A 15 11.003 -12.732 -1.089 1.00 0.00 N ATOM 219 CA VAL A 15 11.875 -12.214 -0.041 1.00 0.00 C ATOM 220 C VAL A 15 12.804 -13.290 0.506 1.00 0.00 C ATOM 221 O VAL A 15 12.598 -14.479 0.269 1.00 0.00 O ATOM 222 CB VAL A 15 11.047 -11.632 1.123 1.00 0.00 C ATOM 223 CG1 VAL A 15 10.277 -10.402 0.673 1.00 0.00 C ATOM 224 CG2 VAL A 15 10.095 -12.683 1.677 1.00 0.00 C ATOM 0 H VAL A 15 10.324 -13.422 -0.766 1.00 0.00 H new ATOM 0 HA VAL A 15 12.478 -11.428 -0.495 1.00 0.00 H new ATOM 0 HB VAL A 15 11.734 -11.334 1.915 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.700 -10.008 1.509 1.00 0.00 H new ATOM 0 HG12 VAL A 15 10.977 -9.642 0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.601 -10.672 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.519 -12.256 2.497 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.417 -13.011 0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 15 10.667 -13.536 2.041 1.00 0.00 H new ATOM 234 N VAL A 16 13.822 -12.869 1.247 1.00 0.00 N ATOM 235 CA VAL A 16 14.767 -13.806 1.841 1.00 0.00 C ATOM 236 C VAL A 16 14.554 -13.883 3.344 1.00 0.00 C ATOM 237 O VAL A 16 14.645 -12.864 4.031 1.00 0.00 O ATOM 238 CB VAL A 16 16.243 -13.398 1.595 1.00 0.00 C ATOM 239 CG1 VAL A 16 17.147 -14.619 1.630 1.00 0.00 C ATOM 240 CG2 VAL A 16 16.393 -12.645 0.280 1.00 0.00 C ATOM 0 H VAL A 16 14.014 -11.888 1.450 1.00 0.00 H new ATOM 0 HA VAL A 16 14.583 -14.769 1.365 1.00 0.00 H new ATOM 0 HB VAL A 16 16.547 -12.725 2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 16 18.179 -14.313 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 16 17.071 -15.100 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 16 16.841 -15.321 0.854 1.00 0.00 H new ATOM 0 HG21 VAL A 16 17.438 -12.372 0.134 1.00 0.00 H new ATOM 0 HG22 VAL A 16 16.066 -13.281 -0.543 1.00 0.00 H new ATOM 0 HG23 VAL A 16 15.782 -11.743 0.306 1.00 0.00 H new ATOM 250 N PRO A 17 14.227 -15.077 3.868 1.00 0.00 N ATOM 251 CA PRO A 17 14.269 -15.338 5.306 1.00 0.00 C ATOM 252 C PRO A 17 15.688 -15.148 5.821 1.00 0.00 C ATOM 253 O PRO A 17 16.494 -16.085 5.835 1.00 0.00 O ATOM 254 CB PRO A 17 13.833 -16.800 5.438 1.00 0.00 C ATOM 255 CG PRO A 17 13.132 -17.114 4.161 1.00 0.00 C ATOM 256 CD PRO A 17 13.768 -16.249 3.109 1.00 0.00 C ATOM 0 HA PRO A 17 13.631 -14.667 5.882 1.00 0.00 H new ATOM 0 HB2 PRO A 17 14.691 -17.455 5.588 1.00 0.00 H new ATOM 0 HB3 PRO A 17 13.173 -16.939 6.294 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.234 -18.170 3.911 1.00 0.00 H new ATOM 0 HG3 PRO A 17 12.065 -16.907 4.242 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.596 -16.758 2.616 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.056 -15.971 2.332 1.00 0.00 H new ATOM 264 N ASN A 18 15.995 -13.918 6.201 1.00 0.00 N ATOM 265 CA ASN A 18 17.365 -13.518 6.455 1.00 0.00 C ATOM 266 C ASN A 18 17.416 -12.295 7.356 1.00 0.00 C ATOM 267 O ASN A 18 18.116 -12.281 8.367 1.00 0.00 O ATOM 268 CB ASN A 18 18.045 -13.202 5.114 1.00 0.00 C ATOM 269 CG ASN A 18 19.465 -12.694 5.263 1.00 0.00 C ATOM 270 OD1 ASN A 18 19.938 -11.888 4.462 1.00 0.00 O ATOM 271 ND2 ASN A 18 20.163 -13.189 6.258 1.00 0.00 N ATOM 0 H ASN A 18 15.308 -13.177 6.340 1.00 0.00 H new ATOM 0 HA ASN A 18 17.885 -14.332 6.960 1.00 0.00 H new ATOM 0 HB2 ASN A 18 18.052 -14.101 4.498 1.00 0.00 H new ATOM 0 HB3 ASN A 18 17.454 -12.456 4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 18 21.135 -12.908 6.389 1.00 0.00 H new ATOM 0 HD22 ASN A 18 19.734 -13.855 6.900 1.00 0.00 H new ATOM 278 N THR A 19 16.661 -11.280 6.985 1.00 0.00 N ATOM 279 CA THR A 19 16.723 -9.996 7.657 1.00 0.00 C ATOM 280 C THR A 19 15.389 -9.261 7.506 1.00 0.00 C ATOM 281 O THR A 19 14.400 -9.852 7.070 1.00 0.00 O ATOM 282 CB THR A 19 17.883 -9.149 7.068 1.00 0.00 C ATOM 283 OG1 THR A 19 18.019 -7.900 7.762 1.00 0.00 O ATOM 284 CG2 THR A 19 17.664 -8.890 5.580 1.00 0.00 C ATOM 0 H THR A 19 15.992 -11.320 6.216 1.00 0.00 H new ATOM 0 HA THR A 19 16.911 -10.155 8.719 1.00 0.00 H new ATOM 0 HB THR A 19 18.802 -9.720 7.197 1.00 0.00 H new ATOM 0 HG1 THR A 19 18.758 -7.388 7.372 1.00 0.00 H new ATOM 0 HG21 THR A 19 18.489 -8.295 5.189 1.00 0.00 H new ATOM 0 HG22 THR A 19 17.618 -9.840 5.048 1.00 0.00 H new ATOM 0 HG23 THR A 19 16.728 -8.350 5.439 1.00 0.00 H new ATOM 292 N VAL A 20 15.362 -7.993 7.887 1.00 0.00 N ATOM 293 CA VAL A 20 14.187 -7.159 7.692 1.00 0.00 C ATOM 294 C VAL A 20 14.120 -6.717 6.238 1.00 0.00 C ATOM 295 O VAL A 20 14.990 -5.983 5.761 1.00 0.00 O ATOM 296 CB VAL A 20 14.205 -5.915 8.607 1.00 0.00 C ATOM 297 CG1 VAL A 20 12.906 -5.130 8.476 1.00 0.00 C ATOM 298 CG2 VAL A 20 14.447 -6.315 10.054 1.00 0.00 C ATOM 0 H VAL A 20 16.145 -7.517 8.335 1.00 0.00 H new ATOM 0 HA VAL A 20 13.309 -7.750 7.952 1.00 0.00 H new ATOM 0 HB VAL A 20 15.025 -5.271 8.289 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.940 -4.258 9.129 1.00 0.00 H new ATOM 0 HG12 VAL A 20 12.780 -4.805 7.443 1.00 0.00 H new ATOM 0 HG13 VAL A 20 12.067 -5.765 8.762 1.00 0.00 H new ATOM 0 HG21 VAL A 20 14.456 -5.424 10.681 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.652 -6.983 10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 20 15.407 -6.825 10.135 1.00 0.00 H new ATOM 308 N ASN A 21 13.103 -7.179 5.536 1.00 0.00 N ATOM 309 CA ASN A 21 12.972 -6.919 4.113 1.00 0.00 C ATOM 310 C ASN A 21 12.256 -5.597 3.877 1.00 0.00 C ATOM 311 O ASN A 21 11.230 -5.312 4.504 1.00 0.00 O ATOM 312 CB ASN A 21 12.206 -8.061 3.434 1.00 0.00 C ATOM 313 CG ASN A 21 12.784 -9.422 3.766 1.00 0.00 C ATOM 314 OD1 ASN A 21 12.412 -10.034 4.758 1.00 0.00 O ATOM 315 ND2 ASN A 21 13.694 -9.910 2.939 1.00 0.00 N ATOM 0 H ASN A 21 12.349 -7.741 5.931 1.00 0.00 H new ATOM 0 HA ASN A 21 13.970 -6.857 3.680 1.00 0.00 H new ATOM 0 HB2 ASN A 21 11.161 -8.028 3.743 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.224 -7.915 2.354 1.00 0.00 H new ATOM 0 HD21 ASN A 21 14.109 -10.824 3.119 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.981 -9.372 2.121 1.00 0.00 H new ATOM 322 N THR A 22 12.815 -4.784 2.993 1.00 0.00 N ATOM 323 CA THR A 22 12.212 -3.515 2.632 1.00 0.00 C ATOM 324 C THR A 22 11.077 -3.734 1.636 1.00 0.00 C ATOM 325 O THR A 22 11.303 -3.821 0.427 1.00 0.00 O ATOM 326 CB THR A 22 13.250 -2.556 2.019 1.00 0.00 C ATOM 327 OG1 THR A 22 14.410 -2.491 2.860 1.00 0.00 O ATOM 328 CG2 THR A 22 12.666 -1.162 1.846 1.00 0.00 C ATOM 0 H THR A 22 13.691 -4.985 2.511 1.00 0.00 H new ATOM 0 HA THR A 22 11.819 -3.065 3.544 1.00 0.00 H new ATOM 0 HB THR A 22 13.531 -2.938 1.038 1.00 0.00 H new ATOM 0 HG1 THR A 22 15.067 -1.881 2.464 1.00 0.00 H new ATOM 0 HG21 THR A 22 13.418 -0.504 1.412 1.00 0.00 H new ATOM 0 HG22 THR A 22 11.800 -1.210 1.185 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.360 -0.773 2.817 1.00 0.00 H new ATOM 336 N MET A 23 9.866 -3.851 2.150 1.00 0.00 N ATOM 337 CA MET A 23 8.707 -4.084 1.308 1.00 0.00 C ATOM 338 C MET A 23 8.169 -2.758 0.794 1.00 0.00 C ATOM 339 O MET A 23 7.601 -1.971 1.548 1.00 0.00 O ATOM 340 CB MET A 23 7.620 -4.844 2.074 1.00 0.00 C ATOM 341 CG MET A 23 8.085 -6.188 2.614 1.00 0.00 C ATOM 342 SD MET A 23 8.710 -7.281 1.324 1.00 0.00 S ATOM 343 CE MET A 23 7.241 -7.517 0.329 1.00 0.00 C ATOM 0 H MET A 23 9.660 -3.788 3.147 1.00 0.00 H new ATOM 0 HA MET A 23 9.010 -4.697 0.459 1.00 0.00 H new ATOM 0 HB2 MET A 23 7.274 -4.228 2.904 1.00 0.00 H new ATOM 0 HB3 MET A 23 6.766 -5.002 1.416 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.867 -6.025 3.356 1.00 0.00 H new ATOM 0 HG3 MET A 23 7.255 -6.675 3.126 1.00 0.00 H new ATOM 0 HE1 MET A 23 7.212 -8.542 -0.039 1.00 0.00 H new ATOM 0 HE2 MET A 23 6.356 -7.324 0.935 1.00 0.00 H new ATOM 0 HE3 MET A 23 7.259 -6.828 -0.516 1.00 0.00 H new ATOM 353 N THR A 24 8.380 -2.506 -0.484 1.00 0.00 N ATOM 354 CA THR A 24 7.979 -1.253 -1.091 1.00 0.00 C ATOM 355 C THR A 24 6.642 -1.402 -1.809 1.00 0.00 C ATOM 356 O THR A 24 6.532 -2.131 -2.798 1.00 0.00 O ATOM 357 CB THR A 24 9.048 -0.765 -2.087 1.00 0.00 C ATOM 358 OG1 THR A 24 10.340 -0.819 -1.466 1.00 0.00 O ATOM 359 CG2 THR A 24 8.761 0.660 -2.542 1.00 0.00 C ATOM 0 H THR A 24 8.831 -3.159 -1.125 1.00 0.00 H new ATOM 0 HA THR A 24 7.872 -0.517 -0.294 1.00 0.00 H new ATOM 0 HB THR A 24 9.028 -1.416 -2.961 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.021 -0.510 -2.100 1.00 0.00 H new ATOM 0 HG21 THR A 24 9.531 0.980 -3.244 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.787 0.697 -3.030 1.00 0.00 H new ATOM 0 HG23 THR A 24 8.760 1.325 -1.678 1.00 0.00 H new ATOM 367 N ALA A 25 5.625 -0.730 -1.288 1.00 0.00 N ATOM 368 CA ALA A 25 4.308 -0.740 -1.901 1.00 0.00 C ATOM 369 C ALA A 25 4.061 0.576 -2.622 1.00 0.00 C ATOM 370 O ALA A 25 3.921 1.622 -1.994 1.00 0.00 O ATOM 371 CB ALA A 25 3.234 -0.990 -0.851 1.00 0.00 C ATOM 0 H ALA A 25 5.689 -0.169 -0.438 1.00 0.00 H new ATOM 0 HA ALA A 25 4.264 -1.549 -2.630 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.254 -0.994 -1.327 1.00 0.00 H new ATOM 0 HB2 ALA A 25 3.410 -1.954 -0.373 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.269 -0.201 -0.100 1.00 0.00 H new ATOM 377 N THR A 26 4.034 0.528 -3.937 1.00 0.00 N ATOM 378 CA THR A 26 3.832 1.723 -4.732 1.00 0.00 C ATOM 379 C THR A 26 2.342 1.980 -4.933 1.00 0.00 C ATOM 380 O THR A 26 1.643 1.191 -5.571 1.00 0.00 O ATOM 381 CB THR A 26 4.535 1.597 -6.096 1.00 0.00 C ATOM 382 OG1 THR A 26 5.902 1.201 -5.896 1.00 0.00 O ATOM 383 CG2 THR A 26 4.489 2.914 -6.860 1.00 0.00 C ATOM 0 H THR A 26 4.150 -0.328 -4.480 1.00 0.00 H new ATOM 0 HA THR A 26 4.267 2.566 -4.196 1.00 0.00 H new ATOM 0 HB THR A 26 4.013 0.843 -6.685 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.430 1.978 -5.616 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.993 2.796 -7.819 1.00 0.00 H new ATOM 0 HG22 THR A 26 3.451 3.201 -7.028 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.990 3.689 -6.280 1.00 0.00 H new ATOM 391 N ILE A 27 1.857 3.071 -4.362 1.00 0.00 N ATOM 392 CA ILE A 27 0.452 3.428 -4.459 1.00 0.00 C ATOM 393 C ILE A 27 0.268 4.507 -5.519 1.00 0.00 C ATOM 394 O ILE A 27 0.886 5.569 -5.440 1.00 0.00 O ATOM 395 CB ILE A 27 -0.095 3.948 -3.108 1.00 0.00 C ATOM 396 CG1 ILE A 27 0.389 3.071 -1.943 1.00 0.00 C ATOM 397 CG2 ILE A 27 -1.615 4.006 -3.137 1.00 0.00 C ATOM 398 CD1 ILE A 27 0.027 1.605 -2.066 1.00 0.00 C ATOM 0 H ILE A 27 2.421 3.728 -3.823 1.00 0.00 H new ATOM 0 HA ILE A 27 -0.102 2.530 -4.733 1.00 0.00 H new ATOM 0 HB ILE A 27 0.289 4.956 -2.953 1.00 0.00 H new ATOM 0 HG12 ILE A 27 1.473 3.159 -1.865 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.030 3.459 -1.015 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.983 4.374 -2.179 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.938 4.678 -3.932 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -2.014 3.008 -3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 27 0.408 1.062 -1.201 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.057 1.500 -2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.469 1.196 -2.974 1.00 0.00 H new ATOM 410 N GLU A 28 -0.564 4.235 -6.510 1.00 0.00 N ATOM 411 CA GLU A 28 -0.803 5.185 -7.586 1.00 0.00 C ATOM 412 C GLU A 28 -2.251 5.655 -7.552 1.00 0.00 C ATOM 413 O GLU A 28 -3.175 4.848 -7.635 1.00 0.00 O ATOM 414 CB GLU A 28 -0.479 4.540 -8.939 1.00 0.00 C ATOM 415 CG GLU A 28 -0.535 5.498 -10.114 1.00 0.00 C ATOM 416 CD GLU A 28 -0.130 4.848 -11.421 1.00 0.00 C ATOM 417 OE1 GLU A 28 1.074 4.576 -11.605 1.00 0.00 O ATOM 418 OE2 GLU A 28 -1.010 4.608 -12.273 1.00 0.00 O ATOM 0 H GLU A 28 -1.087 3.363 -6.593 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.153 6.049 -7.450 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.517 4.101 -8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.179 3.724 -9.117 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.547 5.892 -10.208 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.120 6.346 -9.917 1.00 0.00 H new ATOM 425 N ASN A 29 -2.444 6.955 -7.399 1.00 0.00 N ATOM 426 CA ASN A 29 -3.786 7.526 -7.389 1.00 0.00 C ATOM 427 C ASN A 29 -4.267 7.737 -8.813 1.00 0.00 C ATOM 428 O ASN A 29 -3.921 8.726 -9.456 1.00 0.00 O ATOM 429 CB ASN A 29 -3.806 8.848 -6.617 1.00 0.00 C ATOM 430 CG ASN A 29 -5.163 9.534 -6.648 1.00 0.00 C ATOM 431 OD1 ASN A 29 -6.202 8.891 -6.771 1.00 0.00 O ATOM 432 ND2 ASN A 29 -5.155 10.852 -6.533 1.00 0.00 N ATOM 0 H ASN A 29 -1.693 7.635 -7.280 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.458 6.830 -6.887 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.523 8.662 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -3.056 9.519 -7.037 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.033 11.370 -6.545 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.270 11.350 -6.433 1.00 0.00 H new ATOM 439 N GLN A 30 -5.060 6.801 -9.302 1.00 0.00 N ATOM 440 CA GLN A 30 -5.522 6.824 -10.680 1.00 0.00 C ATOM 441 C GLN A 30 -6.883 7.502 -10.780 1.00 0.00 C ATOM 442 O GLN A 30 -7.769 7.056 -11.510 1.00 0.00 O ATOM 443 CB GLN A 30 -5.589 5.397 -11.231 1.00 0.00 C ATOM 444 CG GLN A 30 -4.248 4.684 -11.209 1.00 0.00 C ATOM 445 CD GLN A 30 -4.300 3.297 -11.819 1.00 0.00 C ATOM 446 OE1 GLN A 30 -5.324 2.613 -11.775 1.00 0.00 O ATOM 447 NE2 GLN A 30 -3.187 2.872 -12.392 1.00 0.00 N ATOM 0 H GLN A 30 -5.401 6.007 -8.760 1.00 0.00 H new ATOM 0 HA GLN A 30 -4.814 7.399 -11.277 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.308 4.822 -10.647 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.961 5.427 -12.255 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.516 5.284 -11.749 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.901 4.608 -10.179 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.361 3.470 -12.407 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.155 1.946 -12.819 1.00 0.00 H new ATOM 456 N GLY A 31 -7.022 8.620 -10.088 1.00 0.00 N ATOM 457 CA GLY A 31 -8.281 9.327 -10.062 1.00 0.00 C ATOM 458 C GLY A 31 -8.068 10.819 -10.032 1.00 0.00 C ATOM 459 O GLY A 31 -7.083 11.299 -9.465 1.00 0.00 O ATOM 0 H GLY A 31 -6.278 9.053 -9.540 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.870 9.059 -10.939 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.855 9.021 -9.187 1.00 0.00 H new ATOM 463 N ASN A 32 -8.985 11.555 -10.637 1.00 0.00 N ATOM 464 CA ASN A 32 -8.809 12.990 -10.819 1.00 0.00 C ATOM 465 C ASN A 32 -9.262 13.768 -9.585 1.00 0.00 C ATOM 466 O ASN A 32 -10.213 14.543 -9.629 1.00 0.00 O ATOM 467 CB ASN A 32 -9.551 13.465 -12.078 1.00 0.00 C ATOM 468 CG ASN A 32 -9.254 14.915 -12.433 1.00 0.00 C ATOM 469 OD1 ASN A 32 -8.226 15.216 -13.035 1.00 0.00 O ATOM 470 ND2 ASN A 32 -10.163 15.815 -12.094 1.00 0.00 N ATOM 0 H ASN A 32 -9.859 11.185 -11.011 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.745 13.187 -10.953 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.275 12.827 -12.918 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.624 13.346 -11.927 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.022 16.797 -12.332 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -11.004 15.527 -11.594 1.00 0.00 H new ATOM 477 N LYS A 33 -8.605 13.509 -8.467 1.00 0.00 N ATOM 478 CA LYS A 33 -8.778 14.310 -7.267 1.00 0.00 C ATOM 479 C LYS A 33 -7.603 14.072 -6.333 1.00 0.00 C ATOM 480 O LYS A 33 -6.934 13.043 -6.422 1.00 0.00 O ATOM 481 CB LYS A 33 -10.091 13.976 -6.549 1.00 0.00 C ATOM 482 CG LYS A 33 -10.452 14.969 -5.453 1.00 0.00 C ATOM 483 CD LYS A 33 -11.639 14.496 -4.634 1.00 0.00 C ATOM 484 CE LYS A 33 -12.054 15.527 -3.596 1.00 0.00 C ATOM 485 NZ LYS A 33 -10.958 15.836 -2.638 1.00 0.00 N ATOM 0 H LYS A 33 -7.940 12.742 -8.366 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.819 15.360 -7.558 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.898 13.945 -7.281 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -10.015 12.979 -6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -9.593 15.116 -4.798 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -10.681 15.937 -5.900 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -12.479 14.289 -5.297 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -11.387 13.560 -4.136 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -12.362 16.443 -4.100 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -12.920 15.158 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.333 16.408 -1.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.565 14.949 -2.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -10.209 16.366 -3.127 1.00 0.00 H new ATOM 499 N ASP A 34 -7.346 15.022 -5.454 1.00 0.00 N ATOM 500 CA ASP A 34 -6.309 14.868 -4.449 1.00 0.00 C ATOM 501 C ASP A 34 -6.830 14.038 -3.285 1.00 0.00 C ATOM 502 O ASP A 34 -8.039 13.984 -3.036 1.00 0.00 O ATOM 503 CB ASP A 34 -5.844 16.234 -3.938 1.00 0.00 C ATOM 504 CG ASP A 34 -6.922 16.959 -3.157 1.00 0.00 C ATOM 505 OD1 ASP A 34 -7.940 17.354 -3.766 1.00 0.00 O ATOM 506 OD2 ASP A 34 -6.764 17.141 -1.932 1.00 0.00 O ATOM 0 H ASP A 34 -7.843 15.912 -5.415 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.462 14.358 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.967 16.102 -3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.536 16.849 -4.784 1.00 0.00 H new ATOM 511 N SER A 35 -5.922 13.391 -2.584 1.00 0.00 N ATOM 512 CA SER A 35 -6.274 12.616 -1.413 1.00 0.00 C ATOM 513 C SER A 35 -5.470 13.094 -0.211 1.00 0.00 C ATOM 514 O SER A 35 -4.270 13.366 -0.319 1.00 0.00 O ATOM 515 CB SER A 35 -6.038 11.123 -1.670 1.00 0.00 C ATOM 516 OG SER A 35 -4.739 10.889 -2.183 1.00 0.00 O ATOM 0 H SER A 35 -4.927 13.387 -2.808 1.00 0.00 H new ATOM 0 HA SER A 35 -7.333 12.759 -1.199 1.00 0.00 H new ATOM 0 HB2 SER A 35 -6.171 10.567 -0.742 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.782 10.751 -2.374 1.00 0.00 H new ATOM 0 HG SER A 35 -4.349 11.736 -2.485 1.00 0.00 H new ATOM 522 N THR A 36 -6.142 13.226 0.921 1.00 0.00 N ATOM 523 CA THR A 36 -5.502 13.658 2.148 1.00 0.00 C ATOM 524 C THR A 36 -4.703 12.518 2.776 1.00 0.00 C ATOM 525 O THR A 36 -4.440 11.506 2.124 1.00 0.00 O ATOM 526 CB THR A 36 -6.554 14.180 3.142 1.00 0.00 C ATOM 527 OG1 THR A 36 -7.715 13.336 3.108 1.00 0.00 O ATOM 528 CG2 THR A 36 -6.946 15.610 2.808 1.00 0.00 C ATOM 0 H THR A 36 -7.140 13.038 1.013 1.00 0.00 H new ATOM 0 HA THR A 36 -4.812 14.466 1.906 1.00 0.00 H new ATOM 0 HB THR A 36 -6.123 14.165 4.143 1.00 0.00 H new ATOM 0 HG1 THR A 36 -8.382 13.671 3.744 1.00 0.00 H new ATOM 0 HG21 THR A 36 -7.691 15.960 3.523 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.065 16.250 2.859 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.364 15.647 1.802 1.00 0.00 H new ATOM 536 N SER A 37 -4.300 12.692 4.027 1.00 0.00 N ATOM 537 CA SER A 37 -3.548 11.668 4.727 1.00 0.00 C ATOM 538 C SER A 37 -4.365 10.386 4.835 1.00 0.00 C ATOM 539 O SER A 37 -5.398 10.347 5.504 1.00 0.00 O ATOM 540 CB SER A 37 -3.140 12.163 6.117 1.00 0.00 C ATOM 541 OG SER A 37 -2.112 11.355 6.669 1.00 0.00 O ATOM 0 H SER A 37 -4.483 13.533 4.575 1.00 0.00 H new ATOM 0 HA SER A 37 -2.644 11.452 4.158 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.799 13.196 6.052 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.007 12.155 6.778 1.00 0.00 H new ATOM 0 HG SER A 37 -1.574 10.971 5.946 1.00 0.00 H new ATOM 547 N PHE A 38 -3.906 9.352 4.151 1.00 0.00 N ATOM 548 CA PHE A 38 -4.568 8.061 4.185 1.00 0.00 C ATOM 549 C PHE A 38 -3.621 7.019 4.762 1.00 0.00 C ATOM 550 O PHE A 38 -2.405 7.104 4.584 1.00 0.00 O ATOM 551 CB PHE A 38 -5.046 7.652 2.783 1.00 0.00 C ATOM 552 CG PHE A 38 -3.937 7.361 1.811 1.00 0.00 C ATOM 553 CD1 PHE A 38 -3.254 8.388 1.176 1.00 0.00 C ATOM 554 CD2 PHE A 38 -3.576 6.054 1.536 1.00 0.00 C ATOM 555 CE1 PHE A 38 -2.232 8.110 0.288 1.00 0.00 C ATOM 556 CE2 PHE A 38 -2.560 5.775 0.650 1.00 0.00 C ATOM 557 CZ PHE A 38 -1.886 6.798 0.027 1.00 0.00 C ATOM 0 H PHE A 38 -3.073 9.383 3.563 1.00 0.00 H new ATOM 0 HA PHE A 38 -5.449 8.131 4.824 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -5.677 6.768 2.871 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -5.669 8.449 2.377 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -3.523 9.414 1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.098 5.243 2.022 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.705 8.916 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.292 4.749 0.444 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.087 6.577 -0.665 1.00 0.00 H new ATOM 567 N ASN A 39 -4.176 6.047 5.457 1.00 0.00 N ATOM 568 CA ASN A 39 -3.378 5.041 6.147 1.00 0.00 C ATOM 569 C ASN A 39 -3.119 3.852 5.233 1.00 0.00 C ATOM 570 O ASN A 39 -4.046 3.306 4.659 1.00 0.00 O ATOM 571 CB ASN A 39 -4.125 4.584 7.405 1.00 0.00 C ATOM 572 CG ASN A 39 -3.306 3.684 8.312 1.00 0.00 C ATOM 573 OD1 ASN A 39 -2.428 2.947 7.867 1.00 0.00 O ATOM 574 ND2 ASN A 39 -3.607 3.735 9.598 1.00 0.00 N ATOM 0 H ASN A 39 -5.184 5.928 5.562 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.418 5.473 6.428 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.439 5.462 7.969 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -5.031 4.056 7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -3.103 3.148 10.263 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -4.343 4.361 9.925 1.00 0.00 H new ATOM 581 N VAL A 40 -1.874 3.441 5.088 1.00 0.00 N ATOM 582 CA VAL A 40 -1.573 2.264 4.298 1.00 0.00 C ATOM 583 C VAL A 40 -0.914 1.207 5.176 1.00 0.00 C ATOM 584 O VAL A 40 0.197 1.387 5.680 1.00 0.00 O ATOM 585 CB VAL A 40 -0.725 2.598 3.040 1.00 0.00 C ATOM 586 CG1 VAL A 40 0.171 1.442 2.637 1.00 0.00 C ATOM 587 CG2 VAL A 40 -1.643 2.937 1.883 1.00 0.00 C ATOM 0 H VAL A 40 -1.062 3.899 5.502 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.511 1.858 3.919 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.091 3.449 3.288 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.746 1.718 1.753 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.853 1.208 3.455 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.441 0.568 2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.046 3.171 1.001 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -2.288 2.085 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.256 3.799 2.145 1.00 0.00 H new ATOM 597 N SER A 41 -1.639 0.123 5.395 1.00 0.00 N ATOM 598 CA SER A 41 -1.197 -0.926 6.294 1.00 0.00 C ATOM 599 C SER A 41 -0.868 -2.199 5.521 1.00 0.00 C ATOM 600 O SER A 41 -1.537 -2.529 4.541 1.00 0.00 O ATOM 601 CB SER A 41 -2.295 -1.213 7.317 1.00 0.00 C ATOM 602 OG SER A 41 -2.789 -0.012 7.891 1.00 0.00 O ATOM 0 H SER A 41 -2.544 -0.053 4.958 1.00 0.00 H new ATOM 0 HA SER A 41 -0.294 -0.591 6.805 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.111 -1.752 6.836 1.00 0.00 H new ATOM 0 HB3 SER A 41 -1.904 -1.860 8.102 1.00 0.00 H new ATOM 0 HG SER A 41 -3.491 -0.225 8.541 1.00 0.00 H new ATOM 608 N LEU A 42 0.164 -2.904 5.961 1.00 0.00 N ATOM 609 CA LEU A 42 0.533 -4.170 5.353 1.00 0.00 C ATOM 610 C LEU A 42 0.066 -5.322 6.229 1.00 0.00 C ATOM 611 O LEU A 42 0.540 -5.492 7.356 1.00 0.00 O ATOM 612 CB LEU A 42 2.046 -4.259 5.142 1.00 0.00 C ATOM 613 CG LEU A 42 2.532 -5.559 4.493 1.00 0.00 C ATOM 614 CD1 LEU A 42 1.953 -5.718 3.095 1.00 0.00 C ATOM 615 CD2 LEU A 42 4.051 -5.593 4.447 1.00 0.00 C ATOM 0 H LEU A 42 0.760 -2.619 6.738 1.00 0.00 H new ATOM 0 HA LEU A 42 0.047 -4.234 4.379 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.361 -3.420 4.521 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.540 -4.145 6.107 1.00 0.00 H new ATOM 0 HG LEU A 42 2.183 -6.394 5.101 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.313 -6.648 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.865 -5.741 3.152 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.266 -4.879 2.474 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.380 -6.523 3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.416 -4.747 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 42 4.447 -5.533 5.461 1.00 0.00 H new ATOM 627 N LEU A 43 -0.875 -6.092 5.718 1.00 0.00 N ATOM 628 CA LEU A 43 -1.400 -7.231 6.444 1.00 0.00 C ATOM 629 C LEU A 43 -0.802 -8.524 5.913 1.00 0.00 C ATOM 630 O LEU A 43 -0.612 -8.682 4.711 1.00 0.00 O ATOM 631 CB LEU A 43 -2.929 -7.295 6.341 1.00 0.00 C ATOM 632 CG LEU A 43 -3.682 -6.051 6.826 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.850 -5.039 5.705 1.00 0.00 C ATOM 634 CD2 LEU A 43 -5.031 -6.439 7.406 1.00 0.00 C ATOM 0 H LEU A 43 -1.293 -5.948 4.799 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.125 -7.110 7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.197 -7.476 5.300 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.277 -8.154 6.914 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.089 -5.582 7.611 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.388 -4.168 6.079 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.869 -4.732 5.342 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.414 -5.490 4.889 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.552 -5.544 7.745 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.626 -6.937 6.641 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.884 -7.115 8.249 1.00 0.00 H new ATOM 646 N VAL A 44 -0.484 -9.432 6.816 1.00 0.00 N ATOM 647 CA VAL A 44 -0.064 -10.769 6.447 1.00 0.00 C ATOM 648 C VAL A 44 -1.154 -11.750 6.846 1.00 0.00 C ATOM 649 O VAL A 44 -1.405 -11.954 8.038 1.00 0.00 O ATOM 650 CB VAL A 44 1.274 -11.168 7.107 1.00 0.00 C ATOM 651 CG1 VAL A 44 1.624 -12.612 6.780 1.00 0.00 C ATOM 652 CG2 VAL A 44 2.387 -10.243 6.646 1.00 0.00 C ATOM 0 H VAL A 44 -0.510 -9.264 7.822 1.00 0.00 H new ATOM 0 HA VAL A 44 0.097 -10.790 5.369 1.00 0.00 H new ATOM 0 HB VAL A 44 1.164 -11.075 8.187 1.00 0.00 H new ATOM 0 HG11 VAL A 44 2.570 -12.873 7.254 1.00 0.00 H new ATOM 0 HG12 VAL A 44 0.838 -13.270 7.151 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.715 -12.729 5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.324 -10.537 7.120 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.491 -10.311 5.563 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.146 -9.217 6.924 1.00 0.00 H new ATOM 662 N ASP A 45 -1.816 -12.315 5.837 1.00 0.00 N ATOM 663 CA ASP A 45 -2.968 -13.199 6.027 1.00 0.00 C ATOM 664 C ASP A 45 -4.156 -12.420 6.579 1.00 0.00 C ATOM 665 O ASP A 45 -5.105 -12.124 5.854 1.00 0.00 O ATOM 666 CB ASP A 45 -2.631 -14.382 6.943 1.00 0.00 C ATOM 667 CG ASP A 45 -3.788 -15.354 7.081 1.00 0.00 C ATOM 668 OD1 ASP A 45 -3.893 -16.276 6.247 1.00 0.00 O ATOM 669 OD2 ASP A 45 -4.597 -15.202 8.020 1.00 0.00 O ATOM 0 H ASP A 45 -1.567 -12.172 4.858 1.00 0.00 H new ATOM 0 HA ASP A 45 -3.235 -13.603 5.051 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.763 -14.909 6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.355 -14.008 7.929 1.00 0.00 H new ATOM 674 N GLY A 46 -4.084 -12.072 7.854 1.00 0.00 N ATOM 675 CA GLY A 46 -5.146 -11.311 8.478 1.00 0.00 C ATOM 676 C GLY A 46 -4.652 -10.421 9.604 1.00 0.00 C ATOM 677 O GLY A 46 -5.451 -9.811 10.312 1.00 0.00 O ATOM 0 H GLY A 46 -3.305 -12.304 8.471 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -5.637 -10.696 7.724 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.898 -11.998 8.867 1.00 0.00 H new ATOM 681 N ILE A 47 -3.340 -10.339 9.778 1.00 0.00 N ATOM 682 CA ILE A 47 -2.769 -9.521 10.843 1.00 0.00 C ATOM 683 C ILE A 47 -1.930 -8.403 10.243 1.00 0.00 C ATOM 684 O ILE A 47 -1.308 -8.581 9.199 1.00 0.00 O ATOM 685 CB ILE A 47 -1.877 -10.346 11.796 1.00 0.00 C ATOM 686 CG1 ILE A 47 -2.486 -11.730 12.048 1.00 0.00 C ATOM 687 CG2 ILE A 47 -1.684 -9.605 13.112 1.00 0.00 C ATOM 688 CD1 ILE A 47 -1.621 -12.629 12.907 1.00 0.00 C ATOM 0 H ILE A 47 -2.654 -10.825 9.201 1.00 0.00 H new ATOM 0 HA ILE A 47 -3.603 -9.115 11.416 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.904 -10.481 11.324 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.457 -11.608 12.528 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.664 -12.219 11.090 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.053 -10.198 13.774 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.207 -8.643 12.922 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.653 -9.442 13.584 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.117 -13.590 13.042 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.659 -12.782 12.419 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.464 -12.162 13.879 1.00 0.00 H new ATOM 700 N VAL A 48 -1.901 -7.266 10.909 1.00 0.00 N ATOM 701 CA VAL A 48 -1.174 -6.106 10.410 1.00 0.00 C ATOM 702 C VAL A 48 0.229 -6.067 11.002 1.00 0.00 C ATOM 703 O VAL A 48 0.392 -5.903 12.211 1.00 0.00 O ATOM 704 CB VAL A 48 -1.898 -4.786 10.748 1.00 0.00 C ATOM 705 CG1 VAL A 48 -1.206 -3.611 10.076 1.00 0.00 C ATOM 706 CG2 VAL A 48 -3.363 -4.850 10.343 1.00 0.00 C ATOM 0 H VAL A 48 -2.373 -7.116 11.801 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.120 -6.203 9.326 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.853 -4.641 11.827 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.730 -2.689 10.326 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.175 -3.548 10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -1.216 -3.753 8.995 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.851 -3.908 10.592 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.436 -5.024 9.270 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -3.853 -5.664 10.877 1.00 0.00 H new ATOM 716 N VAL A 49 1.237 -6.219 10.152 1.00 0.00 N ATOM 717 CA VAL A 49 2.620 -6.245 10.614 1.00 0.00 C ATOM 718 C VAL A 49 3.237 -4.849 10.609 1.00 0.00 C ATOM 719 O VAL A 49 4.104 -4.545 11.426 1.00 0.00 O ATOM 720 CB VAL A 49 3.496 -7.197 9.768 1.00 0.00 C ATOM 721 CG1 VAL A 49 3.031 -8.635 9.930 1.00 0.00 C ATOM 722 CG2 VAL A 49 3.482 -6.795 8.301 1.00 0.00 C ATOM 0 H VAL A 49 1.124 -6.326 9.144 1.00 0.00 H new ATOM 0 HA VAL A 49 2.593 -6.619 11.638 1.00 0.00 H new ATOM 0 HB VAL A 49 4.522 -7.120 10.129 1.00 0.00 H new ATOM 0 HG11 VAL A 49 3.659 -9.291 9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.104 -8.925 10.978 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.995 -8.722 9.601 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.106 -7.482 7.730 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.460 -6.833 7.923 1.00 0.00 H new ATOM 0 HG23 VAL A 49 3.869 -5.781 8.198 1.00 0.00 H new ATOM 732 N ASP A 50 2.778 -3.999 9.698 1.00 0.00 N ATOM 733 CA ASP A 50 3.312 -2.647 9.583 1.00 0.00 C ATOM 734 C ASP A 50 2.220 -1.699 9.101 1.00 0.00 C ATOM 735 O ASP A 50 1.349 -2.086 8.319 1.00 0.00 O ATOM 736 CB ASP A 50 4.510 -2.622 8.625 1.00 0.00 C ATOM 737 CG ASP A 50 5.324 -1.339 8.712 1.00 0.00 C ATOM 738 OD1 ASP A 50 4.992 -0.457 9.537 1.00 0.00 O ATOM 739 OD2 ASP A 50 6.310 -1.212 7.954 1.00 0.00 O ATOM 0 H ASP A 50 2.040 -4.221 9.030 1.00 0.00 H new ATOM 0 HA ASP A 50 3.655 -2.318 10.564 1.00 0.00 H new ATOM 0 HB2 ASP A 50 5.158 -3.471 8.843 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.152 -2.748 7.603 1.00 0.00 H new ATOM 744 N THR A 51 2.265 -0.474 9.585 1.00 0.00 N ATOM 745 CA THR A 51 1.255 0.526 9.284 1.00 0.00 C ATOM 746 C THR A 51 1.920 1.868 9.008 1.00 0.00 C ATOM 747 O THR A 51 2.527 2.458 9.899 1.00 0.00 O ATOM 748 CB THR A 51 0.281 0.670 10.469 1.00 0.00 C ATOM 749 OG1 THR A 51 -0.289 -0.605 10.779 1.00 0.00 O ATOM 750 CG2 THR A 51 -0.827 1.663 10.162 1.00 0.00 C ATOM 0 H THR A 51 3.006 -0.141 10.201 1.00 0.00 H new ATOM 0 HA THR A 51 0.700 0.208 8.401 1.00 0.00 H new ATOM 0 HB THR A 51 0.843 1.045 11.324 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.907 -0.512 11.534 1.00 0.00 H new ATOM 0 HG21 THR A 51 -1.495 1.739 11.020 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.392 2.640 9.953 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.390 1.323 9.293 1.00 0.00 H new ATOM 758 N GLN A 52 1.812 2.353 7.780 1.00 0.00 N ATOM 759 CA GLN A 52 2.458 3.599 7.415 1.00 0.00 C ATOM 760 C GLN A 52 1.444 4.561 6.812 1.00 0.00 C ATOM 761 O GLN A 52 0.999 4.386 5.677 1.00 0.00 O ATOM 762 CB GLN A 52 3.604 3.346 6.431 1.00 0.00 C ATOM 763 CG GLN A 52 4.567 4.519 6.307 1.00 0.00 C ATOM 764 CD GLN A 52 4.701 5.033 4.886 1.00 0.00 C ATOM 765 OE1 GLN A 52 5.552 4.576 4.125 1.00 0.00 O ATOM 766 NE2 GLN A 52 3.868 5.995 4.521 1.00 0.00 N ATOM 0 H GLN A 52 1.288 1.906 7.028 1.00 0.00 H new ATOM 0 HA GLN A 52 2.874 4.049 8.317 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.158 2.463 6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 52 3.187 3.123 5.449 1.00 0.00 H new ATOM 0 HG2 GLN A 52 4.226 5.331 6.950 1.00 0.00 H new ATOM 0 HG3 GLN A 52 5.549 4.215 6.671 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.175 6.348 5.182 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.919 6.383 3.579 1.00 0.00 H new ATOM 775 N THR A 53 1.067 5.562 7.583 1.00 0.00 N ATOM 776 CA THR A 53 0.135 6.567 7.120 1.00 0.00 C ATOM 777 C THR A 53 0.829 7.507 6.136 1.00 0.00 C ATOM 778 O THR A 53 1.935 7.988 6.394 1.00 0.00 O ATOM 779 CB THR A 53 -0.437 7.368 8.307 1.00 0.00 C ATOM 780 OG1 THR A 53 -0.876 6.461 9.331 1.00 0.00 O ATOM 781 CG2 THR A 53 -1.604 8.239 7.867 1.00 0.00 C ATOM 0 H THR A 53 1.395 5.700 8.539 1.00 0.00 H new ATOM 0 HA THR A 53 -0.691 6.067 6.614 1.00 0.00 H new ATOM 0 HB THR A 53 0.349 8.016 8.695 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.238 6.970 10.086 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.988 8.793 8.724 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.267 8.940 7.103 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.394 7.609 7.458 1.00 0.00 H new ATOM 789 N VAL A 54 0.194 7.736 4.998 1.00 0.00 N ATOM 790 CA VAL A 54 0.755 8.596 3.971 1.00 0.00 C ATOM 791 C VAL A 54 0.253 10.022 4.158 1.00 0.00 C ATOM 792 O VAL A 54 -0.915 10.237 4.483 1.00 0.00 O ATOM 793 CB VAL A 54 0.394 8.091 2.556 1.00 0.00 C ATOM 794 CG1 VAL A 54 1.064 8.944 1.487 1.00 0.00 C ATOM 795 CG2 VAL A 54 0.786 6.629 2.393 1.00 0.00 C ATOM 0 H VAL A 54 -0.714 7.336 4.762 1.00 0.00 H new ATOM 0 HA VAL A 54 1.840 8.576 4.069 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.686 8.176 2.432 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.794 8.568 0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.732 9.978 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 54 2.146 8.897 1.610 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.524 6.292 1.390 1.00 0.00 H new ATOM 0 HG22 VAL A 54 1.860 6.521 2.543 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.255 6.026 3.129 1.00 0.00 H new ATOM 805 N THR A 55 1.145 10.983 3.972 1.00 0.00 N ATOM 806 CA THR A 55 0.835 12.391 4.175 1.00 0.00 C ATOM 807 C THR A 55 -0.304 12.867 3.270 1.00 0.00 C ATOM 808 O THR A 55 -1.291 13.423 3.749 1.00 0.00 O ATOM 809 CB THR A 55 2.087 13.245 3.910 1.00 0.00 C ATOM 810 OG1 THR A 55 3.198 12.692 4.626 1.00 0.00 O ATOM 811 CG2 THR A 55 1.868 14.690 4.331 1.00 0.00 C ATOM 0 H THR A 55 2.105 10.809 3.676 1.00 0.00 H new ATOM 0 HA THR A 55 0.511 12.507 5.209 1.00 0.00 H new ATOM 0 HB THR A 55 2.293 13.235 2.840 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.998 13.233 4.458 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.770 15.268 4.131 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.035 15.111 3.768 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.641 14.728 5.396 1.00 0.00 H new ATOM 819 N SER A 56 -0.159 12.642 1.970 1.00 0.00 N ATOM 820 CA SER A 56 -1.138 13.089 0.986 1.00 0.00 C ATOM 821 C SER A 56 -0.711 12.603 -0.393 1.00 0.00 C ATOM 822 O SER A 56 0.481 12.437 -0.650 1.00 0.00 O ATOM 823 CB SER A 56 -1.246 14.624 1.004 1.00 0.00 C ATOM 824 OG SER A 56 -2.236 15.097 0.103 1.00 0.00 O ATOM 0 H SER A 56 0.637 12.146 1.569 1.00 0.00 H new ATOM 0 HA SER A 56 -2.117 12.676 1.229 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.484 14.959 2.013 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.281 15.059 0.743 1.00 0.00 H new ATOM 0 HG SER A 56 -2.996 14.478 0.097 1.00 0.00 H new ATOM 830 N LEU A 57 -1.676 12.356 -1.269 1.00 0.00 N ATOM 831 CA LEU A 57 -1.370 11.910 -2.619 1.00 0.00 C ATOM 832 C LEU A 57 -2.189 12.695 -3.637 1.00 0.00 C ATOM 833 O LEU A 57 -3.395 12.883 -3.475 1.00 0.00 O ATOM 834 CB LEU A 57 -1.626 10.406 -2.754 1.00 0.00 C ATOM 835 CG LEU A 57 -1.280 9.797 -4.115 1.00 0.00 C ATOM 836 CD1 LEU A 57 0.131 10.179 -4.531 1.00 0.00 C ATOM 837 CD2 LEU A 57 -1.420 8.283 -4.066 1.00 0.00 C ATOM 0 H LEU A 57 -2.671 12.457 -1.069 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.314 12.095 -2.818 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.051 9.887 -1.987 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.679 10.215 -2.547 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.977 10.192 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.357 9.736 -5.501 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.209 11.264 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.841 9.811 -3.790 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -1.171 7.863 -5.040 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.743 7.879 -3.313 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.446 8.021 -3.809 1.00 0.00 H new ATOM 849 N GLU A 58 -1.523 13.160 -4.682 1.00 0.00 N ATOM 850 CA GLU A 58 -2.160 13.991 -5.694 1.00 0.00 C ATOM 851 C GLU A 58 -2.747 13.133 -6.806 1.00 0.00 C ATOM 852 O GLU A 58 -2.563 11.916 -6.824 1.00 0.00 O ATOM 853 CB GLU A 58 -1.145 14.972 -6.273 1.00 0.00 C ATOM 854 CG GLU A 58 -0.388 15.746 -5.211 1.00 0.00 C ATOM 855 CD GLU A 58 0.600 16.724 -5.800 1.00 0.00 C ATOM 856 OE1 GLU A 58 1.635 16.280 -6.339 1.00 0.00 O ATOM 857 OE2 GLU A 58 0.348 17.943 -5.721 1.00 0.00 O ATOM 0 H GLU A 58 -0.535 12.975 -4.853 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.971 14.547 -5.224 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.433 14.425 -6.891 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.661 15.675 -6.927 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.098 16.285 -4.584 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.141 15.046 -4.564 1.00 0.00 H new ATOM 864 N SER A 59 -3.450 13.769 -7.731 1.00 0.00 N ATOM 865 CA SER A 59 -4.067 13.067 -8.842 1.00 0.00 C ATOM 866 C SER A 59 -3.014 12.542 -9.815 1.00 0.00 C ATOM 867 O SER A 59 -2.118 13.280 -10.226 1.00 0.00 O ATOM 868 CB SER A 59 -5.047 14.000 -9.555 1.00 0.00 C ATOM 869 OG SER A 59 -4.507 15.309 -9.667 1.00 0.00 O ATOM 0 H SER A 59 -3.607 14.777 -7.732 1.00 0.00 H new ATOM 0 HA SER A 59 -4.611 12.206 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.272 13.609 -10.547 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.988 14.036 -9.005 1.00 0.00 H new ATOM 0 HG SER A 59 -5.149 15.889 -10.127 1.00 0.00 H new ATOM 875 N GLU A 60 -3.116 11.254 -10.142 1.00 0.00 N ATOM 876 CA GLU A 60 -2.230 10.598 -11.109 1.00 0.00 C ATOM 877 C GLU A 60 -0.787 10.522 -10.610 1.00 0.00 C ATOM 878 O GLU A 60 0.131 10.245 -11.382 1.00 0.00 O ATOM 879 CB GLU A 60 -2.281 11.309 -12.465 1.00 0.00 C ATOM 880 CG GLU A 60 -3.658 11.306 -13.106 1.00 0.00 C ATOM 881 CD GLU A 60 -4.240 9.913 -13.235 1.00 0.00 C ATOM 882 OE1 GLU A 60 -3.705 9.104 -14.021 1.00 0.00 O ATOM 883 OE2 GLU A 60 -5.253 9.629 -12.571 1.00 0.00 O ATOM 0 H GLU A 60 -3.818 10.631 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.593 9.577 -11.228 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.952 12.340 -12.337 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -1.574 10.831 -13.143 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.332 11.923 -12.512 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.595 11.762 -14.094 1.00 0.00 H new ATOM 890 N ASN A 61 -0.588 10.737 -9.318 1.00 0.00 N ATOM 891 CA ASN A 61 0.750 10.696 -8.741 1.00 0.00 C ATOM 892 C ASN A 61 0.946 9.395 -7.968 1.00 0.00 C ATOM 893 O ASN A 61 -0.024 8.787 -7.509 1.00 0.00 O ATOM 894 CB ASN A 61 0.981 11.912 -7.831 1.00 0.00 C ATOM 895 CG ASN A 61 2.422 12.037 -7.365 1.00 0.00 C ATOM 896 OD1 ASN A 61 3.346 11.570 -8.031 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.628 12.689 -6.231 1.00 0.00 N ATOM 0 H ASN A 61 -1.332 10.941 -8.651 1.00 0.00 H new ATOM 0 HA ASN A 61 1.483 10.734 -9.547 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.697 12.819 -8.366 1.00 0.00 H new ATOM 0 HB3 ASN A 61 0.328 11.838 -6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.578 12.818 -5.882 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.837 13.062 -5.706 1.00 0.00 H new ATOM 904 N SER A 62 2.192 8.961 -7.842 1.00 0.00 N ATOM 905 CA SER A 62 2.501 7.721 -7.149 1.00 0.00 C ATOM 906 C SER A 62 3.277 7.998 -5.863 1.00 0.00 C ATOM 907 O SER A 62 4.098 8.915 -5.806 1.00 0.00 O ATOM 908 CB SER A 62 3.325 6.804 -8.054 1.00 0.00 C ATOM 909 OG SER A 62 2.759 6.713 -9.353 1.00 0.00 O ATOM 0 H SER A 62 3.006 9.451 -8.212 1.00 0.00 H new ATOM 0 HA SER A 62 1.561 7.231 -6.894 1.00 0.00 H new ATOM 0 HB2 SER A 62 4.345 7.182 -8.126 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.384 5.810 -7.611 1.00 0.00 H new ATOM 0 HG SER A 62 3.309 6.122 -9.909 1.00 0.00 H new ATOM 915 N THR A 63 3.002 7.213 -4.837 1.00 0.00 N ATOM 916 CA THR A 63 3.738 7.291 -3.588 1.00 0.00 C ATOM 917 C THR A 63 4.225 5.905 -3.180 1.00 0.00 C ATOM 918 O THR A 63 3.449 4.950 -3.143 1.00 0.00 O ATOM 919 CB THR A 63 2.871 7.892 -2.463 1.00 0.00 C ATOM 920 OG1 THR A 63 2.494 9.227 -2.813 1.00 0.00 O ATOM 921 CG2 THR A 63 3.617 7.906 -1.135 1.00 0.00 C ATOM 0 H THR A 63 2.266 6.507 -4.845 1.00 0.00 H new ATOM 0 HA THR A 63 4.595 7.946 -3.744 1.00 0.00 H new ATOM 0 HB THR A 63 1.983 7.270 -2.348 1.00 0.00 H new ATOM 0 HG1 THR A 63 1.942 9.609 -2.099 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.978 8.336 -0.363 1.00 0.00 H new ATOM 0 HG22 THR A 63 3.886 6.887 -0.858 1.00 0.00 H new ATOM 0 HG23 THR A 63 4.522 8.506 -1.232 1.00 0.00 H new ATOM 929 N ASN A 64 5.513 5.793 -2.903 1.00 0.00 N ATOM 930 CA ASN A 64 6.100 4.524 -2.505 1.00 0.00 C ATOM 931 C ASN A 64 6.064 4.381 -0.990 1.00 0.00 C ATOM 932 O ASN A 64 6.563 5.239 -0.263 1.00 0.00 O ATOM 933 CB ASN A 64 7.542 4.418 -3.014 1.00 0.00 C ATOM 934 CG ASN A 64 7.629 4.415 -4.531 1.00 0.00 C ATOM 935 OD1 ASN A 64 7.586 3.358 -5.164 1.00 0.00 O ATOM 936 ND2 ASN A 64 7.753 5.595 -5.123 1.00 0.00 N ATOM 0 H ASN A 64 6.174 6.568 -2.947 1.00 0.00 H new ATOM 0 HA ASN A 64 5.516 3.717 -2.948 1.00 0.00 H new ATOM 0 HB2 ASN A 64 8.124 5.253 -2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 64 7.994 3.505 -2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 64 7.817 5.651 -6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 64 7.785 6.446 -4.562 1.00 0.00 H new ATOM 943 N VAL A 65 5.475 3.294 -0.521 1.00 0.00 N ATOM 944 CA VAL A 65 5.340 3.051 0.906 1.00 0.00 C ATOM 945 C VAL A 65 6.469 2.155 1.392 1.00 0.00 C ATOM 946 O VAL A 65 6.762 1.124 0.783 1.00 0.00 O ATOM 947 CB VAL A 65 3.984 2.394 1.235 1.00 0.00 C ATOM 948 CG1 VAL A 65 3.793 2.258 2.738 1.00 0.00 C ATOM 949 CG2 VAL A 65 2.842 3.185 0.614 1.00 0.00 C ATOM 0 H VAL A 65 5.080 2.562 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 65 5.390 4.013 1.415 1.00 0.00 H new ATOM 0 HB VAL A 65 3.980 1.392 0.806 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.829 1.792 2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.590 1.640 3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 65 3.823 3.245 3.199 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.893 2.706 0.857 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.847 4.201 1.008 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.967 3.215 -0.468 1.00 0.00 H new ATOM 959 N ASP A 66 7.096 2.558 2.486 1.00 0.00 N ATOM 960 CA ASP A 66 8.273 1.869 2.992 1.00 0.00 C ATOM 961 C ASP A 66 7.904 0.977 4.174 1.00 0.00 C ATOM 962 O ASP A 66 7.783 1.450 5.304 1.00 0.00 O ATOM 963 CB ASP A 66 9.331 2.898 3.409 1.00 0.00 C ATOM 964 CG ASP A 66 10.682 2.278 3.699 1.00 0.00 C ATOM 965 OD1 ASP A 66 11.355 1.847 2.741 1.00 0.00 O ATOM 966 OD2 ASP A 66 11.084 2.239 4.881 1.00 0.00 O ATOM 0 H ASP A 66 6.808 3.363 3.043 1.00 0.00 H new ATOM 0 HA ASP A 66 8.681 1.237 2.203 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.441 3.639 2.617 1.00 0.00 H new ATOM 0 HB3 ASP A 66 8.984 3.428 4.296 1.00 0.00 H new ATOM 971 N PHE A 67 7.699 -0.307 3.906 1.00 0.00 N ATOM 972 CA PHE A 67 7.340 -1.257 4.953 1.00 0.00 C ATOM 973 C PHE A 67 8.566 -1.992 5.477 1.00 0.00 C ATOM 974 O PHE A 67 9.496 -2.298 4.727 1.00 0.00 O ATOM 975 CB PHE A 67 6.324 -2.280 4.444 1.00 0.00 C ATOM 976 CG PHE A 67 4.932 -1.748 4.272 1.00 0.00 C ATOM 977 CD1 PHE A 67 4.266 -1.159 5.334 1.00 0.00 C ATOM 978 CD2 PHE A 67 4.283 -1.854 3.055 1.00 0.00 C ATOM 979 CE1 PHE A 67 2.979 -0.686 5.185 1.00 0.00 C ATOM 980 CE2 PHE A 67 2.993 -1.386 2.901 1.00 0.00 C ATOM 981 CZ PHE A 67 2.341 -0.803 3.968 1.00 0.00 C ATOM 0 H PHE A 67 7.775 -0.714 2.974 1.00 0.00 H new ATOM 0 HA PHE A 67 6.895 -0.682 5.765 1.00 0.00 H new ATOM 0 HB2 PHE A 67 6.670 -2.670 3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.294 -3.119 5.139 1.00 0.00 H new ATOM 0 HD1 PHE A 67 4.760 -1.069 6.290 1.00 0.00 H new ATOM 0 HD2 PHE A 67 4.791 -2.308 2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 67 2.472 -0.225 6.020 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.495 -1.476 1.947 1.00 0.00 H new ATOM 0 HZ PHE A 67 1.331 -0.438 3.850 1.00 0.00 H new ATOM 991 N HIS A 68 8.556 -2.277 6.771 1.00 0.00 N ATOM 992 CA HIS A 68 9.650 -2.993 7.411 1.00 0.00 C ATOM 993 C HIS A 68 9.154 -4.328 7.945 1.00 0.00 C ATOM 994 O HIS A 68 8.482 -4.392 8.971 1.00 0.00 O ATOM 995 CB HIS A 68 10.260 -2.158 8.543 1.00 0.00 C ATOM 996 CG HIS A 68 10.934 -0.906 8.063 1.00 0.00 C ATOM 997 ND1 HIS A 68 12.239 -0.585 8.362 1.00 0.00 N ATOM 998 CD2 HIS A 68 10.474 0.101 7.289 1.00 0.00 C ATOM 999 CE1 HIS A 68 12.548 0.563 7.789 1.00 0.00 C ATOM 1000 NE2 HIS A 68 11.494 0.999 7.129 1.00 0.00 N ATOM 0 H HIS A 68 7.797 -2.021 7.402 1.00 0.00 H new ATOM 0 HA HIS A 68 10.427 -3.174 6.668 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.475 -1.891 9.251 1.00 0.00 H new ATOM 0 HB3 HIS A 68 10.984 -2.767 9.084 1.00 0.00 H new ATOM 0 HD2 HIS A 68 9.481 0.183 6.872 1.00 0.00 H new ATOM 0 HE1 HIS A 68 13.504 1.061 7.851 1.00 0.00 H new ATOM 0 HE2 HIS A 68 11.446 1.863 6.588 1.00 0.00 H new ATOM 1009 N TRP A 69 9.476 -5.390 7.225 1.00 0.00 N ATOM 1010 CA TRP A 69 9.008 -6.720 7.571 1.00 0.00 C ATOM 1011 C TRP A 69 10.186 -7.628 7.921 1.00 0.00 C ATOM 1012 O TRP A 69 11.001 -7.968 7.066 1.00 0.00 O ATOM 1013 CB TRP A 69 8.184 -7.284 6.402 1.00 0.00 C ATOM 1014 CG TRP A 69 7.843 -8.742 6.514 1.00 0.00 C ATOM 1015 CD1 TRP A 69 7.714 -9.480 7.656 1.00 0.00 C ATOM 1016 CD2 TRP A 69 7.574 -9.637 5.429 1.00 0.00 C ATOM 1017 NE1 TRP A 69 7.415 -10.783 7.344 1.00 0.00 N ATOM 1018 CE2 TRP A 69 7.317 -10.902 5.984 1.00 0.00 C ATOM 1019 CE3 TRP A 69 7.537 -9.490 4.040 1.00 0.00 C ATOM 1020 CZ2 TRP A 69 7.028 -12.015 5.200 1.00 0.00 C ATOM 1021 CZ3 TRP A 69 7.244 -10.595 3.262 1.00 0.00 C ATOM 1022 CH2 TRP A 69 6.997 -11.843 3.844 1.00 0.00 C ATOM 0 H TRP A 69 10.064 -5.355 6.392 1.00 0.00 H new ATOM 0 HA TRP A 69 8.369 -6.668 8.453 1.00 0.00 H new ATOM 0 HB2 TRP A 69 7.258 -6.714 6.321 1.00 0.00 H new ATOM 0 HB3 TRP A 69 8.738 -7.125 5.477 1.00 0.00 H new ATOM 0 HD1 TRP A 69 7.830 -9.095 8.658 1.00 0.00 H new ATOM 0 HE1 TRP A 69 7.287 -11.539 8.016 1.00 0.00 H new ATOM 0 HE3 TRP A 69 7.734 -8.532 3.583 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.835 -12.979 5.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 7.205 -10.493 2.188 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.777 -12.688 3.209 1.00 0.00 H new ATOM 1033 N THR A 70 10.278 -7.992 9.193 1.00 0.00 N ATOM 1034 CA THR A 70 11.327 -8.880 9.667 1.00 0.00 C ATOM 1035 C THR A 70 10.970 -10.335 9.360 1.00 0.00 C ATOM 1036 O THR A 70 10.068 -10.901 9.984 1.00 0.00 O ATOM 1037 CB THR A 70 11.536 -8.717 11.187 1.00 0.00 C ATOM 1038 OG1 THR A 70 11.557 -7.323 11.534 1.00 0.00 O ATOM 1039 CG2 THR A 70 12.838 -9.368 11.629 1.00 0.00 C ATOM 0 H THR A 70 9.632 -7.682 9.919 1.00 0.00 H new ATOM 0 HA THR A 70 12.250 -8.615 9.151 1.00 0.00 H new ATOM 0 HB THR A 70 10.708 -9.209 11.697 1.00 0.00 H new ATOM 0 HG1 THR A 70 11.688 -7.228 12.501 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.962 -9.239 12.704 1.00 0.00 H new ATOM 0 HG22 THR A 70 12.812 -10.431 11.391 1.00 0.00 H new ATOM 0 HG23 THR A 70 13.674 -8.900 11.109 1.00 0.00 H new ATOM 1047 N LEU A 71 11.665 -10.936 8.400 1.00 0.00 N ATOM 1048 CA LEU A 71 11.379 -12.312 8.004 1.00 0.00 C ATOM 1049 C LEU A 71 11.772 -13.291 9.103 1.00 0.00 C ATOM 1050 O LEU A 71 12.946 -13.414 9.451 1.00 0.00 O ATOM 1051 CB LEU A 71 12.115 -12.672 6.711 1.00 0.00 C ATOM 1052 CG LEU A 71 11.226 -13.232 5.598 1.00 0.00 C ATOM 1053 CD1 LEU A 71 10.473 -14.465 6.065 1.00 0.00 C ATOM 1054 CD2 LEU A 71 10.266 -12.169 5.118 1.00 0.00 C ATOM 0 H LEU A 71 12.426 -10.496 7.884 1.00 0.00 H new ATOM 0 HA LEU A 71 10.305 -12.386 7.834 1.00 0.00 H new ATOM 0 HB2 LEU A 71 12.621 -11.782 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 71 12.888 -13.405 6.942 1.00 0.00 H new ATOM 0 HG LEU A 71 11.864 -13.531 4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 71 9.850 -14.840 5.253 1.00 0.00 H new ATOM 0 HD12 LEU A 71 11.185 -15.235 6.362 1.00 0.00 H new ATOM 0 HD13 LEU A 71 9.843 -14.206 6.916 1.00 0.00 H new ATOM 0 HD21 LEU A 71 9.638 -12.577 4.326 1.00 0.00 H new ATOM 0 HD22 LEU A 71 9.639 -11.844 5.948 1.00 0.00 H new ATOM 0 HD23 LEU A 71 10.828 -11.318 4.733 1.00 0.00 H new ATOM 1066 N ASP A 72 10.778 -13.980 9.647 1.00 0.00 N ATOM 1067 CA ASP A 72 11.022 -14.998 10.663 1.00 0.00 C ATOM 1068 C ASP A 72 11.371 -16.332 10.012 1.00 0.00 C ATOM 1069 O ASP A 72 12.198 -17.086 10.527 1.00 0.00 O ATOM 1070 CB ASP A 72 9.812 -15.155 11.599 1.00 0.00 C ATOM 1071 CG ASP A 72 8.490 -15.300 10.867 1.00 0.00 C ATOM 1072 OD1 ASP A 72 8.299 -16.298 10.149 1.00 0.00 O ATOM 1073 OD2 ASP A 72 7.630 -14.410 11.018 1.00 0.00 O ATOM 0 H ASP A 72 9.796 -13.854 9.403 1.00 0.00 H new ATOM 0 HA ASP A 72 11.870 -14.672 11.265 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.964 -16.029 12.232 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.759 -14.289 12.259 1.00 0.00 H new ATOM 1078 N GLY A 73 10.745 -16.616 8.877 1.00 0.00 N ATOM 1079 CA GLY A 73 11.041 -17.831 8.146 1.00 0.00 C ATOM 1080 C GLY A 73 10.161 -18.993 8.563 1.00 0.00 C ATOM 1081 O GLY A 73 10.613 -20.137 8.604 1.00 0.00 O ATOM 0 H GLY A 73 10.034 -16.023 8.449 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.914 -17.649 7.079 1.00 0.00 H new ATOM 0 HA3 GLY A 73 12.086 -18.098 8.301 1.00 0.00 H new ATOM 1085 N THR A 74 8.911 -18.701 8.891 1.00 0.00 N ATOM 1086 CA THR A 74 7.957 -19.740 9.251 1.00 0.00 C ATOM 1087 C THR A 74 7.404 -20.422 8.004 1.00 0.00 C ATOM 1088 O THR A 74 7.220 -21.641 7.975 1.00 0.00 O ATOM 1089 CB THR A 74 6.784 -19.164 10.072 1.00 0.00 C ATOM 1090 OG1 THR A 74 7.287 -18.398 11.170 1.00 0.00 O ATOM 1091 CG2 THR A 74 5.883 -20.271 10.601 1.00 0.00 C ATOM 0 H THR A 74 8.534 -17.754 8.915 1.00 0.00 H new ATOM 0 HA THR A 74 8.490 -20.470 9.859 1.00 0.00 H new ATOM 0 HB THR A 74 6.196 -18.525 9.413 1.00 0.00 H new ATOM 0 HG1 THR A 74 7.547 -17.507 10.855 1.00 0.00 H new ATOM 0 HG21 THR A 74 5.067 -19.833 11.175 1.00 0.00 H new ATOM 0 HG22 THR A 74 5.475 -20.839 9.765 1.00 0.00 H new ATOM 0 HG23 THR A 74 6.462 -20.936 11.243 1.00 0.00 H new ATOM 1099 N ALA A 75 7.164 -19.636 6.965 1.00 0.00 N ATOM 1100 CA ALA A 75 6.526 -20.145 5.764 1.00 0.00 C ATOM 1101 C ALA A 75 7.352 -19.839 4.522 1.00 0.00 C ATOM 1102 O ALA A 75 8.214 -18.962 4.539 1.00 0.00 O ATOM 1103 CB ALA A 75 5.130 -19.556 5.630 1.00 0.00 C ATOM 0 H ALA A 75 7.402 -18.645 6.931 1.00 0.00 H new ATOM 0 HA ALA A 75 6.452 -21.229 5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.657 -19.942 4.727 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.533 -19.833 6.499 1.00 0.00 H new ATOM 0 HB3 ALA A 75 5.198 -18.470 5.568 1.00 0.00 H new ATOM 1109 N ASN A 76 7.080 -20.571 3.450 1.00 0.00 N ATOM 1110 CA ASN A 76 7.763 -20.363 2.178 1.00 0.00 C ATOM 1111 C ASN A 76 6.995 -19.370 1.318 1.00 0.00 C ATOM 1112 O ASN A 76 7.498 -18.883 0.305 1.00 0.00 O ATOM 1113 CB ASN A 76 7.919 -21.691 1.431 1.00 0.00 C ATOM 1114 CG ASN A 76 8.863 -22.644 2.137 1.00 0.00 C ATOM 1115 OD1 ASN A 76 10.070 -22.637 1.891 1.00 0.00 O ATOM 1116 ND2 ASN A 76 8.324 -23.470 3.020 1.00 0.00 N ATOM 0 H ASN A 76 6.387 -21.319 3.436 1.00 0.00 H new ATOM 0 HA ASN A 76 8.753 -19.957 2.384 1.00 0.00 H new ATOM 0 HB2 ASN A 76 6.942 -22.163 1.326 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.289 -21.497 0.424 1.00 0.00 H new ATOM 0 HD21 ASN A 76 8.913 -24.132 3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 76 7.320 -23.444 3.195 1.00 0.00 H new ATOM 1123 N SER A 77 5.774 -19.073 1.729 1.00 0.00 N ATOM 1124 CA SER A 77 4.948 -18.104 1.033 1.00 0.00 C ATOM 1125 C SER A 77 4.048 -17.366 2.021 1.00 0.00 C ATOM 1126 O SER A 77 3.494 -17.972 2.944 1.00 0.00 O ATOM 1127 CB SER A 77 4.118 -18.799 -0.053 1.00 0.00 C ATOM 1128 OG SER A 77 3.405 -19.909 0.469 1.00 0.00 O ATOM 0 H SER A 77 5.331 -19.493 2.547 1.00 0.00 H new ATOM 0 HA SER A 77 5.594 -17.370 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 77 3.417 -18.087 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 77 4.774 -19.132 -0.857 1.00 0.00 H new ATOM 0 HG SER A 77 2.885 -20.330 -0.247 1.00 0.00 H new ATOM 1134 N TYR A 78 3.927 -16.059 1.837 1.00 0.00 N ATOM 1135 CA TYR A 78 3.133 -15.218 2.723 1.00 0.00 C ATOM 1136 C TYR A 78 2.110 -14.425 1.917 1.00 0.00 C ATOM 1137 O TYR A 78 2.440 -13.843 0.884 1.00 0.00 O ATOM 1138 CB TYR A 78 4.031 -14.242 3.494 1.00 0.00 C ATOM 1139 CG TYR A 78 4.933 -14.880 4.534 1.00 0.00 C ATOM 1140 CD1 TYR A 78 6.053 -15.614 4.164 1.00 0.00 C ATOM 1141 CD2 TYR A 78 4.671 -14.723 5.890 1.00 0.00 C ATOM 1142 CE1 TYR A 78 6.884 -16.175 5.115 1.00 0.00 C ATOM 1143 CE2 TYR A 78 5.498 -15.283 6.846 1.00 0.00 C ATOM 1144 CZ TYR A 78 6.602 -16.009 6.453 1.00 0.00 C ATOM 1145 OH TYR A 78 7.433 -16.559 7.403 1.00 0.00 O ATOM 0 H TYR A 78 4.374 -15.553 1.073 1.00 0.00 H new ATOM 0 HA TYR A 78 2.619 -15.866 3.433 1.00 0.00 H new ATOM 0 HB2 TYR A 78 4.652 -13.702 2.779 1.00 0.00 H new ATOM 0 HB3 TYR A 78 3.399 -13.504 3.988 1.00 0.00 H new ATOM 0 HD1 TYR A 78 6.278 -15.748 3.116 1.00 0.00 H new ATOM 0 HD2 TYR A 78 3.807 -14.154 6.202 1.00 0.00 H new ATOM 0 HE1 TYR A 78 7.751 -16.742 4.810 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.280 -15.152 7.896 1.00 0.00 H new ATOM 0 HH TYR A 78 7.361 -16.048 8.236 1.00 0.00 H new ATOM 1155 N THR A 79 0.877 -14.397 2.386 1.00 0.00 N ATOM 1156 CA THR A 79 -0.165 -13.640 1.716 1.00 0.00 C ATOM 1157 C THR A 79 -0.206 -12.214 2.257 1.00 0.00 C ATOM 1158 O THR A 79 -0.848 -11.940 3.274 1.00 0.00 O ATOM 1159 CB THR A 79 -1.546 -14.307 1.890 1.00 0.00 C ATOM 1160 OG1 THR A 79 -1.459 -15.700 1.551 1.00 0.00 O ATOM 1161 CG2 THR A 79 -2.592 -13.633 1.012 1.00 0.00 C ATOM 0 H THR A 79 0.572 -14.888 3.226 1.00 0.00 H new ATOM 0 HA THR A 79 0.069 -13.618 0.652 1.00 0.00 H new ATOM 0 HB THR A 79 -1.848 -14.200 2.932 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.337 -16.120 1.665 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.556 -14.122 1.154 1.00 0.00 H new ATOM 0 HG22 THR A 79 -2.675 -12.581 1.287 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.295 -13.712 -0.034 1.00 0.00 H new ATOM 1169 N LEU A 80 0.512 -11.317 1.596 1.00 0.00 N ATOM 1170 CA LEU A 80 0.568 -9.926 2.015 1.00 0.00 C ATOM 1171 C LEU A 80 -0.557 -9.131 1.379 1.00 0.00 C ATOM 1172 O LEU A 80 -0.880 -9.311 0.208 1.00 0.00 O ATOM 1173 CB LEU A 80 1.924 -9.304 1.671 1.00 0.00 C ATOM 1174 CG LEU A 80 2.980 -9.381 2.779 1.00 0.00 C ATOM 1175 CD1 LEU A 80 3.258 -10.822 3.172 1.00 0.00 C ATOM 1176 CD2 LEU A 80 4.261 -8.693 2.336 1.00 0.00 C ATOM 0 H LEU A 80 1.065 -11.530 0.766 1.00 0.00 H new ATOM 0 HA LEU A 80 0.445 -9.895 3.098 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.317 -9.798 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.769 -8.257 1.411 1.00 0.00 H new ATOM 0 HG LEU A 80 2.589 -8.864 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.011 -10.845 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.340 -11.284 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.623 -11.372 2.305 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.002 -8.756 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.647 -9.183 1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.054 -7.646 2.115 1.00 0.00 H new ATOM 1188 N THR A 81 -1.169 -8.273 2.166 1.00 0.00 N ATOM 1189 CA THR A 81 -2.266 -7.458 1.699 1.00 0.00 C ATOM 1190 C THR A 81 -2.050 -6.002 2.089 1.00 0.00 C ATOM 1191 O THR A 81 -2.015 -5.667 3.271 1.00 0.00 O ATOM 1192 CB THR A 81 -3.601 -7.956 2.286 1.00 0.00 C ATOM 1193 OG1 THR A 81 -3.714 -9.373 2.098 1.00 0.00 O ATOM 1194 CG2 THR A 81 -4.780 -7.261 1.626 1.00 0.00 C ATOM 0 H THR A 81 -0.920 -8.122 3.144 1.00 0.00 H new ATOM 0 HA THR A 81 -2.306 -7.536 0.613 1.00 0.00 H new ATOM 0 HB THR A 81 -3.614 -7.722 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 81 -4.563 -9.686 2.474 1.00 0.00 H new ATOM 0 HG21 THR A 81 -5.709 -7.631 2.059 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.706 -6.186 1.789 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.771 -7.467 0.556 1.00 0.00 H new ATOM 1202 N VAL A 82 -1.870 -5.147 1.098 1.00 0.00 N ATOM 1203 CA VAL A 82 -1.760 -3.721 1.345 1.00 0.00 C ATOM 1204 C VAL A 82 -3.149 -3.103 1.327 1.00 0.00 C ATOM 1205 O VAL A 82 -3.763 -2.973 0.266 1.00 0.00 O ATOM 1206 CB VAL A 82 -0.869 -3.014 0.298 1.00 0.00 C ATOM 1207 CG1 VAL A 82 -0.775 -1.523 0.589 1.00 0.00 C ATOM 1208 CG2 VAL A 82 0.517 -3.634 0.260 1.00 0.00 C ATOM 0 H VAL A 82 -1.797 -5.415 0.117 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.291 -3.586 2.320 1.00 0.00 H new ATOM 0 HB VAL A 82 -1.331 -3.146 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -0.143 -1.045 -0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.772 -1.083 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -0.343 -1.372 1.578 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.125 -3.120 -0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.985 -3.539 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.437 -4.689 -0.003 1.00 0.00 H new ATOM 1218 N ASN A 83 -3.663 -2.770 2.499 1.00 0.00 N ATOM 1219 CA ASN A 83 -4.986 -2.176 2.596 1.00 0.00 C ATOM 1220 C ASN A 83 -4.877 -0.659 2.628 1.00 0.00 C ATOM 1221 O ASN A 83 -4.375 -0.078 3.594 1.00 0.00 O ATOM 1222 CB ASN A 83 -5.716 -2.690 3.838 1.00 0.00 C ATOM 1223 CG ASN A 83 -7.186 -2.316 3.847 1.00 0.00 C ATOM 1224 OD1 ASN A 83 -7.797 -2.122 2.797 1.00 0.00 O ATOM 1225 ND2 ASN A 83 -7.766 -2.234 5.031 1.00 0.00 N ATOM 0 H ASN A 83 -3.188 -2.900 3.392 1.00 0.00 H new ATOM 0 HA ASN A 83 -5.564 -2.465 1.718 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.621 -3.775 3.888 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -5.237 -2.286 4.730 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -8.757 -2.002 5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -7.223 -2.402 5.878 1.00 0.00 H new ATOM 1232 N VAL A 84 -5.320 -0.031 1.551 1.00 0.00 N ATOM 1233 CA VAL A 84 -5.238 1.411 1.412 1.00 0.00 C ATOM 1234 C VAL A 84 -6.403 2.102 2.108 1.00 0.00 C ATOM 1235 O VAL A 84 -7.563 1.944 1.722 1.00 0.00 O ATOM 1236 CB VAL A 84 -5.186 1.836 -0.070 1.00 0.00 C ATOM 1237 CG1 VAL A 84 -5.225 3.349 -0.204 1.00 0.00 C ATOM 1238 CG2 VAL A 84 -3.940 1.281 -0.738 1.00 0.00 C ATOM 0 H VAL A 84 -5.744 -0.505 0.753 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.310 1.722 1.892 1.00 0.00 H new ATOM 0 HB VAL A 84 -6.064 1.427 -0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.187 3.622 -1.259 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -6.147 3.730 0.236 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -4.369 3.782 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.919 1.590 -1.783 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.054 1.661 -0.229 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.951 0.193 -0.682 1.00 0.00 H new ATOM 1248 N ASP A 85 -6.052 2.849 3.142 1.00 0.00 N ATOM 1249 CA ASP A 85 -6.982 3.645 3.938 1.00 0.00 C ATOM 1250 C ASP A 85 -8.076 2.789 4.568 1.00 0.00 C ATOM 1251 O ASP A 85 -9.231 2.809 4.139 1.00 0.00 O ATOM 1252 CB ASP A 85 -7.585 4.785 3.116 1.00 0.00 C ATOM 1253 CG ASP A 85 -8.366 5.753 3.980 1.00 0.00 C ATOM 1254 OD1 ASP A 85 -8.051 5.867 5.188 1.00 0.00 O ATOM 1255 OD2 ASP A 85 -9.301 6.393 3.467 1.00 0.00 O ATOM 0 H ASP A 85 -5.086 2.923 3.462 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.405 4.084 4.752 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.789 5.321 2.600 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.241 4.372 2.349 1.00 0.00 H new ATOM 1260 N PRO A 86 -7.720 2.013 5.607 1.00 0.00 N ATOM 1261 CA PRO A 86 -8.679 1.204 6.354 1.00 0.00 C ATOM 1262 C PRO A 86 -9.540 2.071 7.260 1.00 0.00 C ATOM 1263 O PRO A 86 -10.610 1.661 7.708 1.00 0.00 O ATOM 1264 CB PRO A 86 -7.801 0.263 7.197 1.00 0.00 C ATOM 1265 CG PRO A 86 -6.399 0.474 6.720 1.00 0.00 C ATOM 1266 CD PRO A 86 -6.361 1.851 6.130 1.00 0.00 C ATOM 0 HA PRO A 86 -9.367 0.671 5.697 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.891 0.492 8.259 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.105 -0.776 7.068 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -5.690 0.383 7.543 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -6.123 -0.275 5.978 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.122 2.606 6.879 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -5.611 1.934 5.343 1.00 0.00 H new ATOM 1274 N GLU A 87 -9.064 3.284 7.513 1.00 0.00 N ATOM 1275 CA GLU A 87 -9.747 4.208 8.401 1.00 0.00 C ATOM 1276 C GLU A 87 -10.773 5.028 7.627 1.00 0.00 C ATOM 1277 O GLU A 87 -11.629 5.686 8.221 1.00 0.00 O ATOM 1278 CB GLU A 87 -8.729 5.120 9.094 1.00 0.00 C ATOM 1279 CG GLU A 87 -7.674 4.351 9.876 1.00 0.00 C ATOM 1280 CD GLU A 87 -6.711 5.252 10.627 1.00 0.00 C ATOM 1281 OE1 GLU A 87 -7.042 5.669 11.758 1.00 0.00 O ATOM 1282 OE2 GLU A 87 -5.609 5.526 10.106 1.00 0.00 O ATOM 0 H GLU A 87 -8.201 3.650 7.111 1.00 0.00 H new ATOM 0 HA GLU A 87 -10.276 3.639 9.165 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -8.237 5.741 8.345 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.255 5.794 9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.169 3.688 10.585 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.110 3.720 9.189 1.00 0.00 H new ATOM 1289 N ASN A 88 -10.679 4.968 6.296 1.00 0.00 N ATOM 1290 CA ASN A 88 -11.618 5.655 5.405 1.00 0.00 C ATOM 1291 C ASN A 88 -11.550 7.165 5.592 1.00 0.00 C ATOM 1292 O ASN A 88 -12.576 7.847 5.663 1.00 0.00 O ATOM 1293 CB ASN A 88 -13.051 5.149 5.614 1.00 0.00 C ATOM 1294 CG ASN A 88 -13.444 4.058 4.631 1.00 0.00 C ATOM 1295 OD1 ASN A 88 -14.619 3.904 4.299 1.00 0.00 O ATOM 1296 ND2 ASN A 88 -12.469 3.304 4.140 1.00 0.00 N ATOM 0 H ASN A 88 -9.953 4.444 5.807 1.00 0.00 H new ATOM 0 HA ASN A 88 -11.324 5.427 4.380 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.152 4.768 6.630 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.744 5.985 5.517 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -12.683 2.569 3.465 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -11.506 3.459 4.437 1.00 0.00 H new ATOM 1303 N ALA A 89 -10.334 7.681 5.646 1.00 0.00 N ATOM 1304 CA ALA A 89 -10.113 9.107 5.786 1.00 0.00 C ATOM 1305 C ALA A 89 -10.343 9.811 4.455 1.00 0.00 C ATOM 1306 O ALA A 89 -10.618 11.013 4.413 1.00 0.00 O ATOM 1307 CB ALA A 89 -8.707 9.379 6.297 1.00 0.00 C ATOM 0 H ALA A 89 -9.479 7.127 5.594 1.00 0.00 H new ATOM 0 HA ALA A 89 -10.825 9.499 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -8.558 10.454 6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -8.575 8.903 7.269 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -7.979 8.975 5.593 1.00 0.00 H new ATOM 1313 N VAL A 90 -10.228 9.057 3.366 1.00 0.00 N ATOM 1314 CA VAL A 90 -10.461 9.594 2.033 1.00 0.00 C ATOM 1315 C VAL A 90 -11.616 8.849 1.365 1.00 0.00 C ATOM 1316 O VAL A 90 -11.790 7.648 1.565 1.00 0.00 O ATOM 1317 CB VAL A 90 -9.196 9.491 1.147 1.00 0.00 C ATOM 1318 CG1 VAL A 90 -9.367 10.292 -0.135 1.00 0.00 C ATOM 1319 CG2 VAL A 90 -7.962 9.957 1.904 1.00 0.00 C ATOM 0 H VAL A 90 -9.974 8.069 3.383 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.714 10.649 2.140 1.00 0.00 H new ATOM 0 HB VAL A 90 -9.058 8.443 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.466 10.205 -0.742 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.219 9.906 -0.694 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -9.539 11.340 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -7.087 9.875 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.092 10.996 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -7.821 9.335 2.788 1.00 0.00 H new ATOM 1329 N ASN A 91 -12.424 9.569 0.598 1.00 0.00 N ATOM 1330 CA ASN A 91 -13.541 8.958 -0.113 1.00 0.00 C ATOM 1331 C ASN A 91 -13.076 8.489 -1.485 1.00 0.00 C ATOM 1332 O ASN A 91 -12.861 9.298 -2.388 1.00 0.00 O ATOM 1333 CB ASN A 91 -14.703 9.952 -0.239 1.00 0.00 C ATOM 1334 CG ASN A 91 -15.984 9.315 -0.759 1.00 0.00 C ATOM 1335 OD1 ASN A 91 -15.964 8.420 -1.601 1.00 0.00 O ATOM 1336 ND2 ASN A 91 -17.116 9.765 -0.241 1.00 0.00 N ATOM 0 H ASN A 91 -12.328 10.574 0.452 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.898 8.096 0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -14.897 10.399 0.736 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -14.410 10.761 -0.908 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -18.007 9.367 -0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -17.097 10.509 0.456 1.00 0.00 H new ATOM 1343 N GLU A 92 -12.913 7.182 -1.626 1.00 0.00 N ATOM 1344 CA GLU A 92 -12.361 6.604 -2.842 1.00 0.00 C ATOM 1345 C GLU A 92 -13.437 6.073 -3.777 1.00 0.00 C ATOM 1346 O GLU A 92 -14.498 5.630 -3.335 1.00 0.00 O ATOM 1347 CB GLU A 92 -11.392 5.481 -2.492 1.00 0.00 C ATOM 1348 CG GLU A 92 -10.106 5.981 -1.869 1.00 0.00 C ATOM 1349 CD GLU A 92 -9.416 6.987 -2.760 1.00 0.00 C ATOM 1350 OE1 GLU A 92 -9.020 6.608 -3.875 1.00 0.00 O ATOM 1351 OE2 GLU A 92 -9.290 8.158 -2.359 1.00 0.00 O ATOM 0 H GLU A 92 -13.157 6.499 -0.909 1.00 0.00 H new ATOM 0 HA GLU A 92 -11.837 7.404 -3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -11.878 4.791 -1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.157 4.917 -3.395 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -10.321 6.436 -0.902 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -9.439 5.139 -1.683 1.00 0.00 H new ATOM 1358 N GLY A 93 -13.153 6.171 -5.073 1.00 0.00 N ATOM 1359 CA GLY A 93 -14.005 5.604 -6.104 1.00 0.00 C ATOM 1360 C GLY A 93 -14.217 4.109 -5.949 1.00 0.00 C ATOM 1361 O GLY A 93 -15.055 3.656 -5.170 1.00 0.00 O ATOM 0 H GLY A 93 -12.326 6.646 -5.434 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -14.972 6.106 -6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.564 5.803 -7.081 1.00 0.00 H new ATOM 1365 N ASN A 94 -13.488 3.339 -6.745 1.00 0.00 N ATOM 1366 CA ASN A 94 -13.585 1.884 -6.713 1.00 0.00 C ATOM 1367 C ASN A 94 -12.910 1.310 -5.474 1.00 0.00 C ATOM 1368 O ASN A 94 -11.684 1.264 -5.386 1.00 0.00 O ATOM 1369 CB ASN A 94 -12.959 1.279 -7.973 1.00 0.00 C ATOM 1370 CG ASN A 94 -13.804 1.512 -9.208 1.00 0.00 C ATOM 1371 OD1 ASN A 94 -15.033 1.555 -9.132 1.00 0.00 O ATOM 1372 ND2 ASN A 94 -13.156 1.661 -10.351 1.00 0.00 N ATOM 0 H ASN A 94 -12.819 3.699 -7.425 1.00 0.00 H new ATOM 0 HA ASN A 94 -14.643 1.624 -6.677 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -11.970 1.710 -8.127 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -12.821 0.208 -7.828 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -13.675 1.819 -11.215 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -12.137 1.618 -10.369 1.00 0.00 H new ATOM 1379 N GLU A 95 -13.720 0.852 -4.520 1.00 0.00 N ATOM 1380 CA GLU A 95 -13.200 0.265 -3.287 1.00 0.00 C ATOM 1381 C GLU A 95 -12.510 -1.069 -3.562 1.00 0.00 C ATOM 1382 O GLU A 95 -11.812 -1.609 -2.704 1.00 0.00 O ATOM 1383 CB GLU A 95 -14.319 0.073 -2.264 1.00 0.00 C ATOM 1384 CG GLU A 95 -14.968 1.372 -1.817 1.00 0.00 C ATOM 1385 CD GLU A 95 -15.918 1.170 -0.656 1.00 0.00 C ATOM 1386 OE1 GLU A 95 -15.462 1.224 0.507 1.00 0.00 O ATOM 1387 OE2 GLU A 95 -17.121 0.940 -0.896 1.00 0.00 O ATOM 0 H GLU A 95 -14.738 0.876 -4.578 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.464 0.956 -2.877 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -15.083 -0.576 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -13.917 -0.441 -1.391 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -14.193 2.083 -1.530 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -15.510 1.812 -2.654 1.00 0.00 H new ATOM 1394 N SER A 96 -12.698 -1.584 -4.769 1.00 0.00 N ATOM 1395 CA SER A 96 -12.066 -2.828 -5.187 1.00 0.00 C ATOM 1396 C SER A 96 -10.563 -2.637 -5.385 1.00 0.00 C ATOM 1397 O SER A 96 -9.828 -3.600 -5.607 1.00 0.00 O ATOM 1398 CB SER A 96 -12.702 -3.315 -6.490 1.00 0.00 C ATOM 1399 OG SER A 96 -14.117 -3.280 -6.409 1.00 0.00 O ATOM 0 H SER A 96 -13.288 -1.155 -5.482 1.00 0.00 H new ATOM 0 HA SER A 96 -12.217 -3.572 -4.405 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.366 -2.691 -7.318 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.371 -4.332 -6.702 1.00 0.00 H new ATOM 0 HG SER A 96 -14.501 -3.594 -7.254 1.00 0.00 H new ATOM 1405 N ASN A 97 -10.119 -1.390 -5.311 1.00 0.00 N ATOM 1406 CA ASN A 97 -8.715 -1.063 -5.509 1.00 0.00 C ATOM 1407 C ASN A 97 -7.991 -0.931 -4.181 1.00 0.00 C ATOM 1408 O ASN A 97 -6.777 -1.078 -4.122 1.00 0.00 O ATOM 1409 CB ASN A 97 -8.572 0.245 -6.289 1.00 0.00 C ATOM 1410 CG ASN A 97 -9.124 0.154 -7.696 1.00 0.00 C ATOM 1411 OD1 ASN A 97 -9.111 -0.907 -8.319 1.00 0.00 O ATOM 1412 ND2 ASN A 97 -9.615 1.267 -8.211 1.00 0.00 N ATOM 0 H ASN A 97 -10.714 -0.585 -5.114 1.00 0.00 H new ATOM 0 HA ASN A 97 -8.267 -1.878 -6.078 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.088 1.041 -5.752 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -7.519 0.522 -6.334 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -10.000 1.265 -9.155 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.609 2.128 -7.664 1.00 0.00 H new ATOM 1419 N ASN A 98 -8.745 -0.679 -3.113 1.00 0.00 N ATOM 1420 CA ASN A 98 -8.160 -0.365 -1.810 1.00 0.00 C ATOM 1421 C ASN A 98 -7.263 -1.485 -1.293 1.00 0.00 C ATOM 1422 O ASN A 98 -6.254 -1.223 -0.648 1.00 0.00 O ATOM 1423 CB ASN A 98 -9.254 -0.059 -0.781 1.00 0.00 C ATOM 1424 CG ASN A 98 -9.923 1.282 -1.021 1.00 0.00 C ATOM 1425 OD1 ASN A 98 -10.879 1.382 -1.786 1.00 0.00 O ATOM 1426 ND2 ASN A 98 -9.440 2.317 -0.350 1.00 0.00 N ATOM 0 H ASN A 98 -9.765 -0.686 -3.124 1.00 0.00 H new ATOM 0 HA ASN A 98 -7.539 0.520 -1.951 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.007 -0.847 -0.811 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.820 -0.071 0.219 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -9.864 3.238 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -8.644 2.193 0.276 1.00 0.00 H new ATOM 1433 N THR A 99 -7.615 -2.726 -1.574 1.00 0.00 N ATOM 1434 CA THR A 99 -6.833 -3.842 -1.080 1.00 0.00 C ATOM 1435 C THR A 99 -5.959 -4.454 -2.169 1.00 0.00 C ATOM 1436 O THR A 99 -6.442 -4.842 -3.233 1.00 0.00 O ATOM 1437 CB THR A 99 -7.729 -4.930 -0.477 1.00 0.00 C ATOM 1438 OG1 THR A 99 -9.107 -4.642 -0.759 1.00 0.00 O ATOM 1439 CG2 THR A 99 -7.524 -5.030 1.026 1.00 0.00 C ATOM 0 H THR A 99 -8.427 -2.984 -2.135 1.00 0.00 H new ATOM 0 HA THR A 99 -6.185 -3.440 -0.301 1.00 0.00 H new ATOM 0 HB THR A 99 -7.457 -5.884 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.673 -5.342 -0.372 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.171 -5.809 1.430 1.00 0.00 H new ATOM 0 HG22 THR A 99 -6.483 -5.277 1.236 1.00 0.00 H new ATOM 0 HG23 THR A 99 -7.771 -4.076 1.491 1.00 0.00 H new ATOM 1447 N LEU A 100 -4.669 -4.527 -1.888 1.00 0.00 N ATOM 1448 CA LEU A 100 -3.713 -5.174 -2.777 1.00 0.00 C ATOM 1449 C LEU A 100 -3.274 -6.496 -2.169 1.00 0.00 C ATOM 1450 O LEU A 100 -2.414 -6.529 -1.285 1.00 0.00 O ATOM 1451 CB LEU A 100 -2.484 -4.285 -3.014 1.00 0.00 C ATOM 1452 CG LEU A 100 -1.356 -4.928 -3.825 1.00 0.00 C ATOM 1453 CD1 LEU A 100 -1.740 -5.052 -5.289 1.00 0.00 C ATOM 1454 CD2 LEU A 100 -0.074 -4.132 -3.670 1.00 0.00 C ATOM 0 H LEU A 100 -4.254 -4.141 -1.040 1.00 0.00 H new ATOM 0 HA LEU A 100 -4.199 -5.346 -3.737 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -2.806 -3.378 -3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -2.085 -3.980 -2.047 1.00 0.00 H new ATOM 0 HG LEU A 100 -1.188 -5.933 -3.438 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -0.921 -5.512 -5.842 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -2.632 -5.671 -5.380 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -1.943 -4.062 -5.697 1.00 0.00 H new ATOM 0 HD21 LEU A 100 0.719 -4.602 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -0.232 -3.114 -4.027 1.00 0.00 H new ATOM 0 HD23 LEU A 100 0.214 -4.107 -2.619 1.00 0.00 H new ATOM 1466 N THR A 101 -3.885 -7.575 -2.616 1.00 0.00 N ATOM 1467 CA THR A 101 -3.558 -8.893 -2.107 1.00 0.00 C ATOM 1468 C THR A 101 -2.457 -9.524 -2.954 1.00 0.00 C ATOM 1469 O THR A 101 -2.717 -10.111 -4.005 1.00 0.00 O ATOM 1470 CB THR A 101 -4.800 -9.807 -2.082 1.00 0.00 C ATOM 1471 OG1 THR A 101 -5.892 -9.124 -1.442 1.00 0.00 O ATOM 1472 CG2 THR A 101 -4.506 -11.101 -1.334 1.00 0.00 C ATOM 0 H THR A 101 -4.612 -7.565 -3.332 1.00 0.00 H new ATOM 0 HA THR A 101 -3.202 -8.781 -1.083 1.00 0.00 H new ATOM 0 HB THR A 101 -5.067 -10.051 -3.110 1.00 0.00 H new ATOM 0 HG1 THR A 101 -6.680 -9.707 -1.429 1.00 0.00 H new ATOM 0 HG21 THR A 101 -5.397 -11.729 -1.330 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.691 -11.630 -1.828 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.219 -10.871 -0.308 1.00 0.00 H new ATOM 1480 N ALA A 102 -1.223 -9.363 -2.507 1.00 0.00 N ATOM 1481 CA ALA A 102 -0.077 -9.888 -3.222 1.00 0.00 C ATOM 1482 C ALA A 102 0.575 -11.004 -2.422 1.00 0.00 C ATOM 1483 O ALA A 102 1.132 -10.775 -1.347 1.00 0.00 O ATOM 1484 CB ALA A 102 0.921 -8.777 -3.513 1.00 0.00 C ATOM 0 H ALA A 102 -0.991 -8.869 -1.646 1.00 0.00 H new ATOM 0 HA ALA A 102 -0.415 -10.299 -4.173 1.00 0.00 H new ATOM 0 HB1 ALA A 102 1.776 -9.187 -4.050 1.00 0.00 H new ATOM 0 HB2 ALA A 102 0.444 -8.010 -4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 102 1.259 -8.337 -2.575 1.00 0.00 H new ATOM 1490 N LEU A 103 0.484 -12.213 -2.939 1.00 0.00 N ATOM 1491 CA LEU A 103 1.070 -13.361 -2.277 1.00 0.00 C ATOM 1492 C LEU A 103 2.558 -13.401 -2.594 1.00 0.00 C ATOM 1493 O LEU A 103 2.960 -13.751 -3.705 1.00 0.00 O ATOM 1494 CB LEU A 103 0.366 -14.647 -2.732 1.00 0.00 C ATOM 1495 CG LEU A 103 0.561 -15.878 -1.835 1.00 0.00 C ATOM 1496 CD1 LEU A 103 -0.471 -16.940 -2.174 1.00 0.00 C ATOM 1497 CD2 LEU A 103 1.960 -16.456 -1.986 1.00 0.00 C ATOM 0 H LEU A 103 0.009 -12.426 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 103 0.941 -13.280 -1.198 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -0.702 -14.444 -2.809 1.00 0.00 H new ATOM 0 HB3 LEU A 103 0.717 -14.894 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 103 0.432 -15.561 -0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -0.324 -17.809 -1.532 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.472 -16.538 -2.017 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.359 -17.236 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 103 2.066 -17.326 -1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 103 2.121 -16.753 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.697 -15.703 -1.706 1.00 0.00 H new ATOM 1509 N VAL A 104 3.366 -13.014 -1.625 1.00 0.00 N ATOM 1510 CA VAL A 104 4.802 -12.960 -1.812 1.00 0.00 C ATOM 1511 C VAL A 104 5.429 -14.263 -1.339 1.00 0.00 C ATOM 1512 O VAL A 104 4.908 -14.923 -0.439 1.00 0.00 O ATOM 1513 CB VAL A 104 5.432 -11.759 -1.065 1.00 0.00 C ATOM 1514 CG1 VAL A 104 4.773 -10.454 -1.491 1.00 0.00 C ATOM 1515 CG2 VAL A 104 5.334 -11.931 0.443 1.00 0.00 C ATOM 0 H VAL A 104 3.050 -12.732 -0.697 1.00 0.00 H new ATOM 0 HA VAL A 104 5.000 -12.824 -2.875 1.00 0.00 H new ATOM 0 HB VAL A 104 6.488 -11.722 -1.333 1.00 0.00 H new ATOM 0 HG11 VAL A 104 5.231 -9.623 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 104 4.908 -10.311 -2.563 1.00 0.00 H new ATOM 0 HG13 VAL A 104 3.708 -10.492 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 104 5.785 -11.071 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 104 4.286 -12.008 0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 104 5.860 -12.838 0.741 1.00 0.00 H new ATOM 1525 N GLY A 105 6.534 -14.648 -1.949 1.00 0.00 N ATOM 1526 CA GLY A 105 7.146 -15.908 -1.603 1.00 0.00 C ATOM 1527 C GLY A 105 8.547 -15.727 -1.083 1.00 0.00 C ATOM 1528 O GLY A 105 9.091 -14.627 -1.125 1.00 0.00 O ATOM 0 H GLY A 105 7.016 -14.115 -2.673 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.541 -16.411 -0.849 1.00 0.00 H new ATOM 0 HA3 GLY A 105 7.165 -16.555 -2.480 1.00 0.00 H new ATOM 1532 N THR A 106 9.127 -16.790 -0.568 1.00 0.00 N ATOM 1533 CA THR A 106 10.517 -16.762 -0.173 1.00 0.00 C ATOM 1534 C THR A 106 11.388 -17.169 -1.354 1.00 0.00 C ATOM 1535 O THR A 106 11.112 -18.176 -2.012 1.00 0.00 O ATOM 1536 CB THR A 106 10.779 -17.688 1.027 1.00 0.00 C ATOM 1537 OG1 THR A 106 10.322 -19.015 0.736 1.00 0.00 O ATOM 1538 CG2 THR A 106 10.072 -17.165 2.269 1.00 0.00 C ATOM 0 H THR A 106 8.658 -17.682 -0.414 1.00 0.00 H new ATOM 0 HA THR A 106 10.768 -15.747 0.134 1.00 0.00 H new ATOM 0 HB THR A 106 11.852 -17.710 1.215 1.00 0.00 H new ATOM 0 HG1 THR A 106 10.871 -19.664 1.223 1.00 0.00 H new ATOM 0 HG21 THR A 106 10.269 -17.833 3.108 1.00 0.00 H new ATOM 0 HG22 THR A 106 10.442 -16.167 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 106 8.999 -17.120 2.085 1.00 0.00 H new ATOM 1546 N LEU A 107 12.410 -16.369 -1.637 1.00 0.00 N ATOM 1547 CA LEU A 107 13.268 -16.596 -2.792 1.00 0.00 C ATOM 1548 C LEU A 107 13.863 -17.993 -2.719 1.00 0.00 C ATOM 1549 O LEU A 107 14.378 -18.399 -1.682 1.00 0.00 O ATOM 1550 CB LEU A 107 14.365 -15.531 -2.852 1.00 0.00 C ATOM 1551 CG LEU A 107 15.091 -15.416 -4.195 1.00 0.00 C ATOM 1552 CD1 LEU A 107 14.113 -15.076 -5.308 1.00 0.00 C ATOM 1553 CD2 LEU A 107 16.185 -14.365 -4.115 1.00 0.00 C ATOM 0 H LEU A 107 12.665 -15.554 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 107 12.677 -16.520 -3.705 1.00 0.00 H new ATOM 0 HB2 LEU A 107 13.923 -14.564 -2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 107 15.101 -15.746 -2.077 1.00 0.00 H new ATOM 0 HG LEU A 107 15.547 -16.380 -4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 107 14.650 -14.999 -6.253 1.00 0.00 H new ATOM 0 HD12 LEU A 107 13.359 -15.860 -5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 107 13.628 -14.125 -5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 107 16.693 -14.294 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 107 15.745 -13.400 -3.865 1.00 0.00 H new ATOM 0 HD23 LEU A 107 16.904 -14.646 -3.345 1.00 0.00 H new ATOM 1565 N GLU A 108 13.760 -18.738 -3.807 1.00 0.00 N ATOM 1566 CA GLU A 108 14.106 -20.144 -3.775 1.00 0.00 C ATOM 1567 C GLU A 108 15.614 -20.358 -3.919 1.00 0.00 C ATOM 1568 O GLU A 108 16.237 -21.004 -3.077 1.00 0.00 O ATOM 1569 CB GLU A 108 13.352 -20.895 -4.870 1.00 0.00 C ATOM 1570 CG GLU A 108 13.386 -22.405 -4.709 1.00 0.00 C ATOM 1571 CD GLU A 108 12.713 -22.870 -3.434 1.00 0.00 C ATOM 1572 OE1 GLU A 108 11.465 -22.902 -3.392 1.00 0.00 O ATOM 1573 OE2 GLU A 108 13.430 -23.203 -2.463 1.00 0.00 O ATOM 0 H GLU A 108 13.443 -18.395 -4.714 1.00 0.00 H new ATOM 0 HA GLU A 108 13.811 -20.539 -2.803 1.00 0.00 H new ATOM 0 HB2 GLU A 108 12.314 -20.563 -4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 108 13.778 -20.632 -5.838 1.00 0.00 H new ATOM 0 HG2 GLU A 108 12.895 -22.869 -5.565 1.00 0.00 H new ATOM 0 HG3 GLU A 108 14.422 -22.744 -4.713 1.00 0.00 H new ATOM 1580 N HIS A 109 16.194 -19.812 -4.988 1.00 0.00 N ATOM 1581 CA HIS A 109 17.620 -19.990 -5.264 1.00 0.00 C ATOM 1582 C HIS A 109 18.478 -19.241 -4.241 1.00 0.00 C ATOM 1583 O HIS A 109 19.664 -19.518 -4.090 1.00 0.00 O ATOM 1584 CB HIS A 109 17.952 -19.528 -6.688 1.00 0.00 C ATOM 1585 CG HIS A 109 19.236 -20.092 -7.215 1.00 0.00 C ATOM 1586 ND1 HIS A 109 19.936 -19.531 -8.261 1.00 0.00 N ATOM 1587 CD2 HIS A 109 19.934 -21.193 -6.846 1.00 0.00 C ATOM 1588 CE1 HIS A 109 21.009 -20.259 -8.506 1.00 0.00 C ATOM 1589 NE2 HIS A 109 21.031 -21.271 -7.663 1.00 0.00 N ATOM 0 H HIS A 109 15.700 -19.244 -5.676 1.00 0.00 H new ATOM 0 HA HIS A 109 17.850 -21.052 -5.180 1.00 0.00 H new ATOM 0 HB2 HIS A 109 17.138 -19.815 -7.354 1.00 0.00 H new ATOM 0 HB3 HIS A 109 18.009 -18.440 -6.704 1.00 0.00 H new ATOM 0 HD2 HIS A 109 19.674 -21.881 -6.055 1.00 0.00 H new ATOM 0 HE1 HIS A 109 21.746 -20.059 -9.270 1.00 0.00 H new ATOM 0 HE2 HIS A 109 21.748 -21.995 -7.625 1.00 0.00 H new ATOM 1598 N HIS A 110 17.873 -18.278 -3.564 1.00 0.00 N ATOM 1599 CA HIS A 110 18.490 -17.633 -2.410 1.00 0.00 C ATOM 1600 C HIS A 110 17.505 -17.680 -1.259 1.00 0.00 C ATOM 1601 O HIS A 110 16.781 -16.718 -1.017 1.00 0.00 O ATOM 1602 CB HIS A 110 18.867 -16.173 -2.689 1.00 0.00 C ATOM 1603 CG HIS A 110 20.088 -15.970 -3.536 1.00 0.00 C ATOM 1604 ND1 HIS A 110 21.088 -16.905 -3.680 1.00 0.00 N ATOM 1605 CD2 HIS A 110 20.473 -14.900 -4.270 1.00 0.00 C ATOM 1606 CE1 HIS A 110 22.034 -16.415 -4.461 1.00 0.00 C ATOM 1607 NE2 HIS A 110 21.687 -15.198 -4.833 1.00 0.00 N ATOM 0 H HIS A 110 16.946 -17.921 -3.795 1.00 0.00 H new ATOM 0 HA HIS A 110 19.411 -18.166 -2.172 1.00 0.00 H new ATOM 0 HB2 HIS A 110 18.023 -15.685 -3.177 1.00 0.00 H new ATOM 0 HB3 HIS A 110 19.020 -15.667 -1.736 1.00 0.00 H new ATOM 0 HD2 HIS A 110 19.923 -13.978 -4.390 1.00 0.00 H new ATOM 0 HE1 HIS A 110 22.941 -16.926 -4.747 1.00 0.00 H new ATOM 0 HE2 HIS A 110 22.230 -14.582 -5.438 1.00 0.00 H new ATOM 1616 N HIS A 111 17.455 -18.807 -0.571 1.00 0.00 N ATOM 1617 CA HIS A 111 16.394 -19.043 0.391 1.00 0.00 C ATOM 1618 C HIS A 111 16.801 -18.612 1.790 1.00 0.00 C ATOM 1619 O HIS A 111 16.331 -17.596 2.288 1.00 0.00 O ATOM 1620 CB HIS A 111 15.974 -20.512 0.385 1.00 0.00 C ATOM 1621 CG HIS A 111 14.503 -20.694 0.588 1.00 0.00 C ATOM 1622 ND1 HIS A 111 13.724 -21.473 -0.234 1.00 0.00 N ATOM 1623 CD2 HIS A 111 13.662 -20.175 1.515 1.00 0.00 C ATOM 1624 CE1 HIS A 111 12.474 -21.426 0.174 1.00 0.00 C ATOM 1625 NE2 HIS A 111 12.405 -20.647 1.234 1.00 0.00 N ATOM 0 H HIS A 111 18.130 -19.567 -0.659 1.00 0.00 H new ATOM 0 HA HIS A 111 15.540 -18.435 0.091 1.00 0.00 H new ATOM 0 HB2 HIS A 111 16.264 -20.964 -0.563 1.00 0.00 H new ATOM 0 HB3 HIS A 111 16.513 -21.043 1.170 1.00 0.00 H new ATOM 0 HD1 HIS A 111 14.062 -22.005 -1.036 1.00 0.00 H new ATOM 0 HD2 HIS A 111 13.931 -19.513 2.325 1.00 0.00 H new ATOM 0 HE1 HIS A 111 11.642 -21.941 -0.284 1.00 0.00 H new ATOM 1634 N HIS A 112 17.668 -19.371 2.434 1.00 0.00 N ATOM 1635 CA HIS A 112 18.079 -19.016 3.779 1.00 0.00 C ATOM 1636 C HIS A 112 19.484 -18.440 3.774 1.00 0.00 C ATOM 1637 O HIS A 112 20.468 -19.147 3.988 1.00 0.00 O ATOM 1638 CB HIS A 112 17.980 -20.210 4.735 1.00 0.00 C ATOM 1639 CG HIS A 112 18.294 -19.853 6.159 1.00 0.00 C ATOM 1640 ND1 HIS A 112 17.695 -18.804 6.825 1.00 0.00 N ATOM 1641 CD2 HIS A 112 19.168 -20.401 7.037 1.00 0.00 C ATOM 1642 CE1 HIS A 112 18.189 -18.720 8.046 1.00 0.00 C ATOM 1643 NE2 HIS A 112 19.084 -19.678 8.203 1.00 0.00 N ATOM 0 H HIS A 112 18.093 -20.219 2.058 1.00 0.00 H new ATOM 0 HA HIS A 112 17.394 -18.251 4.143 1.00 0.00 H new ATOM 0 HB2 HIS A 112 16.974 -20.626 4.685 1.00 0.00 H new ATOM 0 HB3 HIS A 112 18.664 -20.991 4.403 1.00 0.00 H new ATOM 0 HD1 HIS A 112 16.981 -18.189 6.435 1.00 0.00 H new ATOM 0 HD2 HIS A 112 19.812 -21.249 6.855 1.00 0.00 H new ATOM 0 HE1 HIS A 112 17.908 -17.990 8.791 1.00 0.00 H new ATOM 1652 N HIS A 113 19.562 -17.154 3.495 1.00 0.00 N ATOM 1653 CA HIS A 113 20.822 -16.437 3.524 1.00 0.00 C ATOM 1654 C HIS A 113 21.182 -16.093 4.966 1.00 0.00 C ATOM 1655 O HIS A 113 20.297 -15.919 5.802 1.00 0.00 O ATOM 1656 CB HIS A 113 20.703 -15.162 2.676 1.00 0.00 C ATOM 1657 CG HIS A 113 21.950 -14.331 2.618 1.00 0.00 C ATOM 1658 ND1 HIS A 113 22.060 -13.097 3.221 1.00 0.00 N ATOM 1659 CD2 HIS A 113 23.137 -14.558 2.013 1.00 0.00 C ATOM 1660 CE1 HIS A 113 23.260 -12.603 2.988 1.00 0.00 C ATOM 1661 NE2 HIS A 113 23.936 -13.468 2.255 1.00 0.00 N ATOM 0 H HIS A 113 18.758 -16.579 3.243 1.00 0.00 H new ATOM 0 HA HIS A 113 21.613 -17.062 3.109 1.00 0.00 H new ATOM 0 HB2 HIS A 113 20.421 -15.442 1.661 1.00 0.00 H new ATOM 0 HB3 HIS A 113 19.893 -14.551 3.075 1.00 0.00 H new ATOM 0 HD1 HIS A 113 21.328 -12.638 3.763 1.00 0.00 H new ATOM 0 HD2 HIS A 113 23.407 -15.435 1.444 1.00 0.00 H new ATOM 0 HE1 HIS A 113 23.628 -11.650 3.338 1.00 0.00 H new ATOM 1670 N HIS A 114 22.468 -16.026 5.261 1.00 0.00 N ATOM 1671 CA HIS A 114 22.915 -15.585 6.572 1.00 0.00 C ATOM 1672 C HIS A 114 23.485 -14.177 6.471 1.00 0.00 C ATOM 1673 O HIS A 114 24.500 -13.994 5.775 1.00 0.00 O ATOM 1674 CB HIS A 114 23.932 -16.563 7.197 1.00 0.00 C ATOM 1675 CG HIS A 114 25.140 -16.865 6.353 1.00 0.00 C ATOM 1676 ND1 HIS A 114 25.251 -18.002 5.583 1.00 0.00 N ATOM 1677 CD2 HIS A 114 26.302 -16.188 6.180 1.00 0.00 C ATOM 1678 CE1 HIS A 114 26.422 -18.011 4.977 1.00 0.00 C ATOM 1679 NE2 HIS A 114 27.081 -16.920 5.321 1.00 0.00 N ATOM 1680 OXT HIS A 114 22.894 -13.253 7.064 1.00 0.00 O ATOM 0 H HIS A 114 23.219 -16.270 4.615 1.00 0.00 H new ATOM 0 HA HIS A 114 22.054 -15.570 7.240 1.00 0.00 H new ATOM 0 HB2 HIS A 114 24.268 -16.151 8.149 1.00 0.00 H new ATOM 0 HB3 HIS A 114 23.421 -17.500 7.418 1.00 0.00 H new ATOM 0 HD2 HIS A 114 26.566 -15.245 6.635 1.00 0.00 H new ATOM 0 HE1 HIS A 114 26.782 -18.781 4.311 1.00 0.00 H new ATOM 0 HE2 HIS A 114 28.015 -16.664 5.001 1.00 0.00 H new TER 1689 HIS A 114