USER MOD reduce.3.24.130724 H: found=0, std=0, add=1011, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 1012 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 58 MET CE :methyl -173:sc= -0.519 (180deg=-0.475) USER MOD Set 1.2: A 97 MET CE :methyl -114:sc= -0.832 (180deg=-1.68!) USER MOD Set 2.1: A 38 HIS : no HE2:sc= -0.0599 K(o=-1.9,f=-3.5) USER MOD Set 2.2: A 87 HIS : no HD1:sc= -1.87 K(o=-1.9,f=-1.2) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0.00722 X(o=0.0072,f=-0.078) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -2.72! K(o=-2.7!,f=-0.096) USER MOD Single : A 23 SER OG : rot 180:sc= 0.00579 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 170:sc= 0.67 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.123 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot -60:sc= 0.403 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.261 K(o=-0.26,f=-0.94) USER MOD Single : A 51 THR OG1 : rot 40:sc= 0.426 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 55 SER OG : rot -102:sc= 0.729 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -158:sc= -0.391 (180deg=-1.35!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot -57:sc= 1.15 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.34) USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.649 X(o=-0.65,f=-0.76) USER MOD Single : A 88 MET CE :methyl 161:sc= -0.0144 (180deg=-0.795) USER MOD Single : A 90 SER OG : rot 180:sc= -1.31 USER MOD Single : A 92 ASN : amide:sc= -0.104 K(o=-0.1,f=-0.91) USER MOD Single : A 93 ASN : amide:sc=-0.00605 X(o=-0.006,f=0.43) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -0.235 K(o=-0.23,f=-2.4!) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 MET CE :methyl -107:sc= -2.58! (180deg=-5.55!) USER MOD Single : A 103 THR OG1 : rot 71:sc= 0.516 USER MOD Single : A 105 GLN : amide:sc= -0.909 K(o=-0.91,f=-2.1!) USER MOD Single : A 106 GLN : amide:sc= -2.85! C(o=-2.8!,f=-2.8!) USER MOD Single : A 109 SER OG : rot -67:sc= 0.00216 USER MOD Single : A 111 TYR OH : rot -20:sc= -4.3 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 90 TYR OH : rot 180:sc= 0 USER MOD Single : B 92 SER OG : rot 180:sc= 0 USER MOD Single : B 99 THR OG1 : rot 180:sc= -0.0757 USER MOD Single : B 102 ASN : amide:sc= -0.0364 K(o=-0.036,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -13.685 12.849 6.679 1.00 0.00 N ATOM 2 CA PRO A 1 -12.938 11.616 6.306 1.00 0.00 C ATOM 3 C PRO A 1 -11.560 11.940 5.732 1.00 0.00 C ATOM 4 O PRO A 1 -11.380 11.993 4.515 1.00 0.00 O ATOM 5 CB PRO A 1 -13.779 10.861 5.280 1.00 0.00 C ATOM 6 CG PRO A 1 -14.908 11.788 4.975 1.00 0.00 C ATOM 7 CD PRO A 1 -15.060 12.686 6.179 1.00 0.00 C ATOM 0 H2 PRO A 1 -13.247 13.674 6.269 1.00 0.00 H new ATOM 0 H3 PRO A 1 -13.682 12.981 7.690 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.770 11.008 7.195 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.201 10.630 4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.139 9.914 5.681 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -14.699 12.372 4.079 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -15.827 11.232 4.787 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -15.502 13.645 5.908 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -15.708 12.237 6.932 1.00 0.00 H new ATOM 17 N SER A 2 -10.591 12.155 6.616 1.00 0.00 N ATOM 18 CA SER A 2 -9.230 12.472 6.199 1.00 0.00 C ATOM 19 C SER A 2 -8.300 11.287 6.431 1.00 0.00 C ATOM 20 O SER A 2 -7.551 10.889 5.539 1.00 0.00 O ATOM 21 CB SER A 2 -8.715 13.697 6.957 1.00 0.00 C ATOM 22 OG SER A 2 -7.905 14.509 6.124 1.00 0.00 O ATOM 0 H SER A 2 -10.723 12.115 7.627 1.00 0.00 H new ATOM 0 HA SER A 2 -9.245 12.694 5.132 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.558 14.279 7.329 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.141 13.376 7.826 1.00 0.00 H new ATOM 0 HG SER A 2 -7.590 15.286 6.631 1.00 0.00 H new ATOM 28 N HIS A 3 -8.353 10.726 7.635 1.00 0.00 N ATOM 29 CA HIS A 3 -7.514 9.585 7.984 1.00 0.00 C ATOM 30 C HIS A 3 -8.286 8.279 7.839 1.00 0.00 C ATOM 31 O HIS A 3 -8.131 7.362 8.645 1.00 0.00 O ATOM 32 CB HIS A 3 -6.993 9.728 9.415 1.00 0.00 C ATOM 33 CG HIS A 3 -5.722 10.513 9.513 1.00 0.00 C ATOM 34 ND1 HIS A 3 -5.638 11.853 9.196 1.00 0.00 N ATOM 35 CD2 HIS A 3 -4.477 10.141 9.897 1.00 0.00 C ATOM 36 CE1 HIS A 3 -4.398 12.270 9.379 1.00 0.00 C ATOM 37 NE2 HIS A 3 -3.675 11.252 9.804 1.00 0.00 N ATOM 0 H HIS A 3 -8.968 11.043 8.385 1.00 0.00 H new ATOM 0 HA HIS A 3 -6.668 9.564 7.298 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.757 10.211 10.025 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.831 8.735 9.835 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -4.172 9.155 10.216 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.037 13.274 9.209 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -2.680 11.285 10.028 1.00 0.00 H new ATOM 46 N SER A 4 -9.117 8.201 6.804 1.00 0.00 N ATOM 47 CA SER A 4 -9.915 7.006 6.551 1.00 0.00 C ATOM 48 C SER A 4 -10.804 7.187 5.324 1.00 0.00 C ATOM 49 O SER A 4 -11.462 8.216 5.167 1.00 0.00 O ATOM 50 CB SER A 4 -10.779 6.674 7.770 1.00 0.00 C ATOM 51 OG SER A 4 -11.554 7.793 8.165 1.00 0.00 O ATOM 0 H SER A 4 -9.255 8.951 6.127 1.00 0.00 H new ATOM 0 HA SER A 4 -9.228 6.181 6.361 1.00 0.00 H new ATOM 0 HB2 SER A 4 -11.436 5.836 7.537 1.00 0.00 H new ATOM 0 HB3 SER A 4 -10.142 6.359 8.596 1.00 0.00 H new ATOM 0 HG SER A 4 -12.098 7.555 8.944 1.00 0.00 H new ATOM 57 N GLY A 5 -10.825 6.175 4.462 1.00 0.00 N ATOM 58 CA GLY A 5 -11.641 6.230 3.266 1.00 0.00 C ATOM 59 C GLY A 5 -12.154 4.859 2.881 1.00 0.00 C ATOM 60 O GLY A 5 -11.578 3.848 3.275 1.00 0.00 O ATOM 0 H GLY A 5 -10.288 5.315 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -12.483 6.902 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -11.057 6.645 2.445 1.00 0.00 H new ATOM 64 N ALA A 6 -13.235 4.815 2.114 1.00 0.00 N ATOM 65 CA ALA A 6 -13.806 3.543 1.695 1.00 0.00 C ATOM 66 C ALA A 6 -12.910 2.865 0.667 1.00 0.00 C ATOM 67 O ALA A 6 -12.848 3.279 -0.491 1.00 0.00 O ATOM 68 CB ALA A 6 -15.206 3.746 1.143 1.00 0.00 C ATOM 0 H ALA A 6 -13.730 5.638 1.772 1.00 0.00 H new ATOM 0 HA ALA A 6 -13.874 2.891 2.566 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.618 2.785 0.834 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -15.841 4.183 1.914 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -15.165 4.416 0.284 1.00 0.00 H new ATOM 74 N ALA A 7 -12.207 1.825 1.106 1.00 0.00 N ATOM 75 CA ALA A 7 -11.298 1.090 0.233 1.00 0.00 C ATOM 76 C ALA A 7 -11.803 -0.325 -0.031 1.00 0.00 C ATOM 77 O ALA A 7 -12.564 -0.881 0.761 1.00 0.00 O ATOM 78 CB ALA A 7 -9.903 1.050 0.844 1.00 0.00 C ATOM 0 H ALA A 7 -12.250 1.472 2.062 1.00 0.00 H new ATOM 0 HA ALA A 7 -11.254 1.611 -0.723 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -9.233 0.499 0.184 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -9.532 2.067 0.971 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -9.945 0.555 1.814 1.00 0.00 H new ATOM 84 N ILE A 8 -11.376 -0.904 -1.151 1.00 0.00 N ATOM 85 CA ILE A 8 -11.784 -2.255 -1.521 1.00 0.00 C ATOM 86 C ILE A 8 -10.641 -3.248 -1.319 1.00 0.00 C ATOM 87 O ILE A 8 -9.474 -2.914 -1.524 1.00 0.00 O ATOM 88 CB ILE A 8 -12.269 -2.309 -2.986 1.00 0.00 C ATOM 89 CG1 ILE A 8 -13.671 -1.714 -3.088 1.00 0.00 C ATOM 90 CG2 ILE A 8 -12.261 -3.731 -3.530 1.00 0.00 C ATOM 91 CD1 ILE A 8 -13.712 -0.441 -3.882 1.00 0.00 C ATOM 0 H ILE A 8 -10.747 -0.457 -1.818 1.00 0.00 H new ATOM 0 HA ILE A 8 -12.611 -2.534 -0.869 1.00 0.00 H new ATOM 0 HB ILE A 8 -11.578 -1.722 -3.591 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -14.337 -2.444 -3.548 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -14.052 -1.522 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -12.609 -3.727 -4.563 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -11.248 -4.130 -3.490 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -12.921 -4.355 -2.927 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -14.735 -0.068 -3.918 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -13.071 0.303 -3.410 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -13.360 -0.633 -4.896 1.00 0.00 H new ATOM 103 N PHE A 9 -10.986 -4.468 -0.921 1.00 0.00 N ATOM 104 CA PHE A 9 -9.990 -5.509 -0.698 1.00 0.00 C ATOM 105 C PHE A 9 -10.543 -6.871 -1.095 1.00 0.00 C ATOM 106 O PHE A 9 -11.704 -7.176 -0.834 1.00 0.00 O ATOM 107 CB PHE A 9 -9.558 -5.527 0.769 1.00 0.00 C ATOM 108 CG PHE A 9 -8.476 -6.526 1.065 1.00 0.00 C ATOM 109 CD1 PHE A 9 -7.261 -6.467 0.401 1.00 0.00 C ATOM 110 CD2 PHE A 9 -8.673 -7.523 2.007 1.00 0.00 C ATOM 111 CE1 PHE A 9 -6.263 -7.385 0.671 1.00 0.00 C ATOM 112 CE2 PHE A 9 -7.679 -8.444 2.280 1.00 0.00 C ATOM 113 CZ PHE A 9 -6.473 -8.374 1.612 1.00 0.00 C ATOM 0 H PHE A 9 -11.948 -4.760 -0.746 1.00 0.00 H new ATOM 0 HA PHE A 9 -9.121 -5.290 -1.319 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -9.209 -4.533 1.049 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -10.425 -5.748 1.392 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -7.092 -5.695 -0.336 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -9.614 -7.581 2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -5.320 -7.329 0.147 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -7.846 -9.217 3.015 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.695 -9.092 1.825 1.00 0.00 H new ATOM 123 N GLU A 10 -9.713 -7.686 -1.734 1.00 0.00 N ATOM 124 CA GLU A 10 -10.134 -9.014 -2.167 1.00 0.00 C ATOM 125 C GLU A 10 -11.394 -8.934 -3.026 1.00 0.00 C ATOM 126 O GLU A 10 -12.206 -9.859 -3.040 1.00 0.00 O ATOM 127 CB GLU A 10 -10.385 -9.913 -0.955 1.00 0.00 C ATOM 128 CG GLU A 10 -9.149 -10.665 -0.490 1.00 0.00 C ATOM 129 CD GLU A 10 -8.923 -11.949 -1.264 1.00 0.00 C ATOM 130 OE1 GLU A 10 -9.700 -12.906 -1.067 1.00 0.00 O ATOM 131 OE2 GLU A 10 -7.968 -11.996 -2.068 1.00 0.00 O ATOM 0 H GLU A 10 -8.747 -7.452 -1.964 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.333 -9.443 -2.769 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -10.760 -9.304 -0.133 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -11.166 -10.632 -1.202 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -8.275 -10.022 -0.597 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -9.247 -10.897 0.571 1.00 0.00 H new ATOM 138 N LYS A 11 -11.546 -7.819 -3.742 1.00 0.00 N ATOM 139 CA LYS A 11 -12.702 -7.600 -4.615 1.00 0.00 C ATOM 140 C LYS A 11 -13.925 -7.119 -3.833 1.00 0.00 C ATOM 141 O LYS A 11 -14.965 -6.828 -4.423 1.00 0.00 O ATOM 142 CB LYS A 11 -13.049 -8.873 -5.393 1.00 0.00 C ATOM 143 CG LYS A 11 -11.831 -9.624 -5.910 1.00 0.00 C ATOM 144 CD LYS A 11 -12.046 -10.131 -7.326 1.00 0.00 C ATOM 145 CE LYS A 11 -11.407 -11.495 -7.533 1.00 0.00 C ATOM 146 NZ LYS A 11 -11.890 -12.152 -8.779 1.00 0.00 N ATOM 0 H LYS A 11 -10.878 -7.048 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.423 -6.817 -5.320 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -13.627 -9.536 -4.749 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -13.688 -8.610 -6.236 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -10.961 -8.968 -5.886 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -11.614 -10.465 -5.251 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -13.114 -10.194 -7.533 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.625 -9.419 -8.036 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.323 -11.385 -7.577 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.628 -12.133 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -11.430 -13.079 -8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.921 -12.280 -8.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.657 -11.556 -9.599 1.00 0.00 H new ATOM 160 N VAL A 12 -13.804 -7.030 -2.509 1.00 0.00 N ATOM 161 CA VAL A 12 -14.909 -6.576 -1.678 1.00 0.00 C ATOM 162 C VAL A 12 -14.664 -5.160 -1.179 1.00 0.00 C ATOM 163 O VAL A 12 -13.544 -4.804 -0.817 1.00 0.00 O ATOM 164 CB VAL A 12 -15.139 -7.520 -0.479 1.00 0.00 C ATOM 165 CG1 VAL A 12 -13.983 -7.473 0.510 1.00 0.00 C ATOM 166 CG2 VAL A 12 -16.455 -7.196 0.216 1.00 0.00 C ATOM 0 H VAL A 12 -12.955 -7.266 -1.995 1.00 0.00 H new ATOM 0 HA VAL A 12 -15.805 -6.584 -2.298 1.00 0.00 H new ATOM 0 HB VAL A 12 -15.192 -8.536 -0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.185 -8.152 1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.063 -7.775 0.009 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -13.872 -6.458 0.891 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -16.598 -7.873 1.058 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.432 -6.168 0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -17.278 -7.315 -0.489 1.00 0.00 H new ATOM 176 N SER A 13 -15.713 -4.348 -1.168 1.00 0.00 N ATOM 177 CA SER A 13 -15.587 -2.973 -0.717 1.00 0.00 C ATOM 178 C SER A 13 -15.746 -2.877 0.793 1.00 0.00 C ATOM 179 O SER A 13 -16.557 -3.586 1.391 1.00 0.00 O ATOM 180 CB SER A 13 -16.617 -2.081 -1.406 1.00 0.00 C ATOM 181 OG SER A 13 -16.997 -2.614 -2.663 1.00 0.00 O ATOM 0 H SER A 13 -16.652 -4.616 -1.464 1.00 0.00 H new ATOM 0 HA SER A 13 -14.588 -2.628 -0.983 1.00 0.00 H new ATOM 0 HB2 SER A 13 -17.497 -1.979 -0.770 1.00 0.00 H new ATOM 0 HB3 SER A 13 -16.204 -1.082 -1.542 1.00 0.00 H new ATOM 0 HG SER A 13 -17.658 -2.024 -3.082 1.00 0.00 H new ATOM 187 N GLY A 14 -14.966 -1.996 1.402 1.00 0.00 N ATOM 188 CA GLY A 14 -15.029 -1.817 2.837 1.00 0.00 C ATOM 189 C GLY A 14 -14.676 -0.406 3.253 1.00 0.00 C ATOM 190 O GLY A 14 -14.999 0.555 2.555 1.00 0.00 O ATOM 0 H GLY A 14 -14.289 -1.400 0.926 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -16.033 -2.057 3.188 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -14.347 -2.517 3.319 1.00 0.00 H new ATOM 194 N ILE A 15 -14.006 -0.279 4.391 1.00 0.00 N ATOM 195 CA ILE A 15 -13.605 1.025 4.895 1.00 0.00 C ATOM 196 C ILE A 15 -12.167 1.000 5.377 1.00 0.00 C ATOM 197 O ILE A 15 -11.820 0.252 6.287 1.00 0.00 O ATOM 198 CB ILE A 15 -14.496 1.486 6.063 1.00 0.00 C ATOM 199 CG1 ILE A 15 -15.961 1.126 5.798 1.00 0.00 C ATOM 200 CG2 ILE A 15 -14.328 2.982 6.298 1.00 0.00 C ATOM 201 CD1 ILE A 15 -16.613 1.953 4.712 1.00 0.00 C ATOM 0 H ILE A 15 -13.730 -1.064 4.981 1.00 0.00 H new ATOM 0 HA ILE A 15 -13.712 1.723 4.065 1.00 0.00 H new ATOM 0 HB ILE A 15 -14.184 0.965 6.968 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -16.021 0.073 5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -16.527 1.248 6.722 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.964 3.294 7.127 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -13.287 3.198 6.538 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -14.613 3.526 5.397 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.648 1.636 4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.587 3.006 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -16.074 1.813 3.775 1.00 0.00 H new ATOM 213 N ILE A 16 -11.339 1.837 4.780 1.00 0.00 N ATOM 214 CA ILE A 16 -9.945 1.924 5.167 1.00 0.00 C ATOM 215 C ILE A 16 -9.761 3.084 6.132 1.00 0.00 C ATOM 216 O ILE A 16 -10.123 4.218 5.828 1.00 0.00 O ATOM 217 CB ILE A 16 -9.032 2.082 3.924 1.00 0.00 C ATOM 218 CG1 ILE A 16 -8.339 0.756 3.611 1.00 0.00 C ATOM 219 CG2 ILE A 16 -7.993 3.178 4.107 1.00 0.00 C ATOM 220 CD1 ILE A 16 -7.392 0.829 2.432 1.00 0.00 C ATOM 0 H ILE A 16 -11.609 2.467 4.024 1.00 0.00 H new ATOM 0 HA ILE A 16 -9.656 0.999 5.666 1.00 0.00 H new ATOM 0 HB ILE A 16 -9.670 2.372 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -7.785 0.429 4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -9.097 -0.002 3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -7.378 3.250 3.210 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.495 4.130 4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -7.360 2.941 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -6.937 -0.148 2.269 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -7.944 1.125 1.540 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -6.612 1.562 2.637 1.00 0.00 H new ATOM 232 N ALA A 17 -9.225 2.792 7.303 1.00 0.00 N ATOM 233 CA ALA A 17 -9.029 3.821 8.312 1.00 0.00 C ATOM 234 C ALA A 17 -7.703 3.643 9.044 1.00 0.00 C ATOM 235 O ALA A 17 -7.423 2.581 9.600 1.00 0.00 O ATOM 236 CB ALA A 17 -10.198 3.810 9.285 1.00 0.00 C ATOM 0 H ALA A 17 -8.919 1.859 7.579 1.00 0.00 H new ATOM 0 HA ALA A 17 -8.990 4.790 7.815 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -10.050 4.582 10.041 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -11.124 4.005 8.744 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -10.259 2.835 9.769 1.00 0.00 H new ATOM 242 N ILE A 18 -6.888 4.695 9.034 1.00 0.00 N ATOM 243 CA ILE A 18 -5.586 4.667 9.689 1.00 0.00 C ATOM 244 C ILE A 18 -5.712 4.950 11.182 1.00 0.00 C ATOM 245 O ILE A 18 -6.199 6.006 11.587 1.00 0.00 O ATOM 246 CB ILE A 18 -4.619 5.692 9.059 1.00 0.00 C ATOM 247 CG1 ILE A 18 -4.551 5.496 7.543 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.231 5.572 9.677 1.00 0.00 C ATOM 249 CD1 ILE A 18 -5.612 6.263 6.784 1.00 0.00 C ATOM 0 H ILE A 18 -7.109 5.580 8.577 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.183 3.664 9.549 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.997 6.694 9.263 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.568 5.806 7.189 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.651 4.434 7.318 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -2.564 6.303 9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.293 5.759 10.749 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.842 4.568 9.505 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -5.502 6.076 5.716 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.600 5.937 7.110 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.499 7.329 6.979 1.00 0.00 H new ATOM 261 N ASN A 19 -5.263 4.001 11.995 1.00 0.00 N ATOM 262 CA ASN A 19 -5.318 4.143 13.444 1.00 0.00 C ATOM 263 C ASN A 19 -4.079 4.864 13.961 1.00 0.00 C ATOM 264 O ASN A 19 -2.997 4.280 14.041 1.00 0.00 O ATOM 265 CB ASN A 19 -5.439 2.771 14.110 1.00 0.00 C ATOM 266 CG ASN A 19 -6.112 2.844 15.467 1.00 0.00 C ATOM 267 OD1 ASN A 19 -7.250 3.297 15.585 1.00 0.00 O ATOM 268 ND2 ASN A 19 -5.408 2.398 16.500 1.00 0.00 N ATOM 0 H ASN A 19 -4.856 3.123 11.674 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.197 4.737 13.695 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.007 2.104 13.461 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.446 2.336 14.223 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.808 2.423 17.438 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.467 2.031 16.356 1.00 0.00 H new ATOM 275 N GLU A 20 -4.244 6.134 14.314 1.00 0.00 N ATOM 276 CA GLU A 20 -3.136 6.932 14.827 1.00 0.00 C ATOM 277 C GLU A 20 -3.072 6.866 16.350 1.00 0.00 C ATOM 278 O GLU A 20 -2.460 7.720 16.993 1.00 0.00 O ATOM 279 CB GLU A 20 -3.271 8.386 14.371 1.00 0.00 C ATOM 280 CG GLU A 20 -2.900 8.602 12.913 1.00 0.00 C ATOM 281 CD GLU A 20 -2.337 9.987 12.654 1.00 0.00 C ATOM 282 OE1 GLU A 20 -2.706 10.925 13.392 1.00 0.00 O ATOM 283 OE2 GLU A 20 -1.529 10.133 11.713 1.00 0.00 O ATOM 0 H GLU A 20 -5.132 6.632 14.255 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.210 6.518 14.427 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.299 8.714 14.528 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.637 9.015 14.996 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.166 7.854 12.614 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.782 8.450 12.291 1.00 0.00 H new ATOM 290 N ASP A 21 -3.691 5.839 16.921 1.00 0.00 N ATOM 291 CA ASP A 21 -3.688 5.651 18.365 1.00 0.00 C ATOM 292 C ASP A 21 -2.551 4.720 18.771 1.00 0.00 C ATOM 293 O ASP A 21 -2.174 4.652 19.940 1.00 0.00 O ATOM 294 CB ASP A 21 -5.028 5.079 18.833 1.00 0.00 C ATOM 295 CG ASP A 21 -6.113 6.134 18.906 1.00 0.00 C ATOM 296 OD1 ASP A 21 -5.931 7.123 19.648 1.00 0.00 O ATOM 297 OD2 ASP A 21 -7.146 5.972 18.223 1.00 0.00 O ATOM 0 H ASP A 21 -4.202 5.123 16.404 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.538 6.620 18.840 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.340 4.288 18.151 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -4.902 4.623 19.815 1.00 0.00 H new ATOM 302 N VAL A 22 -2.003 4.009 17.788 1.00 0.00 N ATOM 303 CA VAL A 22 -0.904 3.085 18.029 1.00 0.00 C ATOM 304 C VAL A 22 0.434 3.821 17.976 1.00 0.00 C ATOM 305 O VAL A 22 0.474 5.050 18.024 1.00 0.00 O ATOM 306 CB VAL A 22 -0.909 1.938 17.000 1.00 0.00 C ATOM 307 CG1 VAL A 22 -2.151 1.075 17.172 1.00 0.00 C ATOM 308 CG2 VAL A 22 -0.825 2.490 15.585 1.00 0.00 C ATOM 0 H VAL A 22 -2.305 4.057 16.815 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.039 2.659 19.023 1.00 0.00 H new ATOM 0 HB VAL A 22 -0.033 1.313 17.173 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -2.139 0.270 16.438 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.163 0.651 18.176 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.042 1.686 17.026 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.830 1.666 14.872 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.681 3.138 15.396 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.096 3.062 15.472 1.00 0.00 H new ATOM 318 N SER A 23 1.529 3.071 17.883 1.00 0.00 N ATOM 319 CA SER A 23 2.857 3.675 17.833 1.00 0.00 C ATOM 320 C SER A 23 3.330 3.859 16.391 1.00 0.00 C ATOM 321 O SER A 23 3.707 4.962 15.994 1.00 0.00 O ATOM 322 CB SER A 23 3.863 2.825 18.613 1.00 0.00 C ATOM 323 OG SER A 23 3.204 1.888 19.447 1.00 0.00 O ATOM 0 H SER A 23 1.524 2.052 17.841 1.00 0.00 H new ATOM 0 HA SER A 23 2.791 4.659 18.296 1.00 0.00 H new ATOM 0 HB2 SER A 23 4.516 2.300 17.917 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.497 3.472 19.219 1.00 0.00 H new ATOM 0 HG SER A 23 3.870 1.357 19.932 1.00 0.00 H new ATOM 329 N PRO A 24 3.329 2.782 15.585 1.00 0.00 N ATOM 330 CA PRO A 24 3.767 2.831 14.196 1.00 0.00 C ATOM 331 C PRO A 24 2.646 3.174 13.228 1.00 0.00 C ATOM 332 O PRO A 24 2.807 3.085 12.013 1.00 0.00 O ATOM 333 CB PRO A 24 4.263 1.408 13.931 1.00 0.00 C ATOM 334 CG PRO A 24 3.823 0.573 15.102 1.00 0.00 C ATOM 335 CD PRO A 24 2.916 1.427 15.948 1.00 0.00 C ATOM 0 HA PRO A 24 4.517 3.607 14.045 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.848 1.020 13.001 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.348 1.389 13.828 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.301 -0.321 14.761 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.684 0.238 15.680 1.00 0.00 H new ATOM 0 HD2 PRO A 24 1.864 1.249 15.723 1.00 0.00 H new ATOM 0 HD3 PRO A 24 3.051 1.233 17.012 1.00 0.00 H new ATOM 343 N ALA A 25 1.518 3.557 13.783 1.00 0.00 N ATOM 344 CA ALA A 25 0.342 3.914 12.999 1.00 0.00 C ATOM 345 C ALA A 25 -0.037 2.788 12.039 1.00 0.00 C ATOM 346 O ALA A 25 0.706 2.470 11.112 1.00 0.00 O ATOM 347 CB ALA A 25 0.583 5.211 12.243 1.00 0.00 C ATOM 0 H ALA A 25 1.383 3.632 14.791 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.493 4.064 13.683 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.304 5.464 11.662 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.793 6.012 12.952 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.433 5.088 11.572 1.00 0.00 H new ATOM 353 N GLU A 26 -1.194 2.182 12.275 1.00 0.00 N ATOM 354 CA GLU A 26 -1.660 1.083 11.438 1.00 0.00 C ATOM 355 C GLU A 26 -2.868 1.496 10.602 1.00 0.00 C ATOM 356 O GLU A 26 -3.517 2.504 10.876 1.00 0.00 O ATOM 357 CB GLU A 26 -2.025 -0.122 12.308 1.00 0.00 C ATOM 358 CG GLU A 26 -0.986 -0.439 13.372 1.00 0.00 C ATOM 359 CD GLU A 26 -1.509 -1.387 14.432 1.00 0.00 C ATOM 360 OE1 GLU A 26 -2.500 -2.097 14.158 1.00 0.00 O ATOM 361 OE2 GLU A 26 -0.929 -1.420 15.538 1.00 0.00 O ATOM 0 H GLU A 26 -1.825 2.432 13.036 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.850 0.813 10.760 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.983 0.066 12.792 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -2.157 -0.995 11.669 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -0.108 -0.878 12.898 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.662 0.488 13.846 1.00 0.00 H new ATOM 368 N LEU A 27 -3.163 0.693 9.586 1.00 0.00 N ATOM 369 CA LEU A 27 -4.290 0.939 8.699 1.00 0.00 C ATOM 370 C LEU A 27 -5.291 -0.206 8.825 1.00 0.00 C ATOM 371 O LEU A 27 -5.009 -1.330 8.417 1.00 0.00 O ATOM 372 CB LEU A 27 -3.804 1.063 7.254 1.00 0.00 C ATOM 373 CG LEU A 27 -4.902 1.284 6.210 1.00 0.00 C ATOM 374 CD1 LEU A 27 -4.522 2.417 5.269 1.00 0.00 C ATOM 375 CD2 LEU A 27 -5.161 0.006 5.427 1.00 0.00 C ATOM 0 H LEU A 27 -2.628 -0.144 9.356 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.776 1.873 8.980 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.098 1.892 7.196 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.255 0.158 6.994 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.819 1.560 6.730 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.314 2.560 4.534 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.387 3.335 5.841 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.592 2.169 4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.944 0.183 4.690 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.247 -0.301 4.918 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.478 -0.782 6.111 1.00 0.00 H new ATOM 387 N THR A 28 -6.446 0.074 9.415 1.00 0.00 N ATOM 388 CA THR A 28 -7.459 -0.957 9.616 1.00 0.00 C ATOM 389 C THR A 28 -8.595 -0.862 8.604 1.00 0.00 C ATOM 390 O THR A 28 -9.391 0.077 8.633 1.00 0.00 O ATOM 391 CB THR A 28 -8.025 -0.867 11.033 1.00 0.00 C ATOM 392 OG1 THR A 28 -7.009 -0.523 11.958 1.00 0.00 O ATOM 393 CG2 THR A 28 -8.662 -2.155 11.507 1.00 0.00 C ATOM 0 H THR A 28 -6.705 0.998 9.761 1.00 0.00 H new ATOM 0 HA THR A 28 -6.969 -1.920 9.470 1.00 0.00 H new ATOM 0 HB THR A 28 -8.795 -0.097 10.988 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.391 -0.469 12.859 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.043 -2.021 12.520 1.00 0.00 H new ATOM 0 HG22 THR A 28 -9.484 -2.421 10.842 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.919 -2.952 11.501 1.00 0.00 H new ATOM 401 N TRP A 29 -8.677 -1.857 7.727 1.00 0.00 N ATOM 402 CA TRP A 29 -9.722 -1.913 6.726 1.00 0.00 C ATOM 403 C TRP A 29 -10.937 -2.652 7.275 1.00 0.00 C ATOM 404 O TRP A 29 -10.897 -3.865 7.477 1.00 0.00 O ATOM 405 CB TRP A 29 -9.215 -2.625 5.471 1.00 0.00 C ATOM 406 CG TRP A 29 -10.295 -2.882 4.471 1.00 0.00 C ATOM 407 CD1 TRP A 29 -10.893 -1.957 3.678 1.00 0.00 C ATOM 408 CD2 TRP A 29 -10.917 -4.135 4.176 1.00 0.00 C ATOM 409 NE1 TRP A 29 -11.847 -2.556 2.886 1.00 0.00 N ATOM 410 CE2 TRP A 29 -11.881 -3.896 3.176 1.00 0.00 C ATOM 411 CE3 TRP A 29 -10.750 -5.437 4.656 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -12.673 -4.914 2.649 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -11.538 -6.444 4.133 1.00 0.00 C ATOM 414 CH2 TRP A 29 -12.488 -6.179 3.141 1.00 0.00 C ATOM 0 H TRP A 29 -8.023 -2.639 7.694 1.00 0.00 H new ATOM 0 HA TRP A 29 -10.008 -0.893 6.468 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -8.434 -2.022 5.008 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -8.758 -3.573 5.757 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -10.655 -0.904 3.669 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.432 -2.082 2.198 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -10.019 -5.652 5.421 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -13.405 -4.713 1.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -11.418 -7.454 4.497 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -13.089 -6.989 2.755 1.00 0.00 H new ATOM 425 N ARG A 30 -12.015 -1.920 7.503 1.00 0.00 N ATOM 426 CA ARG A 30 -13.243 -2.512 8.019 1.00 0.00 C ATOM 427 C ARG A 30 -14.319 -2.520 6.940 1.00 0.00 C ATOM 428 O ARG A 30 -14.760 -1.465 6.487 1.00 0.00 O ATOM 429 CB ARG A 30 -13.735 -1.742 9.245 1.00 0.00 C ATOM 430 CG ARG A 30 -12.747 -1.742 10.399 1.00 0.00 C ATOM 431 CD ARG A 30 -11.815 -0.542 10.334 1.00 0.00 C ATOM 432 NE ARG A 30 -12.341 0.603 11.073 1.00 0.00 N ATOM 433 CZ ARG A 30 -12.368 0.679 12.402 1.00 0.00 C ATOM 434 NH1 ARG A 30 -11.899 -0.318 13.141 1.00 0.00 N ATOM 435 NH2 ARG A 30 -12.864 1.757 12.993 1.00 0.00 N ATOM 0 H ARG A 30 -12.067 -0.915 7.340 1.00 0.00 H new ATOM 0 HA ARG A 30 -13.032 -3.540 8.315 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.945 -0.712 8.957 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.676 -2.176 9.583 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.290 -1.732 11.344 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.161 -2.661 10.378 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -10.841 -0.818 10.739 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.659 -0.260 9.293 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.709 1.391 10.540 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.515 -1.149 12.691 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.923 -0.253 14.159 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.224 2.527 12.430 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -12.885 1.816 14.011 1.00 0.00 H new ATOM 449 N SER A 31 -14.734 -3.714 6.528 1.00 0.00 N ATOM 450 CA SER A 31 -15.754 -3.853 5.491 1.00 0.00 C ATOM 451 C SER A 31 -16.941 -2.931 5.760 1.00 0.00 C ATOM 452 O SER A 31 -17.067 -2.365 6.845 1.00 0.00 O ATOM 453 CB SER A 31 -16.223 -5.311 5.402 1.00 0.00 C ATOM 454 OG SER A 31 -17.613 -5.393 5.133 1.00 0.00 O ATOM 0 H SER A 31 -14.381 -4.598 6.895 1.00 0.00 H new ATOM 0 HA SER A 31 -15.311 -3.564 4.538 1.00 0.00 H new ATOM 0 HB2 SER A 31 -15.668 -5.826 4.618 1.00 0.00 H new ATOM 0 HB3 SER A 31 -16.001 -5.824 6.338 1.00 0.00 H new ATOM 0 HG SER A 31 -17.851 -6.320 4.923 1.00 0.00 H new ATOM 460 N THR A 32 -17.809 -2.793 4.765 1.00 0.00 N ATOM 461 CA THR A 32 -18.985 -1.950 4.892 1.00 0.00 C ATOM 462 C THR A 32 -20.001 -2.624 5.791 1.00 0.00 C ATOM 463 O THR A 32 -20.643 -1.987 6.626 1.00 0.00 O ATOM 464 CB THR A 32 -19.599 -1.686 3.519 1.00 0.00 C ATOM 465 OG1 THR A 32 -18.834 -2.299 2.496 1.00 0.00 O ATOM 466 CG2 THR A 32 -19.713 -0.215 3.188 1.00 0.00 C ATOM 0 H THR A 32 -17.718 -3.256 3.861 1.00 0.00 H new ATOM 0 HA THR A 32 -18.691 -0.997 5.332 1.00 0.00 H new ATOM 0 HB THR A 32 -20.602 -2.111 3.567 1.00 0.00 H new ATOM 0 HG1 THR A 32 -19.247 -2.118 1.626 1.00 0.00 H new ATOM 0 HG21 THR A 32 -20.157 -0.098 2.199 1.00 0.00 H new ATOM 0 HG22 THR A 32 -20.343 0.277 3.929 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.722 0.238 3.197 1.00 0.00 H new ATOM 474 N ASP A 33 -20.133 -3.925 5.603 1.00 0.00 N ATOM 475 CA ASP A 33 -21.062 -4.721 6.384 1.00 0.00 C ATOM 476 C ASP A 33 -20.396 -5.265 7.641 1.00 0.00 C ATOM 477 O ASP A 33 -21.025 -5.379 8.693 1.00 0.00 O ATOM 478 CB ASP A 33 -21.620 -5.870 5.544 1.00 0.00 C ATOM 479 CG ASP A 33 -22.122 -5.407 4.191 1.00 0.00 C ATOM 480 OD1 ASP A 33 -23.159 -4.714 4.148 1.00 0.00 O ATOM 481 OD2 ASP A 33 -21.476 -5.737 3.173 1.00 0.00 O ATOM 0 H ASP A 33 -19.604 -4.456 4.911 1.00 0.00 H new ATOM 0 HA ASP A 33 -21.885 -4.074 6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -20.844 -6.623 5.402 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -22.435 -6.350 6.086 1.00 0.00 H new ATOM 486 N GLY A 34 -19.119 -5.599 7.522 1.00 0.00 N ATOM 487 CA GLY A 34 -18.382 -6.129 8.652 1.00 0.00 C ATOM 488 C GLY A 34 -18.060 -7.603 8.496 1.00 0.00 C ATOM 489 O GLY A 34 -17.772 -8.289 9.477 1.00 0.00 O ATOM 0 H GLY A 34 -18.579 -5.512 6.661 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -17.455 -5.569 8.772 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -18.963 -5.982 9.562 1.00 0.00 H new ATOM 493 N ASP A 35 -18.108 -8.089 7.260 1.00 0.00 N ATOM 494 CA ASP A 35 -17.819 -9.490 6.979 1.00 0.00 C ATOM 495 C ASP A 35 -16.333 -9.699 6.704 1.00 0.00 C ATOM 496 O ASP A 35 -15.830 -10.819 6.783 1.00 0.00 O ATOM 497 CB ASP A 35 -18.644 -9.974 5.785 1.00 0.00 C ATOM 498 CG ASP A 35 -20.045 -10.396 6.183 1.00 0.00 C ATOM 499 OD1 ASP A 35 -20.262 -10.682 7.380 1.00 0.00 O ATOM 500 OD2 ASP A 35 -20.925 -10.441 5.298 1.00 0.00 O ATOM 0 H ASP A 35 -18.344 -7.534 6.438 1.00 0.00 H new ATOM 0 HA ASP A 35 -18.090 -10.072 7.860 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -18.704 -9.178 5.042 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -18.135 -10.814 5.312 1.00 0.00 H new ATOM 505 N LYS A 36 -15.634 -8.615 6.378 1.00 0.00 N ATOM 506 CA LYS A 36 -14.205 -8.690 6.091 1.00 0.00 C ATOM 507 C LYS A 36 -13.446 -7.565 6.782 1.00 0.00 C ATOM 508 O LYS A 36 -13.929 -6.436 6.870 1.00 0.00 O ATOM 509 CB LYS A 36 -13.964 -8.637 4.582 1.00 0.00 C ATOM 510 CG LYS A 36 -14.720 -9.705 3.809 1.00 0.00 C ATOM 511 CD LYS A 36 -14.036 -10.030 2.489 1.00 0.00 C ATOM 512 CE LYS A 36 -13.947 -11.531 2.261 1.00 0.00 C ATOM 513 NZ LYS A 36 -14.176 -11.889 0.833 1.00 0.00 N ATOM 0 H LYS A 36 -16.032 -7.679 6.306 1.00 0.00 H new ATOM 0 HA LYS A 36 -13.833 -9.639 6.478 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -14.256 -7.655 4.210 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.897 -8.747 4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -14.794 -10.609 4.414 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -15.738 -9.365 3.618 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -14.587 -9.569 1.669 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -13.034 -9.600 2.482 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.965 -11.888 2.572 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -14.683 -12.038 2.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -14.107 -12.920 0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -15.123 -11.571 0.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -13.458 -11.426 0.240 1.00 0.00 H new ATOM 527 N VAL A 37 -12.252 -7.883 7.273 1.00 0.00 N ATOM 528 CA VAL A 37 -11.423 -6.904 7.960 1.00 0.00 C ATOM 529 C VAL A 37 -9.941 -7.122 7.649 1.00 0.00 C ATOM 530 O VAL A 37 -9.531 -8.220 7.270 1.00 0.00 O ATOM 531 CB VAL A 37 -11.662 -6.952 9.490 1.00 0.00 C ATOM 532 CG1 VAL A 37 -10.517 -7.641 10.224 1.00 0.00 C ATOM 533 CG2 VAL A 37 -11.886 -5.551 10.033 1.00 0.00 C ATOM 0 H VAL A 37 -11.838 -8.813 7.207 1.00 0.00 H new ATOM 0 HA VAL A 37 -11.708 -5.917 7.596 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.559 -7.545 9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.725 -7.653 11.294 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -10.417 -8.664 9.863 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -9.589 -7.099 10.041 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.053 -5.600 11.109 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -11.009 -4.937 9.829 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -12.758 -5.109 9.551 1.00 0.00 H new ATOM 543 N HIS A 38 -9.144 -6.072 7.813 1.00 0.00 N ATOM 544 CA HIS A 38 -7.709 -6.147 7.552 1.00 0.00 C ATOM 545 C HIS A 38 -6.963 -5.051 8.306 1.00 0.00 C ATOM 546 O HIS A 38 -7.488 -3.958 8.506 1.00 0.00 O ATOM 547 CB HIS A 38 -7.433 -6.031 6.051 1.00 0.00 C ATOM 548 CG HIS A 38 -6.142 -6.662 5.632 1.00 0.00 C ATOM 549 ND1 HIS A 38 -6.076 -7.854 4.942 1.00 0.00 N ATOM 550 CD2 HIS A 38 -4.860 -6.262 5.810 1.00 0.00 C ATOM 551 CE1 HIS A 38 -4.811 -8.160 4.714 1.00 0.00 C ATOM 552 NE2 HIS A 38 -4.054 -7.211 5.230 1.00 0.00 N ATOM 0 H HIS A 38 -9.467 -5.157 8.126 1.00 0.00 H new ATOM 0 HA HIS A 38 -7.351 -7.114 7.904 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -8.251 -6.497 5.502 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -7.421 -4.977 5.772 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -6.879 -8.413 4.653 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -4.533 -5.365 6.314 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -4.457 -9.038 4.194 1.00 0.00 H new ATOM 561 N THR A 39 -5.739 -5.351 8.732 1.00 0.00 N ATOM 562 CA THR A 39 -4.933 -4.383 9.469 1.00 0.00 C ATOM 563 C THR A 39 -3.523 -4.279 8.893 1.00 0.00 C ATOM 564 O THR A 39 -2.701 -5.178 9.068 1.00 0.00 O ATOM 565 CB THR A 39 -4.862 -4.773 10.946 1.00 0.00 C ATOM 566 OG1 THR A 39 -6.017 -5.498 11.330 1.00 0.00 O ATOM 567 CG2 THR A 39 -4.736 -3.584 11.874 1.00 0.00 C ATOM 0 H THR A 39 -5.286 -6.252 8.580 1.00 0.00 H new ATOM 0 HA THR A 39 -5.412 -3.408 9.373 1.00 0.00 H new ATOM 0 HB THR A 39 -3.964 -5.383 11.040 1.00 0.00 H new ATOM 0 HG1 THR A 39 -5.952 -5.740 12.277 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.691 -3.931 12.906 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.827 -3.032 11.637 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.600 -2.931 11.748 1.00 0.00 H new ATOM 575 N VAL A 40 -3.249 -3.170 8.211 1.00 0.00 N ATOM 576 CA VAL A 40 -1.937 -2.936 7.617 1.00 0.00 C ATOM 577 C VAL A 40 -1.100 -2.040 8.501 1.00 0.00 C ATOM 578 O VAL A 40 -1.569 -1.015 8.982 1.00 0.00 O ATOM 579 CB VAL A 40 -2.052 -2.286 6.225 1.00 0.00 C ATOM 580 CG1 VAL A 40 -0.806 -1.474 5.873 1.00 0.00 C ATOM 581 CG2 VAL A 40 -2.297 -3.353 5.184 1.00 0.00 C ATOM 0 H VAL A 40 -3.920 -2.418 8.056 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.458 -3.910 7.516 1.00 0.00 H new ATOM 0 HB VAL A 40 -2.895 -1.595 6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -0.927 -1.032 4.884 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.667 -0.683 6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.066 -2.127 5.874 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.378 -2.890 4.201 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.467 -4.060 5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.223 -3.880 5.414 1.00 0.00 H new ATOM 591 N VAL A 41 0.145 -2.414 8.696 1.00 0.00 N ATOM 592 CA VAL A 41 1.034 -1.606 9.512 1.00 0.00 C ATOM 593 C VAL A 41 1.954 -0.760 8.640 1.00 0.00 C ATOM 594 O VAL A 41 2.894 -1.267 8.030 1.00 0.00 O ATOM 595 CB VAL A 41 1.857 -2.457 10.498 1.00 0.00 C ATOM 596 CG1 VAL A 41 2.870 -1.598 11.246 1.00 0.00 C ATOM 597 CG2 VAL A 41 0.926 -3.155 11.476 1.00 0.00 C ATOM 0 H VAL A 41 0.564 -3.260 8.309 1.00 0.00 H new ATOM 0 HA VAL A 41 0.404 -0.942 10.104 1.00 0.00 H new ATOM 0 HB VAL A 41 2.409 -3.208 9.933 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.438 -2.223 11.936 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.551 -1.134 10.532 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.347 -0.823 11.806 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.513 -3.756 12.171 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.357 -2.410 12.031 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.240 -3.801 10.928 1.00 0.00 H new ATOM 607 N LEU A 42 1.664 0.535 8.587 1.00 0.00 N ATOM 608 CA LEU A 42 2.448 1.470 7.790 1.00 0.00 C ATOM 609 C LEU A 42 3.937 1.380 8.125 1.00 0.00 C ATOM 610 O LEU A 42 4.788 1.682 7.289 1.00 0.00 O ATOM 611 CB LEU A 42 1.943 2.896 8.016 1.00 0.00 C ATOM 612 CG LEU A 42 0.649 3.252 7.280 1.00 0.00 C ATOM 613 CD1 LEU A 42 0.814 3.032 5.785 1.00 0.00 C ATOM 614 CD2 LEU A 42 -0.520 2.436 7.819 1.00 0.00 C ATOM 0 H LEU A 42 0.887 0.963 9.090 1.00 0.00 H new ATOM 0 HA LEU A 42 2.326 1.204 6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.787 3.044 9.085 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.722 3.594 7.707 1.00 0.00 H new ATOM 0 HG LEU A 42 0.433 4.306 7.452 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.114 3.289 5.275 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.620 3.663 5.411 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.054 1.986 5.596 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.430 2.705 7.282 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.317 1.374 7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.650 2.645 8.881 1.00 0.00 H new ATOM 626 N SER A 43 4.247 0.959 9.349 1.00 0.00 N ATOM 627 CA SER A 43 5.636 0.830 9.780 1.00 0.00 C ATOM 628 C SER A 43 6.354 -0.254 8.985 1.00 0.00 C ATOM 629 O SER A 43 7.569 -0.200 8.797 1.00 0.00 O ATOM 630 CB SER A 43 5.706 0.520 11.277 1.00 0.00 C ATOM 631 OG SER A 43 6.955 -0.054 11.624 1.00 0.00 O ATOM 0 H SER A 43 3.559 0.703 10.057 1.00 0.00 H new ATOM 0 HA SER A 43 6.136 1.780 9.594 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.552 1.436 11.848 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.901 -0.163 11.548 1.00 0.00 H new ATOM 0 HG SER A 43 6.973 -0.241 12.586 1.00 0.00 H new ATOM 637 N THR A 44 5.591 -1.229 8.511 1.00 0.00 N ATOM 638 CA THR A 44 6.146 -2.324 7.723 1.00 0.00 C ATOM 639 C THR A 44 6.045 -2.009 6.240 1.00 0.00 C ATOM 640 O THR A 44 6.885 -2.419 5.441 1.00 0.00 O ATOM 641 CB THR A 44 5.414 -3.636 8.024 1.00 0.00 C ATOM 642 OG1 THR A 44 4.281 -3.785 7.186 1.00 0.00 O ATOM 643 CG2 THR A 44 4.938 -3.741 9.454 1.00 0.00 C ATOM 0 H THR A 44 4.583 -1.285 8.658 1.00 0.00 H new ATOM 0 HA THR A 44 7.195 -2.439 7.995 1.00 0.00 H new ATOM 0 HB THR A 44 6.148 -4.421 7.841 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.666 -3.036 7.331 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.428 -4.694 9.599 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.793 -3.681 10.127 1.00 0.00 H new ATOM 0 HG23 THR A 44 4.249 -2.924 9.669 1.00 0.00 H new ATOM 651 N ILE A 45 5.000 -1.275 5.888 1.00 0.00 N ATOM 652 CA ILE A 45 4.762 -0.889 4.504 1.00 0.00 C ATOM 653 C ILE A 45 6.021 -0.302 3.870 1.00 0.00 C ATOM 654 O ILE A 45 6.427 0.816 4.186 1.00 0.00 O ATOM 655 CB ILE A 45 3.605 0.129 4.396 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.301 -0.498 4.896 1.00 0.00 C ATOM 657 CG2 ILE A 45 3.444 0.616 2.962 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.007 -1.855 4.289 1.00 0.00 C ATOM 0 H ILE A 45 4.299 -0.933 6.545 1.00 0.00 H new ATOM 0 HA ILE A 45 4.484 -1.794 3.963 1.00 0.00 H new ATOM 0 HB ILE A 45 3.845 0.989 5.022 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.348 -0.597 5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.475 0.177 4.673 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.623 1.332 2.911 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.366 1.097 2.635 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.227 -0.232 2.312 1.00 0.00 H new ATOM 0 HD11 ILE A 45 1.068 -2.237 4.690 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.927 -1.760 3.206 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.814 -2.546 4.534 1.00 0.00 H new ATOM 670 N ASP A 46 6.632 -1.070 2.975 1.00 0.00 N ATOM 671 CA ASP A 46 7.845 -0.637 2.295 1.00 0.00 C ATOM 672 C ASP A 46 7.588 0.605 1.448 1.00 0.00 C ATOM 673 O ASP A 46 8.458 1.465 1.317 1.00 0.00 O ATOM 674 CB ASP A 46 8.392 -1.766 1.417 1.00 0.00 C ATOM 675 CG ASP A 46 9.887 -1.952 1.580 1.00 0.00 C ATOM 676 OD1 ASP A 46 10.636 -0.980 1.350 1.00 0.00 O ATOM 677 OD2 ASP A 46 10.310 -3.071 1.940 1.00 0.00 O ATOM 0 H ASP A 46 6.306 -1.997 2.704 1.00 0.00 H new ATOM 0 HA ASP A 46 8.584 -0.384 3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.883 -2.697 1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 46 8.167 -1.552 0.372 1.00 0.00 H new ATOM 682 N LYS A 47 6.391 0.696 0.870 1.00 0.00 N ATOM 683 CA LYS A 47 6.040 1.839 0.035 1.00 0.00 C ATOM 684 C LYS A 47 4.545 1.865 -0.260 1.00 0.00 C ATOM 685 O LYS A 47 3.848 0.863 -0.097 1.00 0.00 O ATOM 686 CB LYS A 47 6.830 1.817 -1.282 1.00 0.00 C ATOM 687 CG LYS A 47 7.609 0.532 -1.526 1.00 0.00 C ATOM 688 CD LYS A 47 7.880 0.316 -3.006 1.00 0.00 C ATOM 689 CE LYS A 47 8.730 -0.922 -3.241 1.00 0.00 C ATOM 690 NZ LYS A 47 9.707 -0.724 -4.347 1.00 0.00 N ATOM 0 H LYS A 47 5.654 -0.003 0.965 1.00 0.00 H new ATOM 0 HA LYS A 47 6.301 2.741 0.588 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.138 1.971 -2.110 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.526 2.656 -1.288 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.554 0.570 -0.984 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.048 -0.315 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.935 0.216 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 47 8.387 1.190 -3.416 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.265 -1.174 -2.325 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.083 -1.767 -3.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 10.267 -1.591 -4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.196 -0.508 -5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 10.341 0.066 -4.113 1.00 0.00 H new ATOM 704 N LEU A 48 4.063 3.021 -0.701 1.00 0.00 N ATOM 705 CA LEU A 48 2.654 3.192 -1.031 1.00 0.00 C ATOM 706 C LEU A 48 2.479 3.314 -2.541 1.00 0.00 C ATOM 707 O LEU A 48 3.394 3.736 -3.247 1.00 0.00 O ATOM 708 CB LEU A 48 2.096 4.438 -0.341 1.00 0.00 C ATOM 709 CG LEU A 48 0.580 4.624 -0.446 1.00 0.00 C ATOM 710 CD1 LEU A 48 -0.126 3.918 0.703 1.00 0.00 C ATOM 711 CD2 LEU A 48 0.226 6.106 -0.464 1.00 0.00 C ATOM 0 H LEU A 48 4.631 3.857 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 48 2.106 2.318 -0.679 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.368 4.401 0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.583 5.316 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 48 0.241 4.178 -1.381 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.203 4.061 0.612 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.102 2.853 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 48 0.216 4.334 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.855 6.221 -0.539 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.578 6.575 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.702 6.583 -1.321 1.00 0.00 H new ATOM 723 N GLN A 49 1.305 2.940 -3.030 1.00 0.00 N ATOM 724 CA GLN A 49 1.023 3.008 -4.458 1.00 0.00 C ATOM 725 C GLN A 49 -0.339 3.643 -4.717 1.00 0.00 C ATOM 726 O GLN A 49 -1.314 3.346 -4.028 1.00 0.00 O ATOM 727 CB GLN A 49 1.074 1.610 -5.076 1.00 0.00 C ATOM 728 CG GLN A 49 2.456 1.212 -5.566 1.00 0.00 C ATOM 729 CD GLN A 49 2.511 -0.224 -6.050 1.00 0.00 C ATOM 730 OE1 GLN A 49 2.798 -1.140 -5.280 1.00 0.00 O ATOM 731 NE2 GLN A 49 2.235 -0.427 -7.333 1.00 0.00 N ATOM 0 H GLN A 49 0.535 2.588 -2.462 1.00 0.00 H new ATOM 0 HA GLN A 49 1.786 3.632 -4.923 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.736 0.883 -4.338 1.00 0.00 H new ATOM 0 HB3 GLN A 49 0.375 1.565 -5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.756 1.877 -6.376 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.177 1.348 -4.760 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.002 0.362 -7.936 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.256 -1.372 -7.716 1.00 0.00 H new ATOM 740 N ALA A 50 -0.396 4.519 -5.714 1.00 0.00 N ATOM 741 CA ALA A 50 -1.637 5.195 -6.066 1.00 0.00 C ATOM 742 C ALA A 50 -1.679 5.532 -7.551 1.00 0.00 C ATOM 743 O ALA A 50 -0.701 6.028 -8.112 1.00 0.00 O ATOM 744 CB ALA A 50 -1.806 6.455 -5.230 1.00 0.00 C ATOM 0 H ALA A 50 0.404 4.777 -6.292 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.464 4.517 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.738 6.951 -5.503 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -1.833 6.190 -4.173 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -0.969 7.129 -5.414 1.00 0.00 H new ATOM 750 N THR A 51 -2.816 5.260 -8.181 1.00 0.00 N ATOM 751 CA THR A 51 -2.989 5.534 -9.604 1.00 0.00 C ATOM 752 C THR A 51 -3.403 6.983 -9.836 1.00 0.00 C ATOM 753 O THR A 51 -4.575 7.334 -9.706 1.00 0.00 O ATOM 754 CB THR A 51 -4.035 4.591 -10.202 1.00 0.00 C ATOM 755 OG1 THR A 51 -5.240 4.649 -9.461 1.00 0.00 O ATOM 756 CG2 THR A 51 -3.586 3.147 -10.238 1.00 0.00 C ATOM 0 H THR A 51 -3.633 4.850 -7.729 1.00 0.00 H new ATOM 0 HA THR A 51 -2.032 5.367 -10.098 1.00 0.00 H new ATOM 0 HB THR A 51 -4.184 4.933 -11.226 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.419 5.576 -9.199 1.00 0.00 H new ATOM 0 HG21 THR A 51 -4.374 2.532 -10.673 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.683 3.062 -10.843 1.00 0.00 H new ATOM 0 HG23 THR A 51 -3.377 2.805 -9.224 1.00 0.00 H new ATOM 764 N PRO A 52 -2.437 7.841 -10.203 1.00 0.00 N ATOM 765 CA PRO A 52 -2.681 9.260 -10.480 1.00 0.00 C ATOM 766 C PRO A 52 -3.882 9.474 -11.392 1.00 0.00 C ATOM 767 O PRO A 52 -4.348 8.546 -12.052 1.00 0.00 O ATOM 768 CB PRO A 52 -1.391 9.713 -11.185 1.00 0.00 C ATOM 769 CG PRO A 52 -0.664 8.450 -11.498 1.00 0.00 C ATOM 770 CD PRO A 52 -1.025 7.509 -10.401 1.00 0.00 C ATOM 0 HA PRO A 52 -2.908 9.818 -9.571 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.613 10.277 -12.091 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -0.797 10.363 -10.543 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.961 8.055 -12.469 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.413 8.615 -11.537 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.882 6.467 -10.688 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -0.432 7.676 -9.502 1.00 0.00 H new ATOM 778 N ALA A 53 -4.377 10.707 -11.428 1.00 0.00 N ATOM 779 CA ALA A 53 -5.521 11.047 -12.264 1.00 0.00 C ATOM 780 C ALA A 53 -5.278 10.670 -13.726 1.00 0.00 C ATOM 781 O ALA A 53 -6.221 10.567 -14.510 1.00 0.00 O ATOM 782 CB ALA A 53 -5.834 12.531 -12.148 1.00 0.00 C ATOM 0 H ALA A 53 -4.003 11.487 -10.887 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.377 10.472 -11.909 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -6.691 12.772 -12.777 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.066 12.774 -11.111 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.970 13.111 -12.473 1.00 0.00 H new ATOM 788 N SER A 54 -4.012 10.463 -14.090 1.00 0.00 N ATOM 789 CA SER A 54 -3.666 10.099 -15.459 1.00 0.00 C ATOM 790 C SER A 54 -4.100 8.670 -15.774 1.00 0.00 C ATOM 791 O SER A 54 -4.259 8.302 -16.938 1.00 0.00 O ATOM 792 CB SER A 54 -2.160 10.247 -15.682 1.00 0.00 C ATOM 793 OG SER A 54 -1.427 9.710 -14.595 1.00 0.00 O ATOM 0 H SER A 54 -3.215 10.541 -13.458 1.00 0.00 H new ATOM 0 HA SER A 54 -4.196 10.774 -16.131 1.00 0.00 H new ATOM 0 HB2 SER A 54 -1.874 9.739 -16.603 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.910 11.300 -15.808 1.00 0.00 H new ATOM 0 HG SER A 54 -0.467 9.816 -14.763 1.00 0.00 H new ATOM 799 N SER A 55 -4.293 7.870 -14.732 1.00 0.00 N ATOM 800 CA SER A 55 -4.712 6.483 -14.899 1.00 0.00 C ATOM 801 C SER A 55 -6.228 6.359 -14.796 1.00 0.00 C ATOM 802 O SER A 55 -6.817 6.659 -13.758 1.00 0.00 O ATOM 803 CB SER A 55 -4.042 5.596 -13.848 1.00 0.00 C ATOM 804 OG SER A 55 -4.662 4.323 -13.786 1.00 0.00 O ATOM 0 H SER A 55 -4.166 8.158 -13.762 1.00 0.00 H new ATOM 0 HA SER A 55 -4.405 6.152 -15.891 1.00 0.00 H new ATOM 0 HB2 SER A 55 -2.985 5.478 -14.087 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.096 6.078 -12.872 1.00 0.00 H new ATOM 0 HG SER A 55 -5.257 4.286 -13.008 1.00 0.00 H new ATOM 810 N GLU A 56 -6.856 5.915 -15.881 1.00 0.00 N ATOM 811 CA GLU A 56 -8.305 5.752 -15.913 1.00 0.00 C ATOM 812 C GLU A 56 -8.776 4.796 -14.822 1.00 0.00 C ATOM 813 O GLU A 56 -9.933 4.838 -14.402 1.00 0.00 O ATOM 814 CB GLU A 56 -8.752 5.238 -17.284 1.00 0.00 C ATOM 815 CG GLU A 56 -8.460 6.204 -18.420 1.00 0.00 C ATOM 816 CD GLU A 56 -9.524 7.274 -18.562 1.00 0.00 C ATOM 817 OE1 GLU A 56 -10.656 7.055 -18.081 1.00 0.00 O ATOM 818 OE2 GLU A 56 -9.226 8.333 -19.154 1.00 0.00 O ATOM 0 H GLU A 56 -6.384 5.662 -16.749 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.755 6.728 -15.731 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.254 4.290 -17.487 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -9.823 5.036 -17.256 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -7.493 6.678 -18.250 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.382 5.648 -19.354 1.00 0.00 H new ATOM 825 N LYS A 57 -7.873 3.937 -14.364 1.00 0.00 N ATOM 826 CA LYS A 57 -8.196 2.971 -13.320 1.00 0.00 C ATOM 827 C LYS A 57 -7.720 3.464 -11.958 1.00 0.00 C ATOM 828 O LYS A 57 -6.521 3.609 -11.723 1.00 0.00 O ATOM 829 CB LYS A 57 -7.561 1.612 -13.632 1.00 0.00 C ATOM 830 CG LYS A 57 -7.541 1.266 -15.114 1.00 0.00 C ATOM 831 CD LYS A 57 -8.916 1.425 -15.744 1.00 0.00 C ATOM 832 CE LYS A 57 -9.939 0.512 -15.087 1.00 0.00 C ATOM 833 NZ LYS A 57 -11.322 0.798 -15.557 1.00 0.00 N ATOM 0 H LYS A 57 -6.911 3.889 -14.699 1.00 0.00 H new ATOM 0 HA LYS A 57 -9.280 2.858 -13.290 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -6.539 1.604 -13.253 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -8.106 0.836 -13.095 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.828 1.909 -15.629 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.197 0.240 -15.244 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.241 2.462 -15.654 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -8.858 1.201 -16.809 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -9.690 -0.527 -15.303 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -9.891 0.633 -14.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.989 0.154 -15.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -11.570 1.782 -15.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.375 0.658 -16.586 1.00 0.00 H new ATOM 847 N MET A 58 -8.668 3.721 -11.063 1.00 0.00 N ATOM 848 CA MET A 58 -8.346 4.198 -9.723 1.00 0.00 C ATOM 849 C MET A 58 -8.095 3.028 -8.777 1.00 0.00 C ATOM 850 O MET A 58 -9.028 2.342 -8.362 1.00 0.00 O ATOM 851 CB MET A 58 -9.479 5.072 -9.183 1.00 0.00 C ATOM 852 CG MET A 58 -9.999 6.084 -10.192 1.00 0.00 C ATOM 853 SD MET A 58 -10.241 7.721 -9.475 1.00 0.00 S ATOM 854 CE MET A 58 -8.580 8.385 -9.580 1.00 0.00 C ATOM 0 H MET A 58 -9.666 3.607 -11.241 1.00 0.00 H new ATOM 0 HA MET A 58 -7.436 4.795 -9.785 1.00 0.00 H new ATOM 0 HB2 MET A 58 -10.302 4.431 -8.866 1.00 0.00 H new ATOM 0 HB3 MET A 58 -9.128 5.602 -8.297 1.00 0.00 H new ATOM 0 HG2 MET A 58 -9.297 6.156 -11.023 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.944 5.729 -10.603 1.00 0.00 H new ATOM 0 HE1 MET A 58 -8.538 9.344 -9.063 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.881 7.691 -9.114 1.00 0.00 H new ATOM 0 HE3 MET A 58 -8.310 8.525 -10.627 1.00 0.00 H new ATOM 864 N MET A 59 -6.828 2.807 -8.439 1.00 0.00 N ATOM 865 CA MET A 59 -6.455 1.721 -7.541 1.00 0.00 C ATOM 866 C MET A 59 -5.157 2.040 -6.807 1.00 0.00 C ATOM 867 O MET A 59 -4.220 2.586 -7.390 1.00 0.00 O ATOM 868 CB MET A 59 -6.301 0.414 -8.324 1.00 0.00 C ATOM 869 CG MET A 59 -7.612 -0.127 -8.872 1.00 0.00 C ATOM 870 SD MET A 59 -7.383 -1.596 -9.891 1.00 0.00 S ATOM 871 CE MET A 59 -6.137 -1.020 -11.041 1.00 0.00 C ATOM 0 H MET A 59 -6.043 3.366 -8.774 1.00 0.00 H new ATOM 0 HA MET A 59 -7.249 1.606 -6.804 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.610 0.576 -9.152 1.00 0.00 H new ATOM 0 HB3 MET A 59 -5.851 -0.337 -7.675 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.278 -0.365 -8.042 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.102 0.647 -9.462 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.165 -1.630 -11.944 1.00 0.00 H new ATOM 0 HE2 MET A 59 -6.334 0.020 -11.300 1.00 0.00 H new ATOM 0 HE3 MET A 59 -5.152 -1.099 -10.580 1.00 0.00 H new ATOM 881 N LEU A 60 -5.109 1.695 -5.525 1.00 0.00 N ATOM 882 CA LEU A 60 -3.925 1.943 -4.708 1.00 0.00 C ATOM 883 C LEU A 60 -3.355 0.634 -4.165 1.00 0.00 C ATOM 884 O LEU A 60 -4.101 -0.247 -3.738 1.00 0.00 O ATOM 885 CB LEU A 60 -4.267 2.880 -3.548 1.00 0.00 C ATOM 886 CG LEU A 60 -4.279 4.371 -3.891 1.00 0.00 C ATOM 887 CD1 LEU A 60 -5.100 4.626 -5.147 1.00 0.00 C ATOM 888 CD2 LEU A 60 -4.821 5.182 -2.724 1.00 0.00 C ATOM 0 H LEU A 60 -5.876 1.242 -5.028 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.172 2.415 -5.339 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.248 2.606 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.548 2.715 -2.746 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.254 4.687 -4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.096 5.692 -5.374 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.667 4.076 -5.982 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.125 4.293 -4.985 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.822 6.240 -2.986 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.839 4.862 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.191 5.026 -1.848 1.00 0.00 H new ATOM 900 N ARG A 61 -2.031 0.514 -4.183 1.00 0.00 N ATOM 901 CA ARG A 61 -1.366 -0.687 -3.689 1.00 0.00 C ATOM 902 C ARG A 61 -0.531 -0.381 -2.450 1.00 0.00 C ATOM 903 O ARG A 61 -0.079 0.747 -2.256 1.00 0.00 O ATOM 904 CB ARG A 61 -0.483 -1.294 -4.781 1.00 0.00 C ATOM 905 CG ARG A 61 -1.199 -2.327 -5.637 1.00 0.00 C ATOM 906 CD ARG A 61 -0.216 -3.272 -6.309 1.00 0.00 C ATOM 907 NE ARG A 61 -0.718 -4.643 -6.352 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.937 -5.388 -5.270 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.701 -4.897 -4.059 1.00 0.00 N ATOM 910 NH2 ARG A 61 -1.394 -6.626 -5.400 1.00 0.00 N ATOM 0 H ARG A 61 -1.398 1.233 -4.534 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.135 -1.408 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.113 -0.495 -5.424 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.387 -1.759 -4.317 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.889 -2.899 -5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.796 -1.821 -6.396 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.017 -2.927 -7.324 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.733 -3.250 -5.773 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.912 -5.054 -7.265 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.350 -3.945 -3.954 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.870 -5.472 -3.234 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.578 -7.007 -6.328 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -1.562 -7.197 -4.572 1.00 0.00 H new ATOM 924 N LEU A 62 -0.339 -1.395 -1.612 1.00 0.00 N ATOM 925 CA LEU A 62 0.433 -1.239 -0.385 1.00 0.00 C ATOM 926 C LEU A 62 1.522 -2.304 -0.284 1.00 0.00 C ATOM 927 O LEU A 62 1.231 -3.485 -0.099 1.00 0.00 O ATOM 928 CB LEU A 62 -0.497 -1.327 0.830 1.00 0.00 C ATOM 929 CG LEU A 62 -0.217 -0.342 1.979 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.657 0.820 1.533 1.00 0.00 C ATOM 931 CD2 LEU A 62 -1.525 0.183 2.541 1.00 0.00 C ATOM 0 H LEU A 62 -0.708 -2.334 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 62 0.913 -0.261 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.520 -1.172 0.489 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.444 -2.340 1.228 1.00 0.00 H new ATOM 0 HG LEU A 62 0.325 -0.885 2.753 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.829 1.490 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.612 0.439 1.171 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.157 1.365 0.732 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.318 0.879 3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.079 0.697 1.755 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.119 -0.649 2.919 1.00 0.00 H new ATOM 943 N ILE A 63 2.775 -1.878 -0.402 1.00 0.00 N ATOM 944 CA ILE A 63 3.905 -2.797 -0.317 1.00 0.00 C ATOM 945 C ILE A 63 4.341 -2.981 1.131 1.00 0.00 C ATOM 946 O ILE A 63 4.526 -2.008 1.858 1.00 0.00 O ATOM 947 CB ILE A 63 5.103 -2.293 -1.150 1.00 0.00 C ATOM 948 CG1 ILE A 63 4.704 -2.160 -2.619 1.00 0.00 C ATOM 949 CG2 ILE A 63 6.292 -3.233 -1.004 1.00 0.00 C ATOM 950 CD1 ILE A 63 4.192 -3.450 -3.218 1.00 0.00 C ATOM 0 H ILE A 63 3.034 -0.904 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 63 3.575 -3.754 -0.721 1.00 0.00 H new ATOM 0 HB ILE A 63 5.397 -1.312 -0.777 1.00 0.00 H new ATOM 0 HG12 ILE A 63 3.934 -1.394 -2.711 1.00 0.00 H new ATOM 0 HG13 ILE A 63 5.565 -1.818 -3.193 1.00 0.00 H new ATOM 0 HG21 ILE A 63 7.126 -2.860 -1.599 1.00 0.00 H new ATOM 0 HG22 ILE A 63 6.588 -3.285 0.044 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.014 -4.228 -1.352 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.926 -3.286 -4.262 1.00 0.00 H new ATOM 0 HD12 ILE A 63 4.968 -4.213 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.312 -3.783 -2.668 1.00 0.00 H new ATOM 962 N GLY A 64 4.503 -4.235 1.541 1.00 0.00 N ATOM 963 CA GLY A 64 4.915 -4.524 2.903 1.00 0.00 C ATOM 964 C GLY A 64 6.413 -4.729 3.027 1.00 0.00 C ATOM 965 O GLY A 64 7.108 -4.883 2.022 1.00 0.00 O ATOM 0 H GLY A 64 4.356 -5.057 0.954 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.609 -3.704 3.553 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.399 -5.418 3.253 1.00 0.00 H new ATOM 969 N LYS A 65 6.912 -4.734 4.261 1.00 0.00 N ATOM 970 CA LYS A 65 8.337 -4.923 4.506 1.00 0.00 C ATOM 971 C LYS A 65 8.820 -6.246 3.918 1.00 0.00 C ATOM 972 O LYS A 65 8.126 -7.259 3.991 1.00 0.00 O ATOM 973 CB LYS A 65 8.631 -4.880 6.006 1.00 0.00 C ATOM 974 CG LYS A 65 9.867 -4.069 6.360 1.00 0.00 C ATOM 975 CD LYS A 65 9.686 -2.600 6.015 1.00 0.00 C ATOM 976 CE LYS A 65 10.903 -1.780 6.412 1.00 0.00 C ATOM 977 NZ LYS A 65 10.707 -1.091 7.717 1.00 0.00 N ATOM 0 H LYS A 65 6.351 -4.610 5.104 1.00 0.00 H new ATOM 0 HA LYS A 65 8.874 -4.111 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.770 -4.459 6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.758 -5.899 6.372 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.078 -4.171 7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 65 10.730 -4.466 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.509 -2.496 4.944 1.00 0.00 H new ATOM 0 HD3 LYS A 65 8.803 -2.212 6.523 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.775 -2.431 6.473 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.110 -1.040 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 11.559 -0.543 7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.890 -0.450 7.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.535 -1.798 8.460 1.00 0.00 H new ATOM 991 N VAL A 66 10.014 -6.226 3.336 1.00 0.00 N ATOM 992 CA VAL A 66 10.598 -7.395 2.739 1.00 0.00 C ATOM 993 C VAL A 66 11.770 -7.884 3.580 1.00 0.00 C ATOM 994 O VAL A 66 11.631 -8.131 4.778 1.00 0.00 O ATOM 995 CB VAL A 66 11.005 -7.077 1.279 1.00 0.00 C ATOM 996 CG1 VAL A 66 12.085 -6.002 1.227 1.00 0.00 C ATOM 997 CG2 VAL A 66 11.431 -8.339 0.540 1.00 0.00 C ATOM 0 H VAL A 66 10.596 -5.391 3.271 1.00 0.00 H new ATOM 0 HA VAL A 66 9.871 -8.206 2.710 1.00 0.00 H new ATOM 0 HB VAL A 66 10.129 -6.680 0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.349 -5.801 0.189 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.712 -5.088 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 66 12.968 -6.347 1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.711 -8.085 -0.482 1.00 0.00 H new ATOM 0 HG22 VAL A 66 12.284 -8.788 1.049 1.00 0.00 H new ATOM 0 HG23 VAL A 66 10.603 -9.048 0.524 1.00 0.00 H new ATOM 1007 N ASP A 67 12.902 -8.016 2.953 1.00 0.00 N ATOM 1008 CA ASP A 67 14.118 -8.472 3.614 1.00 0.00 C ATOM 1009 C ASP A 67 15.290 -8.489 2.638 1.00 0.00 C ATOM 1010 O ASP A 67 15.160 -8.063 1.491 1.00 0.00 O ATOM 1011 CB ASP A 67 13.911 -9.868 4.205 1.00 0.00 C ATOM 1012 CG ASP A 67 13.576 -10.901 3.147 1.00 0.00 C ATOM 1013 OD1 ASP A 67 12.404 -10.955 2.721 1.00 0.00 O ATOM 1014 OD2 ASP A 67 14.486 -11.655 2.744 1.00 0.00 O ATOM 0 H ASP A 67 13.022 -7.812 1.961 1.00 0.00 H new ATOM 0 HA ASP A 67 14.348 -7.776 4.421 1.00 0.00 H new ATOM 0 HB2 ASP A 67 14.814 -10.173 4.733 1.00 0.00 H new ATOM 0 HB3 ASP A 67 13.108 -9.832 4.941 1.00 0.00 H new ATOM 1019 N GLU A 68 16.433 -8.985 3.099 1.00 0.00 N ATOM 1020 CA GLU A 68 17.627 -9.056 2.264 1.00 0.00 C ATOM 1021 C GLU A 68 18.767 -9.748 3.002 1.00 0.00 C ATOM 1022 O GLU A 68 19.930 -9.366 2.865 1.00 0.00 O ATOM 1023 CB GLU A 68 18.057 -7.652 1.833 1.00 0.00 C ATOM 1024 CG GLU A 68 18.374 -6.729 2.999 1.00 0.00 C ATOM 1025 CD GLU A 68 19.864 -6.574 3.230 1.00 0.00 C ATOM 1026 OE1 GLU A 68 20.625 -6.598 2.241 1.00 0.00 O ATOM 1027 OE2 GLU A 68 20.270 -6.427 4.403 1.00 0.00 O ATOM 0 H GLU A 68 16.558 -9.344 4.046 1.00 0.00 H new ATOM 0 HA GLU A 68 17.386 -9.642 1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.936 -7.730 1.193 1.00 0.00 H new ATOM 0 HB3 GLU A 68 17.264 -7.206 1.232 1.00 0.00 H new ATOM 0 HG2 GLU A 68 17.935 -5.749 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.908 -7.119 3.904 1.00 0.00 H new ATOM 1034 N SER A 69 18.428 -10.767 3.784 1.00 0.00 N ATOM 1035 CA SER A 69 19.426 -11.512 4.544 1.00 0.00 C ATOM 1036 C SER A 69 18.911 -12.902 4.903 1.00 0.00 C ATOM 1037 O SER A 69 19.265 -13.456 5.943 1.00 0.00 O ATOM 1038 CB SER A 69 19.802 -10.750 5.816 1.00 0.00 C ATOM 1039 OG SER A 69 20.659 -11.522 6.640 1.00 0.00 O ATOM 0 H SER A 69 17.471 -11.096 3.908 1.00 0.00 H new ATOM 0 HA SER A 69 20.313 -11.623 3.920 1.00 0.00 H new ATOM 0 HB2 SER A 69 20.294 -9.814 5.551 1.00 0.00 H new ATOM 0 HB3 SER A 69 18.899 -10.490 6.368 1.00 0.00 H new ATOM 0 HG SER A 69 20.224 -12.372 6.859 1.00 0.00 H new ATOM 1045 N LYS A 70 18.072 -13.459 4.036 1.00 0.00 N ATOM 1046 CA LYS A 70 17.508 -14.785 4.262 1.00 0.00 C ATOM 1047 C LYS A 70 17.132 -15.449 2.942 1.00 0.00 C ATOM 1048 O LYS A 70 17.489 -16.601 2.692 1.00 0.00 O ATOM 1049 CB LYS A 70 16.278 -14.691 5.168 1.00 0.00 C ATOM 1050 CG LYS A 70 16.606 -14.299 6.599 1.00 0.00 C ATOM 1051 CD LYS A 70 17.493 -15.333 7.270 1.00 0.00 C ATOM 1052 CE LYS A 70 17.761 -14.978 8.724 1.00 0.00 C ATOM 1053 NZ LYS A 70 16.606 -15.316 9.601 1.00 0.00 N ATOM 0 H LYS A 70 17.768 -13.013 3.171 1.00 0.00 H new ATOM 0 HA LYS A 70 18.266 -15.396 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 70 15.584 -13.962 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 70 15.765 -15.653 5.172 1.00 0.00 H new ATOM 0 HG2 LYS A 70 17.105 -13.330 6.607 1.00 0.00 H new ATOM 0 HG3 LYS A 70 15.683 -14.186 7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 70 17.018 -16.312 7.215 1.00 0.00 H new ATOM 0 HD3 LYS A 70 18.438 -15.407 6.732 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.647 -15.510 9.070 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.977 -13.913 8.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 16.829 -15.058 10.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 15.766 -14.789 9.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 16.415 -16.337 9.546 1.00 0.00 H new ATOM 1067 N LYS A 71 16.410 -14.716 2.101 1.00 0.00 N ATOM 1068 CA LYS A 71 15.986 -15.235 0.806 1.00 0.00 C ATOM 1069 C LYS A 71 15.114 -16.475 0.976 1.00 0.00 C ATOM 1070 O LYS A 71 15.084 -17.082 2.045 1.00 0.00 O ATOM 1071 CB LYS A 71 17.204 -15.567 -0.058 1.00 0.00 C ATOM 1072 CG LYS A 71 17.736 -14.379 -0.843 1.00 0.00 C ATOM 1073 CD LYS A 71 18.905 -13.719 -0.130 1.00 0.00 C ATOM 1074 CE LYS A 71 18.974 -12.231 -0.434 1.00 0.00 C ATOM 1075 NZ LYS A 71 20.359 -11.700 -0.300 1.00 0.00 N ATOM 0 H LYS A 71 16.106 -13.761 2.293 1.00 0.00 H new ATOM 0 HA LYS A 71 15.397 -14.464 0.309 1.00 0.00 H new ATOM 0 HB2 LYS A 71 17.998 -15.954 0.581 1.00 0.00 H new ATOM 0 HB3 LYS A 71 16.939 -16.363 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 71 18.051 -14.708 -1.833 1.00 0.00 H new ATOM 0 HG3 LYS A 71 16.938 -13.650 -0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 71 18.808 -13.868 0.945 1.00 0.00 H new ATOM 0 HD3 LYS A 71 19.836 -14.197 -0.435 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.612 -12.050 -1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 71 18.311 -11.691 0.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 20.363 -10.683 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 20.695 -11.849 0.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 20.987 -12.197 -0.964 1.00 0.00 H new ATOM 1089 N ARG A 72 14.408 -16.846 -0.087 1.00 0.00 N ATOM 1090 CA ARG A 72 13.536 -18.014 -0.056 1.00 0.00 C ATOM 1091 C ARG A 72 13.729 -18.870 -1.303 1.00 0.00 C ATOM 1092 O ARG A 72 14.589 -18.585 -2.137 1.00 0.00 O ATOM 1093 CB ARG A 72 12.073 -17.581 0.057 1.00 0.00 C ATOM 1094 CG ARG A 72 11.576 -16.793 -1.143 1.00 0.00 C ATOM 1095 CD ARG A 72 10.062 -16.865 -1.269 1.00 0.00 C ATOM 1096 NE ARG A 72 9.608 -18.194 -1.667 1.00 0.00 N ATOM 1097 CZ ARG A 72 8.405 -18.445 -2.178 1.00 0.00 C ATOM 1098 NH1 ARG A 72 7.532 -17.459 -2.354 1.00 0.00 N ATOM 1099 NH2 ARG A 72 8.071 -19.683 -2.515 1.00 0.00 N ATOM 0 H ARG A 72 14.423 -16.354 -0.981 1.00 0.00 H new ATOM 0 HA ARG A 72 13.800 -18.611 0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.450 -18.466 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 72 11.951 -16.975 0.955 1.00 0.00 H new ATOM 0 HG2 ARG A 72 11.885 -15.752 -1.049 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.037 -17.182 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 72 9.606 -16.597 -0.316 1.00 0.00 H new ATOM 0 HD3 ARG A 72 9.724 -16.132 -2.002 1.00 0.00 H new ATOM 0 HE ARG A 72 10.251 -18.977 -1.546 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.782 -16.504 -2.097 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.611 -17.657 -2.746 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.736 -20.445 -2.383 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.149 -19.874 -2.906 1.00 0.00 H new ATOM 1113 N LYS A 73 12.925 -19.921 -1.423 1.00 0.00 N ATOM 1114 CA LYS A 73 13.006 -20.819 -2.569 1.00 0.00 C ATOM 1115 C LYS A 73 11.732 -20.752 -3.403 1.00 0.00 C ATOM 1116 O LYS A 73 10.762 -20.099 -3.020 1.00 0.00 O ATOM 1117 CB LYS A 73 13.247 -22.255 -2.101 1.00 0.00 C ATOM 1118 CG LYS A 73 14.369 -22.385 -1.083 1.00 0.00 C ATOM 1119 CD LYS A 73 15.668 -22.826 -1.736 1.00 0.00 C ATOM 1120 CE LYS A 73 16.624 -23.434 -0.723 1.00 0.00 C ATOM 1121 NZ LYS A 73 17.571 -22.424 -0.175 1.00 0.00 N ATOM 0 H LYS A 73 12.210 -20.172 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 73 13.843 -20.501 -3.190 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.327 -22.646 -1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.479 -22.876 -2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 73 14.519 -21.429 -0.582 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.084 -23.105 -0.316 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.454 -23.554 -2.518 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.143 -21.971 -2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.054 -23.877 0.093 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.186 -24.241 -1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.205 -22.880 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.134 -22.019 -0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 17.036 -21.667 0.297 1.00 0.00 H new ATOM 1135 N ASP A 74 11.741 -21.429 -4.546 1.00 0.00 N ATOM 1136 CA ASP A 74 10.583 -21.445 -5.434 1.00 0.00 C ATOM 1137 C ASP A 74 9.739 -22.697 -5.215 1.00 0.00 C ATOM 1138 O ASP A 74 8.995 -23.117 -6.101 1.00 0.00 O ATOM 1139 CB ASP A 74 11.033 -21.368 -6.894 1.00 0.00 C ATOM 1140 CG ASP A 74 9.984 -20.742 -7.791 1.00 0.00 C ATOM 1141 OD1 ASP A 74 8.861 -21.284 -7.859 1.00 0.00 O ATOM 1142 OD2 ASP A 74 10.286 -19.709 -8.426 1.00 0.00 O ATOM 0 H ASP A 74 12.536 -21.974 -4.880 1.00 0.00 H new ATOM 0 HA ASP A 74 9.970 -20.574 -5.202 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.954 -20.788 -6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.263 -22.371 -7.254 1.00 0.00 H new ATOM 1147 N ASN A 75 9.857 -23.287 -4.026 1.00 0.00 N ATOM 1148 CA ASN A 75 9.103 -24.493 -3.682 1.00 0.00 C ATOM 1149 C ASN A 75 9.679 -25.736 -4.363 1.00 0.00 C ATOM 1150 O ASN A 75 9.172 -26.842 -4.174 1.00 0.00 O ATOM 1151 CB ASN A 75 7.631 -24.331 -4.065 1.00 0.00 C ATOM 1152 CG ASN A 75 6.722 -25.250 -3.273 1.00 0.00 C ATOM 1153 OD1 ASN A 75 6.561 -26.424 -3.609 1.00 0.00 O ATOM 1154 ND2 ASN A 75 6.120 -24.720 -2.214 1.00 0.00 N ATOM 0 H ASN A 75 10.469 -22.949 -3.283 1.00 0.00 H new ATOM 0 HA ASN A 75 9.185 -24.629 -2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 75 7.328 -23.297 -3.902 1.00 0.00 H new ATOM 0 HB3 ASN A 75 7.511 -24.535 -5.129 1.00 0.00 H new ATOM 0 HD21 ASN A 75 5.496 -25.291 -1.643 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.282 -23.743 -1.971 1.00 0.00 H new ATOM 1161 N GLU A 76 10.735 -25.556 -5.153 1.00 0.00 N ATOM 1162 CA GLU A 76 11.364 -26.670 -5.852 1.00 0.00 C ATOM 1163 C GLU A 76 12.740 -26.960 -5.275 1.00 0.00 C ATOM 1164 O GLU A 76 13.191 -28.105 -5.247 1.00 0.00 O ATOM 1165 CB GLU A 76 11.485 -26.361 -7.347 1.00 0.00 C ATOM 1166 CG GLU A 76 10.426 -25.401 -7.863 1.00 0.00 C ATOM 1167 CD GLU A 76 10.586 -25.093 -9.339 1.00 0.00 C ATOM 1168 OE1 GLU A 76 11.706 -24.720 -9.749 1.00 0.00 O ATOM 1169 OE2 GLU A 76 9.592 -25.225 -10.084 1.00 0.00 O ATOM 0 H GLU A 76 11.171 -24.650 -5.324 1.00 0.00 H new ATOM 0 HA GLU A 76 10.736 -27.551 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 76 12.471 -25.939 -7.543 1.00 0.00 H new ATOM 0 HB3 GLU A 76 11.421 -27.294 -7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.438 -25.829 -7.690 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.475 -24.472 -7.295 1.00 0.00 H new ATOM 1176 N GLY A 77 13.400 -25.908 -4.817 1.00 0.00 N ATOM 1177 CA GLY A 77 14.725 -26.049 -4.244 1.00 0.00 C ATOM 1178 C GLY A 77 15.664 -24.933 -4.663 1.00 0.00 C ATOM 1179 O GLY A 77 16.737 -24.767 -4.083 1.00 0.00 O ATOM 0 H GLY A 77 13.041 -24.953 -4.831 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.647 -26.064 -3.157 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.148 -27.007 -4.547 1.00 0.00 H new ATOM 1183 N ASN A 78 15.262 -24.165 -5.673 1.00 0.00 N ATOM 1184 CA ASN A 78 16.078 -23.061 -6.165 1.00 0.00 C ATOM 1185 C ASN A 78 16.104 -21.914 -5.160 1.00 0.00 C ATOM 1186 O ASN A 78 15.263 -21.842 -4.264 1.00 0.00 O ATOM 1187 CB ASN A 78 15.544 -22.564 -7.509 1.00 0.00 C ATOM 1188 CG ASN A 78 16.064 -23.382 -8.676 1.00 0.00 C ATOM 1189 OD1 ASN A 78 17.237 -23.290 -9.039 1.00 0.00 O ATOM 1190 ND2 ASN A 78 15.192 -24.187 -9.269 1.00 0.00 N ATOM 0 H ASN A 78 14.377 -24.288 -6.165 1.00 0.00 H new ATOM 0 HA ASN A 78 17.096 -23.426 -6.299 1.00 0.00 H new ATOM 0 HB2 ASN A 78 14.455 -22.601 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 78 15.827 -21.520 -7.646 1.00 0.00 H new ATOM 0 HD21 ASN A 78 15.484 -24.762 -10.059 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.229 -24.231 -8.934 1.00 0.00 H new ATOM 1197 N GLU A 79 17.074 -21.020 -5.315 1.00 0.00 N ATOM 1198 CA GLU A 79 17.209 -19.877 -4.419 1.00 0.00 C ATOM 1199 C GLU A 79 16.764 -18.590 -5.107 1.00 0.00 C ATOM 1200 O GLU A 79 17.165 -18.307 -6.236 1.00 0.00 O ATOM 1201 CB GLU A 79 18.659 -19.742 -3.947 1.00 0.00 C ATOM 1202 CG GLU A 79 19.638 -19.434 -5.067 1.00 0.00 C ATOM 1203 CD GLU A 79 21.082 -19.480 -4.608 1.00 0.00 C ATOM 1204 OE1 GLU A 79 21.481 -20.498 -4.005 1.00 0.00 O ATOM 1205 OE2 GLU A 79 21.814 -18.497 -4.852 1.00 0.00 O ATOM 0 H GLU A 79 17.778 -21.064 -6.052 1.00 0.00 H new ATOM 0 HA GLU A 79 16.566 -20.046 -3.555 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.716 -18.952 -3.198 1.00 0.00 H new ATOM 0 HB3 GLU A 79 18.960 -20.668 -3.457 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.495 -20.150 -5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.421 -18.446 -5.473 1.00 0.00 H new ATOM 1212 N VAL A 80 15.934 -17.814 -4.418 1.00 0.00 N ATOM 1213 CA VAL A 80 15.435 -16.557 -4.962 1.00 0.00 C ATOM 1214 C VAL A 80 15.112 -15.566 -3.847 1.00 0.00 C ATOM 1215 O VAL A 80 15.371 -15.833 -2.673 1.00 0.00 O ATOM 1216 CB VAL A 80 14.176 -16.777 -5.826 1.00 0.00 C ATOM 1217 CG1 VAL A 80 14.471 -17.748 -6.959 1.00 0.00 C ATOM 1218 CG2 VAL A 80 13.017 -17.277 -4.975 1.00 0.00 C ATOM 0 H VAL A 80 15.593 -18.034 -3.482 1.00 0.00 H new ATOM 0 HA VAL A 80 16.226 -16.147 -5.589 1.00 0.00 H new ATOM 0 HB VAL A 80 13.887 -15.820 -6.260 1.00 0.00 H new ATOM 0 HG11 VAL A 80 13.572 -17.892 -7.558 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.265 -17.344 -7.587 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.788 -18.705 -6.545 1.00 0.00 H new ATOM 0 HG21 VAL A 80 12.140 -17.425 -5.605 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.291 -18.222 -4.507 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.789 -16.542 -4.203 1.00 0.00 H new ATOM 1228 N VAL A 81 14.544 -14.425 -4.221 1.00 0.00 N ATOM 1229 CA VAL A 81 14.185 -13.398 -3.252 1.00 0.00 C ATOM 1230 C VAL A 81 12.674 -13.357 -3.033 1.00 0.00 C ATOM 1231 O VAL A 81 11.906 -13.233 -3.988 1.00 0.00 O ATOM 1232 CB VAL A 81 14.663 -12.006 -3.706 1.00 0.00 C ATOM 1233 CG1 VAL A 81 14.466 -10.984 -2.597 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.121 -12.058 -4.142 1.00 0.00 C ATOM 0 H VAL A 81 14.323 -14.189 -5.188 1.00 0.00 H new ATOM 0 HA VAL A 81 14.681 -13.657 -2.316 1.00 0.00 H new ATOM 0 HB VAL A 81 14.062 -11.697 -4.562 1.00 0.00 H new ATOM 0 HG11 VAL A 81 14.810 -10.007 -2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.409 -10.927 -2.338 1.00 0.00 H new ATOM 0 HG13 VAL A 81 15.038 -11.285 -1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 81 16.441 -11.066 -4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 81 16.739 -12.389 -3.307 1.00 0.00 H new ATOM 0 HG23 VAL A 81 16.228 -12.757 -4.972 1.00 0.00 H new ATOM 1244 N PRO A 82 12.221 -13.463 -1.770 1.00 0.00 N ATOM 1245 CA PRO A 82 10.792 -13.440 -1.442 1.00 0.00 C ATOM 1246 C PRO A 82 10.155 -12.080 -1.708 1.00 0.00 C ATOM 1247 O PRO A 82 10.600 -11.061 -1.179 1.00 0.00 O ATOM 1248 CB PRO A 82 10.758 -13.760 0.051 1.00 0.00 C ATOM 1249 CG PRO A 82 12.092 -13.344 0.552 1.00 0.00 C ATOM 1250 CD PRO A 82 13.056 -13.615 -0.567 1.00 0.00 C ATOM 0 HA PRO A 82 10.228 -14.144 -2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 82 9.958 -13.217 0.555 1.00 0.00 H new ATOM 0 HB3 PRO A 82 10.582 -14.821 0.225 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.095 -12.288 0.823 1.00 0.00 H new ATOM 0 HG3 PRO A 82 12.365 -13.904 1.447 1.00 0.00 H new ATOM 0 HD2 PRO A 82 13.888 -12.911 -0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 82 13.484 -14.615 -0.497 1.00 0.00 H new ATOM 1258 N LYS A 83 9.112 -12.073 -2.530 1.00 0.00 N ATOM 1259 CA LYS A 83 8.412 -10.838 -2.866 1.00 0.00 C ATOM 1260 C LYS A 83 7.835 -10.185 -1.613 1.00 0.00 C ATOM 1261 O LYS A 83 7.499 -10.868 -0.645 1.00 0.00 O ATOM 1262 CB LYS A 83 7.294 -11.118 -3.872 1.00 0.00 C ATOM 1263 CG LYS A 83 7.796 -11.353 -5.288 1.00 0.00 C ATOM 1264 CD LYS A 83 7.181 -12.601 -5.899 1.00 0.00 C ATOM 1265 CE LYS A 83 5.876 -12.287 -6.614 1.00 0.00 C ATOM 1266 NZ LYS A 83 6.100 -11.914 -8.038 1.00 0.00 N ATOM 0 H LYS A 83 8.732 -12.908 -2.976 1.00 0.00 H new ATOM 0 HA LYS A 83 9.130 -10.151 -3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 83 6.732 -11.993 -3.544 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.601 -10.277 -3.876 1.00 0.00 H new ATOM 0 HG2 LYS A 83 7.558 -10.488 -5.907 1.00 0.00 H new ATOM 0 HG3 LYS A 83 8.882 -11.449 -5.279 1.00 0.00 H new ATOM 0 HD2 LYS A 83 7.884 -13.047 -6.602 1.00 0.00 H new ATOM 0 HD3 LYS A 83 7.000 -13.339 -5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.217 -13.154 -6.565 1.00 0.00 H new ATOM 0 HE3 LYS A 83 5.368 -11.471 -6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 5.187 -11.707 -8.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.708 -11.071 -8.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.562 -12.702 -8.535 1.00 0.00 H new ATOM 1280 N PRO A 84 7.711 -8.846 -1.614 1.00 0.00 N ATOM 1281 CA PRO A 84 7.173 -8.102 -0.472 1.00 0.00 C ATOM 1282 C PRO A 84 5.659 -8.237 -0.351 1.00 0.00 C ATOM 1283 O PRO A 84 4.921 -7.912 -1.280 1.00 0.00 O ATOM 1284 CB PRO A 84 7.555 -6.659 -0.788 1.00 0.00 C ATOM 1285 CG PRO A 84 7.583 -6.606 -2.270 1.00 0.00 C ATOM 1286 CD PRO A 84 8.086 -7.951 -2.724 1.00 0.00 C ATOM 0 HA PRO A 84 7.566 -8.468 0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.830 -5.956 -0.378 1.00 0.00 H new ATOM 0 HB3 PRO A 84 8.525 -6.401 -0.362 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.590 -6.405 -2.672 1.00 0.00 H new ATOM 0 HG3 PRO A 84 8.236 -5.807 -2.620 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.623 -8.258 -3.662 1.00 0.00 H new ATOM 0 HD3 PRO A 84 9.164 -7.943 -2.888 1.00 0.00 H new ATOM 1294 N GLN A 85 5.201 -8.717 0.802 1.00 0.00 N ATOM 1295 CA GLN A 85 3.773 -8.889 1.040 1.00 0.00 C ATOM 1296 C GLN A 85 3.033 -7.570 0.854 1.00 0.00 C ATOM 1297 O GLN A 85 3.246 -6.615 1.601 1.00 0.00 O ATOM 1298 CB GLN A 85 3.529 -9.429 2.451 1.00 0.00 C ATOM 1299 CG GLN A 85 4.293 -10.707 2.755 1.00 0.00 C ATOM 1300 CD GLN A 85 5.589 -10.449 3.499 1.00 0.00 C ATOM 1301 OE1 GLN A 85 5.594 -9.831 4.563 1.00 0.00 O ATOM 1302 NE2 GLN A 85 6.697 -10.923 2.940 1.00 0.00 N ATOM 0 H GLN A 85 5.796 -8.993 1.583 1.00 0.00 H new ATOM 0 HA GLN A 85 3.392 -9.608 0.315 1.00 0.00 H new ATOM 0 HB2 GLN A 85 3.811 -8.666 3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 85 2.463 -9.614 2.581 1.00 0.00 H new ATOM 0 HG2 GLN A 85 3.663 -11.370 3.349 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.511 -11.226 1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.646 -11.430 2.056 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.599 -10.780 3.394 1.00 0.00 H new ATOM 1311 N ARG A 86 2.168 -7.520 -0.153 1.00 0.00 N ATOM 1312 CA ARG A 86 1.404 -6.312 -0.441 1.00 0.00 C ATOM 1313 C ARG A 86 -0.086 -6.616 -0.552 1.00 0.00 C ATOM 1314 O ARG A 86 -0.490 -7.775 -0.653 1.00 0.00 O ATOM 1315 CB ARG A 86 1.901 -5.669 -1.737 1.00 0.00 C ATOM 1316 CG ARG A 86 1.783 -6.577 -2.950 1.00 0.00 C ATOM 1317 CD ARG A 86 2.595 -6.050 -4.122 1.00 0.00 C ATOM 1318 NE ARG A 86 2.673 -7.017 -5.214 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.166 -6.740 -6.418 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.627 -5.525 -6.689 1.00 0.00 N ATOM 1321 NH2 ARG A 86 3.200 -7.678 -7.354 1.00 0.00 N ATOM 0 H ARG A 86 1.979 -8.300 -0.782 1.00 0.00 H new ATOM 0 HA ARG A 86 1.551 -5.617 0.386 1.00 0.00 H new ATOM 0 HB2 ARG A 86 1.335 -4.756 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 86 2.944 -5.377 -1.612 1.00 0.00 H new ATOM 0 HG2 ARG A 86 2.125 -7.579 -2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.736 -6.663 -3.241 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.146 -5.126 -4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.601 -5.803 -3.784 1.00 0.00 H new ATOM 0 HE ARG A 86 2.329 -7.962 -5.043 1.00 0.00 H new ATOM 0 HH11 ARG A 86 3.604 -4.799 -5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.004 -5.317 -7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 86 2.848 -8.614 -7.151 1.00 0.00 H new ATOM 0 HH22 ARG A 86 3.578 -7.464 -8.277 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.898 -5.563 -0.538 1.00 0.00 N ATOM 1336 CA HIS A 87 -2.345 -5.708 -0.640 1.00 0.00 C ATOM 1337 C HIS A 87 -2.892 -4.831 -1.762 1.00 0.00 C ATOM 1338 O HIS A 87 -2.570 -3.646 -1.850 1.00 0.00 O ATOM 1339 CB HIS A 87 -3.015 -5.338 0.685 1.00 0.00 C ATOM 1340 CG HIS A 87 -2.268 -5.817 1.891 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -2.240 -7.140 2.284 1.00 0.00 N ATOM 1342 CD2 HIS A 87 -1.514 -5.143 2.793 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -1.503 -7.257 3.374 1.00 0.00 C ATOM 1344 NE2 HIS A 87 -1.051 -6.062 3.703 1.00 0.00 N ATOM 0 H HIS A 87 -0.577 -4.598 -0.457 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.568 -6.750 -0.868 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -3.119 -4.254 0.739 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.022 -5.756 0.702 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -1.314 -4.082 2.796 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -1.304 -8.176 3.906 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -0.454 -5.854 4.504 1.00 0.00 H new ATOM 1353 N MET A 88 -3.717 -5.421 -2.619 1.00 0.00 N ATOM 1354 CA MET A 88 -4.303 -4.689 -3.737 1.00 0.00 C ATOM 1355 C MET A 88 -5.597 -3.997 -3.320 1.00 0.00 C ATOM 1356 O MET A 88 -6.611 -4.651 -3.072 1.00 0.00 O ATOM 1357 CB MET A 88 -4.572 -5.636 -4.908 1.00 0.00 C ATOM 1358 CG MET A 88 -4.945 -4.919 -6.196 1.00 0.00 C ATOM 1359 SD MET A 88 -4.158 -5.641 -7.649 1.00 0.00 S ATOM 1360 CE MET A 88 -3.340 -4.205 -8.339 1.00 0.00 C ATOM 0 H MET A 88 -3.995 -6.401 -2.562 1.00 0.00 H new ATOM 0 HA MET A 88 -3.591 -3.926 -4.051 1.00 0.00 H new ATOM 0 HB2 MET A 88 -3.685 -6.244 -5.084 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.377 -6.318 -4.635 1.00 0.00 H new ATOM 0 HG2 MET A 88 -6.027 -4.948 -6.322 1.00 0.00 H new ATOM 0 HG3 MET A 88 -4.661 -3.870 -6.118 1.00 0.00 H new ATOM 0 HE1 MET A 88 -2.555 -4.527 -9.023 1.00 0.00 H new ATOM 0 HE2 MET A 88 -4.066 -3.598 -8.880 1.00 0.00 H new ATOM 0 HE3 MET A 88 -2.901 -3.615 -7.535 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.554 -2.672 -3.249 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.723 -1.888 -2.868 1.00 0.00 C ATOM 1372 C PHE A 89 -7.259 -1.106 -4.063 1.00 0.00 C ATOM 1373 O PHE A 89 -6.505 -0.429 -4.762 1.00 0.00 O ATOM 1374 CB PHE A 89 -6.372 -0.924 -1.733 1.00 0.00 C ATOM 1375 CG PHE A 89 -5.883 -1.608 -0.488 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -6.657 -2.572 0.139 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -4.650 -1.286 0.056 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -6.210 -3.201 1.285 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -4.198 -1.912 1.202 1.00 0.00 C ATOM 1380 CZ PHE A 89 -4.979 -2.871 1.818 1.00 0.00 C ATOM 0 H PHE A 89 -4.722 -2.117 -3.450 1.00 0.00 H new ATOM 0 HA PHE A 89 -7.495 -2.576 -2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.606 -0.231 -2.081 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -7.252 -0.329 -1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -7.620 -2.834 -0.273 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.035 -0.537 -0.421 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -6.823 -3.950 1.764 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -3.235 -1.652 1.616 1.00 0.00 H new ATOM 0 HZ PHE A 89 -4.628 -3.361 2.714 1.00 0.00 H new ATOM 1390 N SER A 90 -8.564 -1.204 -4.293 1.00 0.00 N ATOM 1391 CA SER A 90 -9.197 -0.504 -5.405 1.00 0.00 C ATOM 1392 C SER A 90 -10.123 0.597 -4.900 1.00 0.00 C ATOM 1393 O SER A 90 -11.042 0.341 -4.121 1.00 0.00 O ATOM 1394 CB SER A 90 -9.977 -1.489 -6.279 1.00 0.00 C ATOM 1395 OG SER A 90 -11.288 -1.693 -5.780 1.00 0.00 O ATOM 0 H SER A 90 -9.203 -1.760 -3.725 1.00 0.00 H new ATOM 0 HA SER A 90 -8.413 -0.043 -6.005 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.029 -1.111 -7.300 1.00 0.00 H new ATOM 0 HB3 SER A 90 -9.448 -2.441 -6.318 1.00 0.00 H new ATOM 0 HG SER A 90 -11.764 -2.325 -6.359 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.873 1.823 -5.346 1.00 0.00 N ATOM 1402 CA PHE A 91 -10.684 2.964 -4.939 1.00 0.00 C ATOM 1403 C PHE A 91 -11.696 3.323 -6.025 1.00 0.00 C ATOM 1404 O PHE A 91 -11.546 2.925 -7.180 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.786 4.161 -4.630 1.00 0.00 C ATOM 1406 CG PHE A 91 -9.000 4.002 -3.359 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -8.136 2.932 -3.195 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.128 4.919 -2.327 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.413 2.778 -2.027 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.408 4.771 -1.157 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.550 3.699 -1.007 1.00 0.00 C ATOM 0 H PHE A 91 -9.115 2.052 -5.989 1.00 0.00 H new ATOM 0 HA PHE A 91 -11.235 2.694 -4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -9.095 4.312 -5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.400 5.059 -4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -8.026 2.209 -3.990 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -9.798 5.759 -2.439 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.742 1.939 -1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.516 5.493 -0.361 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.987 3.581 -0.093 1.00 0.00 H new ATOM 1421 N ASN A 92 -12.734 4.066 -5.647 1.00 0.00 N ATOM 1422 CA ASN A 92 -13.771 4.459 -6.596 1.00 0.00 C ATOM 1423 C ASN A 92 -14.143 5.934 -6.447 1.00 0.00 C ATOM 1424 O ASN A 92 -15.322 6.280 -6.362 1.00 0.00 O ATOM 1425 CB ASN A 92 -15.014 3.588 -6.406 1.00 0.00 C ATOM 1426 CG ASN A 92 -14.934 2.288 -7.185 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -14.428 2.253 -8.305 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -15.435 1.212 -6.592 1.00 0.00 N ATOM 0 H ASN A 92 -12.878 4.406 -4.696 1.00 0.00 H new ATOM 0 HA ASN A 92 -13.373 4.313 -7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -15.140 3.366 -5.346 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -15.896 4.144 -6.723 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -15.409 0.310 -7.067 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -15.846 1.287 -5.661 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.136 6.801 -6.428 1.00 0.00 N ATOM 1436 CA ASN A 93 -13.366 8.236 -6.304 1.00 0.00 C ATOM 1437 C ASN A 93 -12.048 9.005 -6.346 1.00 0.00 C ATOM 1438 O ASN A 93 -10.986 8.454 -6.056 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.120 8.549 -5.007 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.399 9.325 -5.256 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -16.206 8.956 -6.109 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -15.589 10.406 -4.509 1.00 0.00 N ATOM 0 H ASN A 93 -12.154 6.535 -6.497 1.00 0.00 H new ATOM 0 HA ASN A 93 -13.976 8.554 -7.150 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.357 7.617 -4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.473 9.123 -4.343 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -16.431 10.968 -4.630 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -14.893 10.674 -3.814 1.00 0.00 H new ATOM 1449 N ARG A 94 -12.126 10.280 -6.714 1.00 0.00 N ATOM 1450 CA ARG A 94 -10.940 11.126 -6.800 1.00 0.00 C ATOM 1451 C ARG A 94 -10.462 11.545 -5.414 1.00 0.00 C ATOM 1452 O ARG A 94 -9.260 11.650 -5.167 1.00 0.00 O ATOM 1453 CB ARG A 94 -11.233 12.367 -7.646 1.00 0.00 C ATOM 1454 CG ARG A 94 -12.517 13.079 -7.254 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.558 14.495 -7.807 1.00 0.00 C ATOM 1456 NE ARG A 94 -13.344 15.391 -6.961 1.00 0.00 N ATOM 1457 CZ ARG A 94 -13.769 16.591 -7.348 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -13.486 17.045 -8.563 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -14.479 17.343 -6.517 1.00 0.00 N ATOM 0 H ARG A 94 -12.998 10.750 -6.957 1.00 0.00 H new ATOM 0 HA ARG A 94 -10.149 10.546 -7.275 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -10.399 13.063 -7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -11.294 12.076 -8.695 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -13.374 12.517 -7.625 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.601 13.109 -6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.542 14.879 -7.896 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.982 14.480 -8.811 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.580 15.078 -6.019 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.939 16.473 -9.207 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.815 17.966 -8.853 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -14.699 17.001 -5.581 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -14.805 18.263 -6.814 1.00 0.00 H new ATOM 1473 N THR A 95 -11.407 11.787 -4.514 1.00 0.00 N ATOM 1474 CA THR A 95 -11.082 12.197 -3.156 1.00 0.00 C ATOM 1475 C THR A 95 -10.639 11.001 -2.317 1.00 0.00 C ATOM 1476 O THR A 95 -9.655 11.077 -1.580 1.00 0.00 O ATOM 1477 CB THR A 95 -12.285 12.899 -2.524 1.00 0.00 C ATOM 1478 OG1 THR A 95 -12.104 14.304 -2.534 1.00 0.00 O ATOM 1479 CG2 THR A 95 -12.560 12.489 -1.094 1.00 0.00 C ATOM 0 H THR A 95 -12.406 11.706 -4.702 1.00 0.00 H new ATOM 0 HA THR A 95 -10.249 12.899 -3.190 1.00 0.00 H new ATOM 0 HB THR A 95 -13.136 12.595 -3.134 1.00 0.00 H new ATOM 0 HG1 THR A 95 -12.884 14.737 -2.128 1.00 0.00 H new ATOM 0 HG21 THR A 95 -13.428 13.032 -0.720 1.00 0.00 H new ATOM 0 HG22 THR A 95 -12.757 11.418 -1.054 1.00 0.00 H new ATOM 0 HG23 THR A 95 -11.693 12.721 -0.476 1.00 0.00 H new ATOM 1487 N VAL A 96 -11.370 9.897 -2.433 1.00 0.00 N ATOM 1488 CA VAL A 96 -11.049 8.687 -1.685 1.00 0.00 C ATOM 1489 C VAL A 96 -9.638 8.202 -2.005 1.00 0.00 C ATOM 1490 O VAL A 96 -8.871 7.856 -1.107 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.055 7.558 -1.982 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -11.988 7.149 -3.444 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -11.801 6.363 -1.075 1.00 0.00 C ATOM 0 H VAL A 96 -12.188 9.815 -3.037 1.00 0.00 H new ATOM 0 HA VAL A 96 -11.109 8.942 -0.627 1.00 0.00 H new ATOM 0 HB VAL A 96 -13.059 7.932 -1.781 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -12.706 6.351 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -12.226 8.007 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.984 6.796 -3.677 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.521 5.576 -1.300 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -10.791 5.989 -1.241 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -11.909 6.667 -0.034 1.00 0.00 H new ATOM 1503 N MET A 97 -9.301 8.184 -3.291 1.00 0.00 N ATOM 1504 CA MET A 97 -7.981 7.746 -3.727 1.00 0.00 C ATOM 1505 C MET A 97 -6.913 8.725 -3.270 1.00 0.00 C ATOM 1506 O MET A 97 -5.799 8.336 -2.920 1.00 0.00 O ATOM 1507 CB MET A 97 -7.942 7.607 -5.250 1.00 0.00 C ATOM 1508 CG MET A 97 -8.282 8.891 -5.988 1.00 0.00 C ATOM 1509 SD MET A 97 -6.837 9.932 -6.272 1.00 0.00 S ATOM 1510 CE MET A 97 -5.789 8.810 -7.195 1.00 0.00 C ATOM 0 H MET A 97 -9.923 8.467 -4.048 1.00 0.00 H new ATOM 0 HA MET A 97 -7.779 6.774 -3.277 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.947 7.278 -5.551 1.00 0.00 H new ATOM 0 HB3 MET A 97 -8.641 6.828 -5.553 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.741 8.645 -6.945 1.00 0.00 H new ATOM 0 HG3 MET A 97 -9.021 9.450 -5.414 1.00 0.00 H new ATOM 0 HE1 MET A 97 -4.904 8.571 -6.606 1.00 0.00 H new ATOM 0 HE2 MET A 97 -6.339 7.894 -7.412 1.00 0.00 H new ATOM 0 HE3 MET A 97 -5.486 9.281 -8.130 1.00 0.00 H new ATOM 1520 N ASP A 98 -7.270 9.997 -3.274 1.00 0.00 N ATOM 1521 CA ASP A 98 -6.357 11.054 -2.858 1.00 0.00 C ATOM 1522 C ASP A 98 -6.185 11.060 -1.343 1.00 0.00 C ATOM 1523 O ASP A 98 -5.154 11.494 -0.828 1.00 0.00 O ATOM 1524 CB ASP A 98 -6.871 12.415 -3.331 1.00 0.00 C ATOM 1525 CG ASP A 98 -6.345 12.788 -4.703 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -5.115 12.951 -4.844 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -7.164 12.915 -5.638 1.00 0.00 O ATOM 0 H ASP A 98 -8.191 10.327 -3.562 1.00 0.00 H new ATOM 0 HA ASP A 98 -5.386 10.862 -3.314 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.961 12.400 -3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.578 13.180 -2.612 1.00 0.00 H new ATOM 1532 N ASN A 99 -7.201 10.578 -0.632 1.00 0.00 N ATOM 1533 CA ASN A 99 -7.157 10.531 0.825 1.00 0.00 C ATOM 1534 C ASN A 99 -6.031 9.622 1.307 1.00 0.00 C ATOM 1535 O ASN A 99 -5.063 10.086 1.907 1.00 0.00 O ATOM 1536 CB ASN A 99 -8.495 10.042 1.381 1.00 0.00 C ATOM 1537 CG ASN A 99 -9.466 11.180 1.633 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -9.081 12.349 1.646 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -10.735 10.841 1.833 1.00 0.00 N ATOM 0 H ASN A 99 -8.062 10.216 -1.041 1.00 0.00 H new ATOM 0 HA ASN A 99 -6.966 11.540 1.190 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -8.941 9.336 0.680 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -8.323 9.502 2.312 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -11.435 11.563 2.006 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -11.010 9.859 1.813 1.00 0.00 H new ATOM 1546 N ILE A 100 -6.163 8.328 1.037 1.00 0.00 N ATOM 1547 CA ILE A 100 -5.154 7.355 1.444 1.00 0.00 C ATOM 1548 C ILE A 100 -3.786 7.717 0.869 1.00 0.00 C ATOM 1549 O ILE A 100 -2.772 7.645 1.562 1.00 0.00 O ATOM 1550 CB ILE A 100 -5.547 5.922 1.002 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -6.388 5.244 2.086 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -4.316 5.078 0.689 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.597 6.045 2.514 1.00 0.00 C ATOM 0 H ILE A 100 -6.958 7.928 0.538 1.00 0.00 H new ATOM 0 HA ILE A 100 -5.097 7.379 2.532 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.138 6.005 0.090 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -6.719 4.272 1.720 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.760 5.059 2.957 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.628 4.080 0.382 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.750 5.545 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.689 5.005 1.578 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -8.141 5.499 3.284 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -7.274 7.007 2.911 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.248 6.207 1.655 1.00 0.00 H new ATOM 1565 N LYS A 101 -3.768 8.104 -0.403 1.00 0.00 N ATOM 1566 CA LYS A 101 -2.528 8.474 -1.078 1.00 0.00 C ATOM 1567 C LYS A 101 -1.670 9.389 -0.208 1.00 0.00 C ATOM 1568 O LYS A 101 -0.513 9.082 0.083 1.00 0.00 O ATOM 1569 CB LYS A 101 -2.837 9.163 -2.409 1.00 0.00 C ATOM 1570 CG LYS A 101 -1.597 9.495 -3.225 1.00 0.00 C ATOM 1571 CD LYS A 101 -1.149 10.930 -2.998 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.707 11.862 -4.060 1.00 0.00 C ATOM 1573 NZ LYS A 101 -0.913 13.117 -4.170 1.00 0.00 N ATOM 0 H LYS A 101 -4.601 8.170 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 101 -1.966 7.559 -1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -3.489 8.519 -2.999 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -3.390 10.082 -2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -0.790 8.814 -2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -1.805 9.341 -4.284 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.475 11.263 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.060 10.978 -3.006 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.715 11.352 -5.023 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.742 12.107 -3.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -1.326 13.726 -4.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -0.926 13.617 -3.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 0.069 12.886 -4.423 1.00 0.00 H new ATOM 1587 N MET A 102 -2.242 10.517 0.203 1.00 0.00 N ATOM 1588 CA MET A 102 -1.526 11.475 1.036 1.00 0.00 C ATOM 1589 C MET A 102 -1.592 11.091 2.508 1.00 0.00 C ATOM 1590 O MET A 102 -0.605 11.195 3.235 1.00 0.00 O ATOM 1591 CB MET A 102 -2.095 12.882 0.838 1.00 0.00 C ATOM 1592 CG MET A 102 -3.528 13.032 1.320 1.00 0.00 C ATOM 1593 SD MET A 102 -4.343 14.487 0.633 1.00 0.00 S ATOM 1594 CE MET A 102 -4.156 14.184 -1.122 1.00 0.00 C ATOM 0 H MET A 102 -3.198 10.789 -0.027 1.00 0.00 H new ATOM 0 HA MET A 102 -0.480 11.464 0.729 1.00 0.00 H new ATOM 0 HB2 MET A 102 -1.466 13.597 1.368 1.00 0.00 H new ATOM 0 HB3 MET A 102 -2.048 13.138 -0.220 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.094 12.141 1.048 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.537 13.095 2.408 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.407 14.862 -1.530 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.839 13.154 -1.282 1.00 0.00 H new ATOM 0 HE3 MET A 102 -5.109 14.352 -1.624 1.00 0.00 H new ATOM 1604 N THR A 103 -2.765 10.656 2.939 1.00 0.00 N ATOM 1605 CA THR A 103 -2.978 10.262 4.330 1.00 0.00 C ATOM 1606 C THR A 103 -1.949 9.233 4.780 1.00 0.00 C ATOM 1607 O THR A 103 -1.148 9.502 5.672 1.00 0.00 O ATOM 1608 CB THR A 103 -4.395 9.713 4.520 1.00 0.00 C ATOM 1609 OG1 THR A 103 -5.359 10.719 4.266 1.00 0.00 O ATOM 1610 CG2 THR A 103 -4.654 9.176 5.912 1.00 0.00 C ATOM 0 H THR A 103 -3.590 10.565 2.346 1.00 0.00 H new ATOM 0 HA THR A 103 -2.857 11.151 4.949 1.00 0.00 H new ATOM 0 HB THR A 103 -4.480 8.890 3.810 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.377 10.920 3.307 1.00 0.00 H new ATOM 0 HG21 THR A 103 -5.677 8.804 5.974 1.00 0.00 H new ATOM 0 HG22 THR A 103 -3.959 8.364 6.124 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.513 9.973 6.642 1.00 0.00 H new ATOM 1618 N LEU A 104 -1.964 8.056 4.165 1.00 0.00 N ATOM 1619 CA LEU A 104 -1.013 7.013 4.526 1.00 0.00 C ATOM 1620 C LEU A 104 0.401 7.582 4.541 1.00 0.00 C ATOM 1621 O LEU A 104 1.177 7.323 5.460 1.00 0.00 O ATOM 1622 CB LEU A 104 -1.104 5.834 3.555 1.00 0.00 C ATOM 1623 CG LEU A 104 -2.007 4.689 4.018 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -3.464 5.124 4.013 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -1.810 3.462 3.139 1.00 0.00 C ATOM 0 H LEU A 104 -2.616 7.802 3.423 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.259 6.649 5.523 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.468 6.200 2.595 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.101 5.442 3.387 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.731 4.425 5.039 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.092 4.297 4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -3.593 5.971 4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.753 5.416 3.003 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.461 2.659 3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.057 3.710 2.107 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.771 3.137 3.196 1.00 0.00 H new ATOM 1637 N GLN A 105 0.712 8.380 3.522 1.00 0.00 N ATOM 1638 CA GLN A 105 2.021 9.016 3.405 1.00 0.00 C ATOM 1639 C GLN A 105 2.395 9.733 4.696 1.00 0.00 C ATOM 1640 O GLN A 105 3.539 9.668 5.144 1.00 0.00 O ATOM 1641 CB GLN A 105 2.027 9.999 2.233 1.00 0.00 C ATOM 1642 CG GLN A 105 3.104 9.707 1.203 1.00 0.00 C ATOM 1643 CD GLN A 105 3.082 10.682 0.042 1.00 0.00 C ATOM 1644 OE1 GLN A 105 4.055 11.396 -0.203 1.00 0.00 O ATOM 1645 NE2 GLN A 105 1.967 10.719 -0.679 1.00 0.00 N ATOM 0 H GLN A 105 0.070 8.602 2.761 1.00 0.00 H new ATOM 0 HA GLN A 105 2.763 8.239 3.220 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.053 9.976 1.745 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.167 11.009 2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.081 9.744 1.685 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.973 8.694 0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.185 10.109 -0.440 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.893 11.357 -1.471 1.00 0.00 H new ATOM 1654 N GLN A 106 1.421 10.407 5.297 1.00 0.00 N ATOM 1655 CA GLN A 106 1.657 11.122 6.548 1.00 0.00 C ATOM 1656 C GLN A 106 2.210 10.168 7.598 1.00 0.00 C ATOM 1657 O GLN A 106 2.998 10.556 8.460 1.00 0.00 O ATOM 1658 CB GLN A 106 0.369 11.779 7.050 1.00 0.00 C ATOM 1659 CG GLN A 106 0.147 13.197 6.537 1.00 0.00 C ATOM 1660 CD GLN A 106 0.775 13.458 5.179 1.00 0.00 C ATOM 1661 OE1 GLN A 106 0.118 13.341 4.145 1.00 0.00 O ATOM 1662 NE2 GLN A 106 2.053 13.817 5.176 1.00 0.00 N ATOM 0 H GLN A 106 0.467 10.474 4.942 1.00 0.00 H new ATOM 0 HA GLN A 106 2.389 11.908 6.364 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -0.479 11.161 6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 106 0.385 11.798 8.140 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.924 13.388 6.475 1.00 0.00 H new ATOM 0 HG3 GLN A 106 0.556 13.904 7.259 1.00 0.00 H new ATOM 0 HE21 GLN A 106 2.561 13.902 6.056 1.00 0.00 H new ATOM 0 HE22 GLN A 106 2.527 14.008 4.293 1.00 0.00 H new ATOM 1671 N ILE A 107 1.808 8.909 7.492 1.00 0.00 N ATOM 1672 CA ILE A 107 2.272 7.873 8.400 1.00 0.00 C ATOM 1673 C ILE A 107 3.599 7.315 7.896 1.00 0.00 C ATOM 1674 O ILE A 107 4.503 7.013 8.675 1.00 0.00 O ATOM 1675 CB ILE A 107 1.243 6.730 8.522 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -0.056 7.248 9.148 1.00 0.00 C ATOM 1677 CG2 ILE A 107 1.812 5.583 9.340 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -1.182 7.414 8.152 1.00 0.00 C ATOM 0 H ILE A 107 1.156 8.580 6.780 1.00 0.00 H new ATOM 0 HA ILE A 107 2.403 8.317 9.387 1.00 0.00 H new ATOM 0 HB ILE A 107 1.020 6.357 7.522 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -0.373 6.559 9.931 1.00 0.00 H new ATOM 0 HG13 ILE A 107 0.139 8.207 9.628 1.00 0.00 H new ATOM 0 HG21 ILE A 107 1.071 4.787 9.415 1.00 0.00 H new ATOM 0 HG22 ILE A 107 2.709 5.200 8.854 1.00 0.00 H new ATOM 0 HG23 ILE A 107 2.064 5.939 10.339 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -2.070 7.784 8.665 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -0.885 8.126 7.382 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.404 6.452 7.690 1.00 0.00 H new ATOM 1690 N ILE A 108 3.704 7.207 6.577 1.00 0.00 N ATOM 1691 CA ILE A 108 4.916 6.717 5.932 1.00 0.00 C ATOM 1692 C ILE A 108 6.103 7.581 6.325 1.00 0.00 C ATOM 1693 O ILE A 108 7.063 7.109 6.935 1.00 0.00 O ATOM 1694 CB ILE A 108 4.771 6.749 4.399 1.00 0.00 C ATOM 1695 CG1 ILE A 108 3.506 6.011 3.975 1.00 0.00 C ATOM 1696 CG2 ILE A 108 5.995 6.156 3.725 1.00 0.00 C ATOM 1697 CD1 ILE A 108 3.411 5.756 2.484 1.00 0.00 C ATOM 0 H ILE A 108 2.957 7.455 5.928 1.00 0.00 H new ATOM 0 HA ILE A 108 5.076 5.690 6.259 1.00 0.00 H new ATOM 0 HB ILE A 108 4.689 7.789 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 108 3.461 5.057 4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 108 2.637 6.589 4.290 1.00 0.00 H new ATOM 0 HG21 ILE A 108 5.867 6.191 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 108 6.878 6.730 4.005 1.00 0.00 H new ATOM 0 HG23 ILE A 108 6.120 5.121 4.043 1.00 0.00 H new ATOM 0 HD11 ILE A 108 2.484 5.227 2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 108 3.422 6.707 1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 108 4.259 5.150 2.164 1.00 0.00 H new ATOM 1709 N SER A 109 6.017 8.855 5.970 1.00 0.00 N ATOM 1710 CA SER A 109 7.072 9.814 6.280 1.00 0.00 C ATOM 1711 C SER A 109 7.348 9.854 7.780 1.00 0.00 C ATOM 1712 O SER A 109 8.444 10.213 8.212 1.00 0.00 O ATOM 1713 CB SER A 109 6.690 11.208 5.781 1.00 0.00 C ATOM 1714 OG SER A 109 7.801 12.086 5.817 1.00 0.00 O ATOM 0 H SER A 109 5.225 9.251 5.465 1.00 0.00 H new ATOM 0 HA SER A 109 7.980 9.492 5.770 1.00 0.00 H new ATOM 0 HB2 SER A 109 6.309 11.141 4.762 1.00 0.00 H new ATOM 0 HB3 SER A 109 5.885 11.610 6.397 1.00 0.00 H new ATOM 0 HG SER A 109 8.057 12.252 6.748 1.00 0.00 H new ATOM 1720 N ARG A 110 6.346 9.478 8.568 1.00 0.00 N ATOM 1721 CA ARG A 110 6.471 9.461 10.021 1.00 0.00 C ATOM 1722 C ARG A 110 7.708 8.677 10.455 1.00 0.00 C ATOM 1723 O ARG A 110 8.265 8.920 11.527 1.00 0.00 O ATOM 1724 CB ARG A 110 5.215 8.847 10.646 1.00 0.00 C ATOM 1725 CG ARG A 110 4.679 9.627 11.832 1.00 0.00 C ATOM 1726 CD ARG A 110 3.502 8.915 12.484 1.00 0.00 C ATOM 1727 NE ARG A 110 3.621 8.882 13.939 1.00 0.00 N ATOM 1728 CZ ARG A 110 2.605 8.626 14.760 1.00 0.00 C ATOM 1729 NH1 ARG A 110 1.395 8.381 14.273 1.00 0.00 N ATOM 1730 NH2 ARG A 110 2.800 8.614 16.072 1.00 0.00 N ATOM 0 H ARG A 110 5.434 9.180 8.222 1.00 0.00 H new ATOM 0 HA ARG A 110 6.580 10.489 10.367 1.00 0.00 H new ATOM 0 HB2 ARG A 110 4.437 8.780 9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 110 5.439 7.829 10.964 1.00 0.00 H new ATOM 0 HG2 ARG A 110 5.473 9.766 12.566 1.00 0.00 H new ATOM 0 HG3 ARG A 110 4.369 10.620 11.506 1.00 0.00 H new ATOM 0 HD2 ARG A 110 2.575 9.418 12.207 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.438 7.896 12.102 1.00 0.00 H new ATOM 0 HE ARG A 110 4.536 9.066 14.350 1.00 0.00 H new ATOM 0 HH11 ARG A 110 1.240 8.388 13.265 1.00 0.00 H new ATOM 0 HH12 ARG A 110 0.620 8.185 14.907 1.00 0.00 H new ATOM 0 HH21 ARG A 110 3.728 8.801 16.451 1.00 0.00 H new ATOM 0 HH22 ARG A 110 2.022 8.418 16.701 1.00 0.00 H new ATOM 1744 N TYR A 111 8.131 7.738 9.615 1.00 0.00 N ATOM 1745 CA TYR A 111 9.300 6.915 9.909 1.00 0.00 C ATOM 1746 C TYR A 111 10.566 7.547 9.339 1.00 0.00 C ATOM 1747 O TYR A 111 11.652 7.399 9.898 1.00 0.00 O ATOM 1748 CB TYR A 111 9.116 5.507 9.336 1.00 0.00 C ATOM 1749 CG TYR A 111 7.704 4.979 9.467 1.00 0.00 C ATOM 1750 CD1 TYR A 111 7.152 4.729 10.718 1.00 0.00 C ATOM 1751 CD2 TYR A 111 6.924 4.736 8.344 1.00 0.00 C ATOM 1752 CE1 TYR A 111 5.863 4.250 10.844 1.00 0.00 C ATOM 1753 CE2 TYR A 111 5.633 4.256 8.462 1.00 0.00 C ATOM 1754 CZ TYR A 111 5.108 4.016 9.715 1.00 0.00 C ATOM 1755 OH TYR A 111 3.825 3.540 9.838 1.00 0.00 O ATOM 0 H TYR A 111 7.681 7.527 8.724 1.00 0.00 H new ATOM 0 HA TYR A 111 9.404 6.848 10.992 1.00 0.00 H new ATOM 0 HB2 TYR A 111 9.396 5.513 8.283 1.00 0.00 H new ATOM 0 HB3 TYR A 111 9.798 4.825 9.844 1.00 0.00 H new ATOM 0 HD1 TYR A 111 7.740 4.912 11.605 1.00 0.00 H new ATOM 0 HD2 TYR A 111 7.333 4.925 7.362 1.00 0.00 H new ATOM 0 HE1 TYR A 111 5.448 4.060 11.823 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.039 4.070 7.579 1.00 0.00 H new ATOM 0 HH TYR A 111 3.712 3.128 10.720 1.00 0.00 H new ATOM 1765 N LYS A 112 10.417 8.251 8.222 1.00 0.00 N ATOM 1766 CA LYS A 112 11.548 8.906 7.575 1.00 0.00 C ATOM 1767 C LYS A 112 11.986 10.137 8.360 1.00 0.00 C ATOM 1768 O LYS A 112 13.120 10.212 8.835 1.00 0.00 O ATOM 1769 CB LYS A 112 11.184 9.305 6.143 1.00 0.00 C ATOM 1770 CG LYS A 112 10.411 8.234 5.389 1.00 0.00 C ATOM 1771 CD LYS A 112 10.242 8.595 3.923 1.00 0.00 C ATOM 1772 CE LYS A 112 11.243 7.858 3.048 1.00 0.00 C ATOM 1773 NZ LYS A 112 11.751 8.714 1.941 1.00 0.00 N ATOM 0 H LYS A 112 9.525 8.383 7.746 1.00 0.00 H new ATOM 0 HA LYS A 112 12.377 8.199 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.590 10.219 6.169 1.00 0.00 H new ATOM 0 HB3 LYS A 112 12.098 9.535 5.595 1.00 0.00 H new ATOM 0 HG2 LYS A 112 10.933 7.281 5.472 1.00 0.00 H new ATOM 0 HG3 LYS A 112 9.431 8.101 5.847 1.00 0.00 H new ATOM 0 HD2 LYS A 112 9.229 8.352 3.602 1.00 0.00 H new ATOM 0 HD3 LYS A 112 10.368 9.670 3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 112 12.080 7.521 3.659 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.774 6.967 2.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.431 8.174 1.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.956 9.015 1.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 12.222 9.552 2.338 1.00 0.00 H new ATOM 1787 N ASP A 113 11.080 11.100 8.494 1.00 0.00 N ATOM 1788 CA ASP A 113 11.372 12.328 9.223 1.00 0.00 C ATOM 1789 C ASP A 113 11.738 12.028 10.673 1.00 0.00 C ATOM 1790 O ASP A 113 12.626 12.660 11.244 1.00 0.00 O ATOM 1791 CB ASP A 113 10.171 13.274 9.174 1.00 0.00 C ATOM 1792 CG ASP A 113 10.227 14.218 7.988 1.00 0.00 C ATOM 1793 OD1 ASP A 113 9.869 13.789 6.871 1.00 0.00 O ATOM 1794 OD2 ASP A 113 10.626 15.385 8.177 1.00 0.00 O ATOM 0 H ASP A 113 10.137 11.053 8.107 1.00 0.00 H new ATOM 0 HA ASP A 113 12.225 12.809 8.744 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.253 12.689 9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.131 13.855 10.096 1.00 0.00 H new ATOM 1799 N ALA A 114 11.047 11.058 11.263 1.00 0.00 N ATOM 1800 CA ALA A 114 11.298 10.674 12.646 1.00 0.00 C ATOM 1801 C ALA A 114 12.410 9.633 12.734 1.00 0.00 C ATOM 1802 O ALA A 114 13.498 9.914 13.234 1.00 0.00 O ATOM 1803 CB ALA A 114 10.025 10.143 13.287 1.00 0.00 C ATOM 0 H ALA A 114 10.309 10.524 10.804 1.00 0.00 H new ATOM 0 HA ALA A 114 11.622 11.562 13.189 1.00 0.00 H new ATOM 0 HB1 ALA A 114 10.228 9.860 14.320 1.00 0.00 H new ATOM 0 HB2 ALA A 114 9.257 10.917 13.267 1.00 0.00 H new ATOM 0 HB3 ALA A 114 9.676 9.271 12.734 1.00 0.00 H new ATOM 1809 N ASP A 115 12.128 8.431 12.240 1.00 0.00 N ATOM 1810 CA ASP A 115 13.102 7.343 12.256 1.00 0.00 C ATOM 1811 C ASP A 115 13.735 7.188 13.637 1.00 0.00 C ATOM 1812 O ASP A 115 14.781 7.825 13.883 1.00 0.00 O ATOM 1813 CB ASP A 115 14.186 7.595 11.210 1.00 0.00 C ATOM 1814 CG ASP A 115 14.815 6.311 10.707 1.00 0.00 C ATOM 1815 OD1 ASP A 115 14.074 5.452 10.184 1.00 0.00 O ATOM 1816 OD2 ASP A 115 16.049 6.163 10.836 1.00 0.00 O ATOM 0 H ASP A 115 11.231 8.185 11.822 1.00 0.00 H new ATOM 0 HA ASP A 115 12.578 6.417 12.017 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.756 8.139 10.369 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.960 8.231 11.639 1.00 0.00 H new TER 1821 ASP A 115 ATOM 1822 N TYR B 90 -0.153 -3.068 -20.250 1.00 0.00 N ATOM 1823 CA TYR B 90 0.845 -2.895 -19.162 1.00 0.00 C ATOM 1824 C TYR B 90 0.223 -2.221 -17.944 1.00 0.00 C ATOM 1825 O TYR B 90 -0.189 -1.062 -18.005 1.00 0.00 O ATOM 1826 CB TYR B 90 2.006 -2.053 -19.695 1.00 0.00 C ATOM 1827 CG TYR B 90 2.966 -2.828 -20.570 1.00 0.00 C ATOM 1828 CD1 TYR B 90 3.553 -4.003 -20.117 1.00 0.00 C ATOM 1829 CD2 TYR B 90 3.285 -2.386 -21.847 1.00 0.00 C ATOM 1830 CE1 TYR B 90 4.431 -4.714 -20.913 1.00 0.00 C ATOM 1831 CE2 TYR B 90 4.161 -3.091 -22.649 1.00 0.00 C ATOM 1832 CZ TYR B 90 4.732 -4.255 -22.177 1.00 0.00 C ATOM 1833 OH TYR B 90 5.605 -4.960 -22.973 1.00 0.00 O ATOM 0 HA TYR B 90 1.204 -3.875 -18.847 1.00 0.00 H new ATOM 0 HB2 TYR B 90 1.604 -1.215 -20.265 1.00 0.00 H new ATOM 0 HB3 TYR B 90 2.555 -1.632 -18.853 1.00 0.00 H new ATOM 0 HD1 TYR B 90 3.319 -4.366 -19.127 1.00 0.00 H new ATOM 0 HD2 TYR B 90 2.840 -1.475 -22.220 1.00 0.00 H new ATOM 0 HE1 TYR B 90 4.879 -5.625 -20.546 1.00 0.00 H new ATOM 0 HE2 TYR B 90 4.398 -2.733 -23.640 1.00 0.00 H new ATOM 0 HH TYR B 90 5.707 -4.501 -23.833 1.00 0.00 H new ATOM 1843 N ASP B 91 0.156 -2.954 -16.837 1.00 0.00 N ATOM 1844 CA ASP B 91 -0.417 -2.427 -15.605 1.00 0.00 C ATOM 1845 C ASP B 91 0.552 -1.468 -14.921 1.00 0.00 C ATOM 1846 O ASP B 91 0.137 -0.508 -14.271 1.00 0.00 O ATOM 1847 CB ASP B 91 -0.775 -3.572 -14.655 1.00 0.00 C ATOM 1848 CG ASP B 91 -2.071 -4.258 -15.041 1.00 0.00 C ATOM 1849 OD1 ASP B 91 -3.049 -3.548 -15.357 1.00 0.00 O ATOM 1850 OD2 ASP B 91 -2.108 -5.507 -15.027 1.00 0.00 O ATOM 0 H ASP B 91 0.492 -3.915 -16.769 1.00 0.00 H new ATOM 0 HA ASP B 91 -1.323 -1.878 -15.860 1.00 0.00 H new ATOM 0 HB2 ASP B 91 0.033 -4.303 -14.651 1.00 0.00 H new ATOM 0 HB3 ASP B 91 -0.860 -3.185 -13.640 1.00 0.00 H new ATOM 1855 N SER B 92 1.846 -1.734 -15.071 1.00 0.00 N ATOM 1856 CA SER B 92 2.874 -0.895 -14.466 1.00 0.00 C ATOM 1857 C SER B 92 2.838 0.514 -15.050 1.00 0.00 C ATOM 1858 O SER B 92 3.155 1.488 -14.368 1.00 0.00 O ATOM 1859 CB SER B 92 4.256 -1.513 -14.680 1.00 0.00 C ATOM 1860 OG SER B 92 4.536 -1.675 -16.059 1.00 0.00 O ATOM 0 H SER B 92 2.207 -2.524 -15.606 1.00 0.00 H new ATOM 0 HA SER B 92 2.674 -0.831 -13.396 1.00 0.00 H new ATOM 0 HB2 SER B 92 5.016 -0.878 -14.224 1.00 0.00 H new ATOM 0 HB3 SER B 92 4.306 -2.480 -14.180 1.00 0.00 H new ATOM 0 HG SER B 92 5.426 -2.070 -16.168 1.00 0.00 H new ATOM 1866 N GLU B 93 2.451 0.614 -16.318 1.00 0.00 N ATOM 1867 CA GLU B 93 2.374 1.904 -16.994 1.00 0.00 C ATOM 1868 C GLU B 93 1.272 2.769 -16.392 1.00 0.00 C ATOM 1869 O GLU B 93 1.381 3.994 -16.356 1.00 0.00 O ATOM 1870 CB GLU B 93 2.123 1.704 -18.490 1.00 0.00 C ATOM 1871 CG GLU B 93 2.093 3.003 -19.280 1.00 0.00 C ATOM 1872 CD GLU B 93 0.683 3.503 -19.527 1.00 0.00 C ATOM 1873 OE1 GLU B 93 -0.107 2.767 -20.155 1.00 0.00 O ATOM 1874 OE2 GLU B 93 0.369 4.631 -19.093 1.00 0.00 O ATOM 0 H GLU B 93 2.186 -0.182 -16.898 1.00 0.00 H new ATOM 0 HA GLU B 93 3.327 2.416 -16.858 1.00 0.00 H new ATOM 0 HB2 GLU B 93 2.901 1.058 -18.898 1.00 0.00 H new ATOM 0 HB3 GLU B 93 1.174 1.184 -18.625 1.00 0.00 H new ATOM 0 HG2 GLU B 93 2.655 3.765 -18.741 1.00 0.00 H new ATOM 0 HG3 GLU B 93 2.594 2.854 -20.236 1.00 0.00 H new ATOM 1881 N GLU B 94 0.210 2.123 -15.923 1.00 0.00 N ATOM 1882 CA GLU B 94 -0.914 2.835 -15.323 1.00 0.00 C ATOM 1883 C GLU B 94 -0.723 2.983 -13.817 1.00 0.00 C ATOM 1884 O GLU B 94 -1.025 4.029 -13.243 1.00 0.00 O ATOM 1885 CB GLU B 94 -2.223 2.100 -15.613 1.00 0.00 C ATOM 1886 CG GLU B 94 -2.232 0.658 -15.131 1.00 0.00 C ATOM 1887 CD GLU B 94 -3.583 -0.007 -15.307 1.00 0.00 C ATOM 1888 OE1 GLU B 94 -4.552 0.436 -14.656 1.00 0.00 O ATOM 1889 OE2 GLU B 94 -3.671 -0.971 -16.097 1.00 0.00 O ATOM 0 H GLU B 94 0.103 1.109 -15.946 1.00 0.00 H new ATOM 0 HA GLU B 94 -0.959 3.831 -15.765 1.00 0.00 H new ATOM 0 HB2 GLU B 94 -3.044 2.638 -15.139 1.00 0.00 H new ATOM 0 HB3 GLU B 94 -2.409 2.116 -16.687 1.00 0.00 H new ATOM 0 HG2 GLU B 94 -1.478 0.091 -15.678 1.00 0.00 H new ATOM 0 HG3 GLU B 94 -1.951 0.629 -14.078 1.00 0.00 H new ATOM 1896 N PHE B 95 -0.219 1.929 -13.182 1.00 0.00 N ATOM 1897 CA PHE B 95 0.011 1.943 -11.742 1.00 0.00 C ATOM 1898 C PHE B 95 1.402 2.480 -11.420 1.00 0.00 C ATOM 1899 O PHE B 95 2.387 2.101 -12.054 1.00 0.00 O ATOM 1900 CB PHE B 95 -0.154 0.535 -11.165 1.00 0.00 C ATOM 1901 CG PHE B 95 -1.003 0.489 -9.926 1.00 0.00 C ATOM 1902 CD1 PHE B 95 -0.740 1.333 -8.859 1.00 0.00 C ATOM 1903 CD2 PHE B 95 -2.063 -0.397 -9.830 1.00 0.00 C ATOM 1904 CE1 PHE B 95 -1.519 1.293 -7.718 1.00 0.00 C ATOM 1905 CE2 PHE B 95 -2.845 -0.441 -8.691 1.00 0.00 C ATOM 1906 CZ PHE B 95 -2.573 0.405 -7.634 1.00 0.00 C ATOM 0 H PHE B 95 0.038 1.055 -13.642 1.00 0.00 H new ATOM 0 HA PHE B 95 -0.727 2.603 -11.286 1.00 0.00 H new ATOM 0 HB2 PHE B 95 -0.598 -0.110 -11.924 1.00 0.00 H new ATOM 0 HB3 PHE B 95 0.831 0.127 -10.936 1.00 0.00 H new ATOM 0 HD1 PHE B 95 0.083 2.030 -8.920 1.00 0.00 H new ATOM 0 HD2 PHE B 95 -2.281 -1.061 -10.654 1.00 0.00 H new ATOM 0 HE1 PHE B 95 -1.303 1.956 -6.893 1.00 0.00 H new ATOM 0 HE2 PHE B 95 -3.669 -1.137 -8.628 1.00 0.00 H new ATOM 0 HZ PHE B 95 -3.183 0.372 -6.744 1.00 0.00 H new ATOM 1916 N GLU B 96 1.476 3.365 -10.431 1.00 0.00 N ATOM 1917 CA GLU B 96 2.747 3.954 -10.025 1.00 0.00 C ATOM 1918 C GLU B 96 2.861 4.008 -8.505 1.00 0.00 C ATOM 1919 O GLU B 96 1.873 3.833 -7.792 1.00 0.00 O ATOM 1920 CB GLU B 96 2.892 5.360 -10.610 1.00 0.00 C ATOM 1921 CG GLU B 96 1.723 6.277 -10.285 1.00 0.00 C ATOM 1922 CD GLU B 96 2.167 7.683 -9.933 1.00 0.00 C ATOM 1923 OE1 GLU B 96 2.603 8.414 -10.846 1.00 0.00 O ATOM 1924 OE2 GLU B 96 2.079 8.053 -8.744 1.00 0.00 O ATOM 0 H GLU B 96 0.671 3.690 -9.896 1.00 0.00 H new ATOM 0 HA GLU B 96 3.550 3.324 -10.409 1.00 0.00 H new ATOM 0 HB2 GLU B 96 3.811 5.809 -10.233 1.00 0.00 H new ATOM 0 HB3 GLU B 96 2.995 5.285 -11.693 1.00 0.00 H new ATOM 0 HG2 GLU B 96 1.048 6.316 -11.140 1.00 0.00 H new ATOM 0 HG3 GLU B 96 1.158 5.859 -9.452 1.00 0.00 H new ATOM 1931 N ASP B 97 4.073 4.252 -8.017 1.00 0.00 N ATOM 1932 CA ASP B 97 4.317 4.329 -6.580 1.00 0.00 C ATOM 1933 C ASP B 97 4.284 5.776 -6.100 1.00 0.00 C ATOM 1934 O ASP B 97 4.403 6.708 -6.894 1.00 0.00 O ATOM 1935 CB ASP B 97 5.666 3.695 -6.237 1.00 0.00 C ATOM 1936 CG ASP B 97 5.685 2.201 -6.492 1.00 0.00 C ATOM 1937 OD1 ASP B 97 5.135 1.768 -7.527 1.00 0.00 O ATOM 1938 OD2 ASP B 97 6.252 1.462 -5.660 1.00 0.00 O ATOM 0 H ASP B 97 4.901 4.400 -8.594 1.00 0.00 H new ATOM 0 HA ASP B 97 3.525 3.779 -6.071 1.00 0.00 H new ATOM 0 HB2 ASP B 97 6.449 4.171 -6.827 1.00 0.00 H new ATOM 0 HB3 ASP B 97 5.897 3.885 -5.189 1.00 0.00 H new ATOM 1943 N VAL B 98 4.122 5.955 -4.793 1.00 0.00 N ATOM 1944 CA VAL B 98 4.073 7.289 -4.204 1.00 0.00 C ATOM 1945 C VAL B 98 4.970 7.377 -2.972 1.00 0.00 C ATOM 1946 O VAL B 98 4.651 6.827 -1.918 1.00 0.00 O ATOM 1947 CB VAL B 98 2.633 7.676 -3.812 1.00 0.00 C ATOM 1948 CG1 VAL B 98 2.064 6.686 -2.808 1.00 0.00 C ATOM 1949 CG2 VAL B 98 2.588 9.094 -3.260 1.00 0.00 C ATOM 0 H VAL B 98 4.022 5.194 -4.122 1.00 0.00 H new ATOM 0 HA VAL B 98 4.433 7.986 -4.961 1.00 0.00 H new ATOM 0 HB VAL B 98 2.014 7.642 -4.709 1.00 0.00 H new ATOM 0 HG11 VAL B 98 1.047 6.978 -2.545 1.00 0.00 H new ATOM 0 HG12 VAL B 98 2.053 5.688 -3.247 1.00 0.00 H new ATOM 0 HG13 VAL B 98 2.683 6.681 -1.911 1.00 0.00 H new ATOM 0 HG21 VAL B 98 1.563 9.347 -2.990 1.00 0.00 H new ATOM 0 HG22 VAL B 98 3.223 9.161 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL B 98 2.946 9.791 -4.018 1.00 0.00 H new ATOM 1959 N THR B 99 6.094 8.073 -3.113 1.00 0.00 N ATOM 1960 CA THR B 99 7.037 8.234 -2.013 1.00 0.00 C ATOM 1961 C THR B 99 7.729 9.592 -2.085 1.00 0.00 C ATOM 1962 O THR B 99 8.650 9.790 -2.876 1.00 0.00 O ATOM 1963 CB THR B 99 8.079 7.116 -2.040 1.00 0.00 C ATOM 1964 OG1 THR B 99 7.530 5.930 -2.588 1.00 0.00 O ATOM 1965 CG2 THR B 99 8.627 6.777 -0.670 1.00 0.00 C ATOM 0 H THR B 99 6.373 8.534 -3.979 1.00 0.00 H new ATOM 0 HA THR B 99 6.480 8.179 -1.078 1.00 0.00 H new ATOM 0 HB THR B 99 8.893 7.495 -2.657 1.00 0.00 H new ATOM 0 HG1 THR B 99 8.213 5.227 -2.598 1.00 0.00 H new ATOM 0 HG21 THR B 99 9.361 5.976 -0.760 1.00 0.00 H new ATOM 0 HG22 THR B 99 9.102 7.659 -0.240 1.00 0.00 H new ATOM 0 HG23 THR B 99 7.813 6.452 -0.023 1.00 0.00 H new ATOM 1973 N ASP B 100 7.278 10.524 -1.251 1.00 0.00 N ATOM 1974 CA ASP B 100 7.854 11.864 -1.220 1.00 0.00 C ATOM 1975 C ASP B 100 9.136 11.885 -0.394 1.00 0.00 C ATOM 1976 O ASP B 100 9.095 11.881 0.836 1.00 0.00 O ATOM 1977 CB ASP B 100 6.847 12.861 -0.644 1.00 0.00 C ATOM 1978 CG ASP B 100 7.070 14.269 -1.158 1.00 0.00 C ATOM 1979 OD1 ASP B 100 7.116 14.451 -2.393 1.00 0.00 O ATOM 1980 OD2 ASP B 100 7.199 15.191 -0.325 1.00 0.00 O ATOM 0 H ASP B 100 6.517 10.376 -0.589 1.00 0.00 H new ATOM 0 HA ASP B 100 8.096 12.152 -2.243 1.00 0.00 H new ATOM 0 HB2 ASP B 100 5.837 12.540 -0.898 1.00 0.00 H new ATOM 0 HB3 ASP B 100 6.919 12.858 0.444 1.00 0.00 H new ATOM 1985 N GLY B 101 10.274 11.909 -1.080 1.00 0.00 N ATOM 1986 CA GLY B 101 11.553 11.931 -0.394 1.00 0.00 C ATOM 1987 C GLY B 101 12.224 13.289 -0.462 1.00 0.00 C ATOM 1988 O GLY B 101 11.560 14.308 -0.656 1.00 0.00 O ATOM 0 H GLY B 101 10.334 11.914 -2.098 1.00 0.00 H new ATOM 0 HA2 GLY B 101 11.407 11.653 0.650 1.00 0.00 H new ATOM 0 HA3 GLY B 101 12.211 11.182 -0.834 1.00 0.00 H new ATOM 1992 N ASN B 102 13.543 13.304 -0.303 1.00 0.00 N ATOM 1993 CA ASN B 102 14.305 14.547 -0.346 1.00 0.00 C ATOM 1994 C ASN B 102 15.357 14.502 -1.450 1.00 0.00 C ATOM 1995 O ASN B 102 16.385 13.838 -1.314 1.00 0.00 O ATOM 1996 CB ASN B 102 14.977 14.807 1.004 1.00 0.00 C ATOM 1997 CG ASN B 102 15.047 16.283 1.341 1.00 0.00 C ATOM 1998 OD1 ASN B 102 14.884 17.139 0.470 1.00 0.00 O ATOM 1999 ND2 ASN B 102 15.292 16.590 2.610 1.00 0.00 N ATOM 0 H ASN B 102 14.107 12.469 -0.143 1.00 0.00 H new ATOM 0 HA ASN B 102 13.612 15.360 -0.561 1.00 0.00 H new ATOM 0 HB2 ASN B 102 14.427 14.284 1.787 1.00 0.00 H new ATOM 0 HB3 ASN B 102 15.985 14.392 0.991 1.00 0.00 H new ATOM 0 HD21 ASN B 102 15.352 17.567 2.896 1.00 0.00 H new ATOM 0 HD22 ASN B 102 15.421 15.848 3.298 1.00 0.00 H new ATOM 2006 N GLU B 103 15.093 15.212 -2.541 1.00 0.00 N ATOM 2007 CA GLU B 103 16.017 15.254 -3.669 1.00 0.00 C ATOM 2008 C GLU B 103 17.102 16.303 -3.445 1.00 0.00 C ATOM 2009 O GLU B 103 16.933 17.223 -2.644 1.00 0.00 O ATOM 2010 CB GLU B 103 15.261 15.553 -4.964 1.00 0.00 C ATOM 2011 CG GLU B 103 14.463 16.845 -4.919 1.00 0.00 C ATOM 2012 CD GLU B 103 13.892 17.227 -6.270 1.00 0.00 C ATOM 2013 OE1 GLU B 103 13.405 16.325 -6.985 1.00 0.00 O ATOM 2014 OE2 GLU B 103 13.933 18.426 -6.615 1.00 0.00 O ATOM 0 H GLU B 103 14.247 15.767 -2.669 1.00 0.00 H new ATOM 0 HA GLU B 103 16.493 14.277 -3.753 1.00 0.00 H new ATOM 0 HB2 GLU B 103 15.974 15.605 -5.787 1.00 0.00 H new ATOM 0 HB3 GLU B 103 14.585 14.726 -5.179 1.00 0.00 H new ATOM 0 HG2 GLU B 103 13.649 16.740 -4.202 1.00 0.00 H new ATOM 0 HG3 GLU B 103 15.103 17.650 -4.559 1.00 0.00 H new ATOM 2021 N VAL B 104 18.213 16.159 -4.159 1.00 0.00 N ATOM 2022 CA VAL B 104 19.324 17.094 -4.038 1.00 0.00 C ATOM 2023 C VAL B 104 19.812 17.547 -5.412 1.00 0.00 C ATOM 2024 O VAL B 104 19.462 16.885 -6.411 1.00 0.00 O ATOM 2025 CB VAL B 104 20.502 16.470 -3.263 1.00 0.00 C ATOM 2026 CG1 VAL B 104 21.037 15.247 -3.991 1.00 0.00 C ATOM 2027 CG2 VAL B 104 21.605 17.496 -3.047 1.00 0.00 C ATOM 0 H VAL B 104 18.368 15.404 -4.827 1.00 0.00 H new ATOM 0 HA VAL B 104 18.954 17.957 -3.485 1.00 0.00 H new ATOM 0 HB VAL B 104 20.138 16.151 -2.286 1.00 0.00 H new ATOM 0 HG11 VAL B 104 21.868 14.822 -3.427 1.00 0.00 H new ATOM 0 HG12 VAL B 104 20.245 14.504 -4.085 1.00 0.00 H new ATOM 0 HG13 VAL B 104 21.383 15.537 -4.983 1.00 0.00 H new ATOM 0 HG21 VAL B 104 22.427 17.036 -2.498 1.00 0.00 H new ATOM 0 HG22 VAL B 104 21.966 17.851 -4.012 1.00 0.00 H new ATOM 0 HG23 VAL B 104 21.213 18.337 -2.475 1.00 0.00 H new TER 2037 VAL B 104