USER MOD reduce.3.24.130724 H: found=0, std=0, add=851, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 849 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 84 MET CE :methyl -115:sc= -0.0932 (180deg=-4.25!) USER MOD Set 1.2: A 86 CYS SG : rot 89:sc= 0.297 USER MOD Set 2.1: A 68 TYR OH : rot 1:sc= -1.46 USER MOD Set 2.2: A 72 GLN : amide:sc= -0.516 X(o=-2,f=-1.6) USER MOD Set 3.1: A 50 ASN : amide:sc= -3.61! C(o=-5.2!,f=-6.5!) USER MOD Set 3.2: A 69 MET CE :methyl 160:sc= -1.62 (180deg=-0.0495) USER MOD Single : A 1 GLY N :NH3+ -109:sc= 0.0919 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -10:sc= 0.884 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -68:sc= 0.413 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot 62:sc= 0.26 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.38! C(o=-1.4!,f=-6.8!) USER MOD Single : A 28 ASN : amide:sc= -1 K(o=-1,f=-4.2!) USER MOD Single : A 30 THR OG1 : rot -0:sc= -0.256! USER MOD Single : A 31 LYS NZ :NH3+ -158:sc= -1.03 (180deg=-1.67) USER MOD Single : A 32 ASN : amide:sc= -0.49 X(o=-0.49,f=-0.03) USER MOD Single : A 33 SER OG : rot 160:sc= -0.444 USER MOD Single : A 35 THR OG1 : rot -150:sc= -0.677 USER MOD Single : A 37 GLN : amide:sc= -0.0942 X(o=-0.094,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -2.39! F(o=-3.2,f=-2.4!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -0.0229 (180deg=-0.25) USER MOD Single : A 49 GLN : amide:sc= -0.0193 X(o=-0.019,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0145 K(o=-0.014,f=-0.54) USER MOD Single : A 65 CYS SG : rot 180:sc=-0.00448 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.489 F(o=-1.6,f=-0.49) USER MOD Single : A 67 CYS SG : rot 125:sc= 0.254! USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -0.0372 K(o=-0.037,f=-1.5!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ -151:sc= 0 (180deg=-0.0141) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -146:sc= 0.86 USER MOD Single : A 94 ASN : amide:sc= -2.75 K(o=-2.8,f=-12!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= -1.42 USER MOD Single : A 99 SER OG : rot -68:sc= 0.748 USER MOD Single : A 102 SER OG : rot 120:sc= 0.218 USER MOD Single : A 107 TYR OH : rot -149:sc= 0.275 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -169:sc= 0.955 USER MOD Single : A 110 SER OG : rot 110:sc= 0.682 USER MOD Single : A 112 CYS SG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 180:sc= 0.00352 USER MOD Single : A 117 SER OG : rot 180:sc= -0.0802 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -29.704 1.890 4.308 1.00 0.00 N ATOM 2 CA GLY A 1 -28.558 1.634 3.455 1.00 0.00 C ATOM 3 C GLY A 1 -27.528 2.744 3.518 1.00 0.00 C ATOM 4 O GLY A 1 -27.775 3.796 4.107 1.00 0.00 O ATOM 0 H1 GLY A 1 -29.684 1.241 5.121 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.671 2.872 4.648 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.580 1.740 3.767 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -28.092 0.694 3.750 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.895 1.514 2.425 1.00 0.00 H new ATOM 8 N SER A 2 -26.370 2.510 2.910 1.00 0.00 N ATOM 9 CA SER A 2 -25.296 3.497 2.903 1.00 0.00 C ATOM 10 C SER A 2 -24.911 3.872 1.476 1.00 0.00 C ATOM 11 O SER A 2 -24.223 3.118 0.788 1.00 0.00 O ATOM 12 CB SER A 2 -24.074 2.958 3.649 1.00 0.00 C ATOM 13 OG SER A 2 -24.422 2.522 4.951 1.00 0.00 O ATOM 0 H SER A 2 -26.151 1.645 2.415 1.00 0.00 H new ATOM 0 HA SER A 2 -25.656 4.392 3.410 1.00 0.00 H new ATOM 0 HB2 SER A 2 -23.639 2.130 3.089 1.00 0.00 H new ATOM 0 HB3 SER A 2 -23.312 3.735 3.714 1.00 0.00 H new ATOM 0 HG SER A 2 -23.624 2.181 5.406 1.00 0.00 H new ATOM 19 N SER A 3 -25.361 5.043 1.036 1.00 0.00 N ATOM 20 CA SER A 3 -25.067 5.518 -0.311 1.00 0.00 C ATOM 21 C SER A 3 -23.613 5.964 -0.425 1.00 0.00 C ATOM 22 O SER A 3 -22.901 5.570 -1.348 1.00 0.00 O ATOM 23 CB SER A 3 -25.998 6.674 -0.681 1.00 0.00 C ATOM 24 OG SER A 3 -26.039 6.867 -2.085 1.00 0.00 O ATOM 0 H SER A 3 -25.931 5.680 1.593 1.00 0.00 H new ATOM 0 HA SER A 3 -25.230 4.693 -1.004 1.00 0.00 H new ATOM 0 HB2 SER A 3 -27.002 6.470 -0.309 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.658 7.589 -0.195 1.00 0.00 H new ATOM 0 HG SER A 3 -26.642 7.610 -2.296 1.00 0.00 H new ATOM 30 N GLY A 4 -23.178 6.790 0.522 1.00 0.00 N ATOM 31 CA GLY A 4 -21.811 7.277 0.510 1.00 0.00 C ATOM 32 C GLY A 4 -21.735 8.791 0.505 1.00 0.00 C ATOM 33 O GLY A 4 -22.745 9.469 0.317 1.00 0.00 O ATOM 0 H GLY A 4 -23.748 7.130 1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -21.284 6.893 1.383 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -21.298 6.888 -0.369 1.00 0.00 H new ATOM 37 N SER A 5 -20.534 9.323 0.713 1.00 0.00 N ATOM 38 CA SER A 5 -20.331 10.766 0.736 1.00 0.00 C ATOM 39 C SER A 5 -18.866 11.113 0.490 1.00 0.00 C ATOM 40 O SER A 5 -18.006 10.856 1.331 1.00 0.00 O ATOM 41 CB SER A 5 -20.785 11.344 2.079 1.00 0.00 C ATOM 42 OG SER A 5 -22.176 11.158 2.270 1.00 0.00 O ATOM 0 H SER A 5 -19.687 8.776 0.868 1.00 0.00 H new ATOM 0 HA SER A 5 -20.929 11.205 -0.062 1.00 0.00 H new ATOM 0 HB2 SER A 5 -20.236 10.864 2.889 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.548 12.407 2.120 1.00 0.00 H new ATOM 0 HG SER A 5 -22.582 10.847 1.434 1.00 0.00 H new ATOM 48 N SER A 6 -18.591 11.698 -0.672 1.00 0.00 N ATOM 49 CA SER A 6 -17.230 12.077 -1.033 1.00 0.00 C ATOM 50 C SER A 6 -17.186 13.510 -1.556 1.00 0.00 C ATOM 51 O SER A 6 -18.194 14.048 -2.011 1.00 0.00 O ATOM 52 CB SER A 6 -16.674 11.120 -2.089 1.00 0.00 C ATOM 53 OG SER A 6 -17.208 11.407 -3.369 1.00 0.00 O ATOM 0 H SER A 6 -19.292 11.920 -1.379 1.00 0.00 H new ATOM 0 HA SER A 6 -16.613 12.016 -0.137 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.587 11.198 -2.119 1.00 0.00 H new ATOM 0 HB3 SER A 6 -16.912 10.092 -1.814 1.00 0.00 H new ATOM 0 HG SER A 6 -16.836 10.783 -4.026 1.00 0.00 H new ATOM 59 N GLY A 7 -16.008 14.122 -1.487 1.00 0.00 N ATOM 60 CA GLY A 7 -15.852 15.487 -1.957 1.00 0.00 C ATOM 61 C GLY A 7 -14.771 16.239 -1.206 1.00 0.00 C ATOM 62 O GLY A 7 -14.544 15.995 -0.022 1.00 0.00 O ATOM 0 H GLY A 7 -15.159 13.697 -1.114 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.611 15.477 -3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.799 16.015 -1.850 1.00 0.00 H new ATOM 66 N ALA A 8 -14.100 17.154 -1.898 1.00 0.00 N ATOM 67 CA ALA A 8 -13.036 17.943 -1.290 1.00 0.00 C ATOM 68 C ALA A 8 -13.159 19.415 -1.670 1.00 0.00 C ATOM 69 O ALA A 8 -13.666 19.748 -2.740 1.00 0.00 O ATOM 70 CB ALA A 8 -11.675 17.402 -1.702 1.00 0.00 C ATOM 0 H ALA A 8 -14.275 17.367 -2.880 1.00 0.00 H new ATOM 0 HA ALA A 8 -13.133 17.864 -0.207 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.890 18.001 -1.240 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.581 16.367 -1.375 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.577 17.450 -2.787 1.00 0.00 H new ATOM 76 N GLU A 9 -12.694 20.291 -0.785 1.00 0.00 N ATOM 77 CA GLU A 9 -12.754 21.727 -1.028 1.00 0.00 C ATOM 78 C GLU A 9 -12.173 22.072 -2.396 1.00 0.00 C ATOM 79 O GLU A 9 -11.670 21.201 -3.106 1.00 0.00 O ATOM 80 CB GLU A 9 -11.998 22.484 0.066 1.00 0.00 C ATOM 81 CG GLU A 9 -12.857 22.837 1.268 1.00 0.00 C ATOM 82 CD GLU A 9 -13.658 21.655 1.779 1.00 0.00 C ATOM 83 OE1 GLU A 9 -13.044 20.708 2.313 1.00 0.00 O ATOM 84 OE2 GLU A 9 -14.900 21.677 1.644 1.00 0.00 O ATOM 0 H GLU A 9 -12.272 20.031 0.106 1.00 0.00 H new ATOM 0 HA GLU A 9 -13.801 22.029 -1.011 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.155 21.879 0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -11.586 23.400 -0.357 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -12.219 23.212 2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -13.538 23.644 0.999 1.00 0.00 H new ATOM 91 N ILE A 10 -12.246 23.348 -2.759 1.00 0.00 N ATOM 92 CA ILE A 10 -11.727 23.809 -4.041 1.00 0.00 C ATOM 93 C ILE A 10 -10.482 23.025 -4.443 1.00 0.00 C ATOM 94 O ILE A 10 -9.593 22.789 -3.624 1.00 0.00 O ATOM 95 CB ILE A 10 -11.386 25.310 -4.003 1.00 0.00 C ATOM 96 CG1 ILE A 10 -12.629 26.129 -3.649 1.00 0.00 C ATOM 97 CG2 ILE A 10 -10.814 25.756 -5.341 1.00 0.00 C ATOM 98 CD1 ILE A 10 -13.756 25.978 -4.646 1.00 0.00 C ATOM 0 H ILE A 10 -12.660 24.081 -2.183 1.00 0.00 H new ATOM 0 HA ILE A 10 -12.512 23.642 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 10 -10.633 25.478 -3.233 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -12.984 25.828 -2.663 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -12.354 27.181 -3.581 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -10.578 26.819 -5.299 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.907 25.191 -5.556 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -11.547 25.578 -6.128 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -14.604 26.586 -4.331 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -13.419 26.307 -5.629 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -14.059 24.932 -4.697 1.00 0.00 H new ATOM 110 N PHE A 11 -10.424 22.627 -5.709 1.00 0.00 N ATOM 111 CA PHE A 11 -9.287 21.871 -6.221 1.00 0.00 C ATOM 112 C PHE A 11 -7.974 22.583 -5.909 1.00 0.00 C ATOM 113 O PHE A 11 -7.554 23.483 -6.637 1.00 0.00 O ATOM 114 CB PHE A 11 -9.422 21.666 -7.731 1.00 0.00 C ATOM 115 CG PHE A 11 -10.578 20.787 -8.116 1.00 0.00 C ATOM 116 CD1 PHE A 11 -10.453 19.408 -8.098 1.00 0.00 C ATOM 117 CD2 PHE A 11 -11.789 21.342 -8.496 1.00 0.00 C ATOM 118 CE1 PHE A 11 -11.515 18.596 -8.451 1.00 0.00 C ATOM 119 CE2 PHE A 11 -12.855 20.535 -8.850 1.00 0.00 C ATOM 120 CZ PHE A 11 -12.717 19.161 -8.829 1.00 0.00 C ATOM 0 H PHE A 11 -11.151 22.815 -6.399 1.00 0.00 H new ATOM 0 HA PHE A 11 -9.278 20.899 -5.728 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.538 22.637 -8.212 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -8.500 21.229 -8.114 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.514 18.961 -7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -11.902 22.416 -8.516 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -11.405 17.522 -8.431 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -13.795 20.979 -9.143 1.00 0.00 H new ATOM 0 HZ PHE A 11 -13.548 18.530 -9.108 1.00 0.00 H new ATOM 130 N THR A 12 -7.331 22.175 -4.819 1.00 0.00 N ATOM 131 CA THR A 12 -6.068 22.775 -4.408 1.00 0.00 C ATOM 132 C THR A 12 -5.086 21.713 -3.927 1.00 0.00 C ATOM 133 O THR A 12 -5.486 20.629 -3.501 1.00 0.00 O ATOM 134 CB THR A 12 -6.276 23.810 -3.286 1.00 0.00 C ATOM 135 OG1 THR A 12 -6.993 23.216 -2.198 1.00 0.00 O ATOM 136 CG2 THR A 12 -7.039 25.021 -3.802 1.00 0.00 C ATOM 0 H THR A 12 -7.664 21.432 -4.205 1.00 0.00 H new ATOM 0 HA THR A 12 -5.657 23.277 -5.284 1.00 0.00 H new ATOM 0 HB THR A 12 -5.296 24.138 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.909 23.014 -2.481 1.00 0.00 H new ATOM 0 HG21 THR A 12 -7.174 25.738 -2.992 1.00 0.00 H new ATOM 0 HG22 THR A 12 -6.476 25.488 -4.610 1.00 0.00 H new ATOM 0 HG23 THR A 12 -8.014 24.706 -4.174 1.00 0.00 H new ATOM 144 N THR A 13 -3.796 22.030 -3.998 1.00 0.00 N ATOM 145 CA THR A 13 -2.757 21.102 -3.571 1.00 0.00 C ATOM 146 C THR A 13 -2.028 21.623 -2.338 1.00 0.00 C ATOM 147 O THR A 13 -1.966 22.831 -2.105 1.00 0.00 O ATOM 148 CB THR A 13 -1.731 20.853 -4.693 1.00 0.00 C ATOM 149 OG1 THR A 13 -1.226 22.101 -5.182 1.00 0.00 O ATOM 150 CG2 THR A 13 -2.358 20.071 -5.836 1.00 0.00 C ATOM 0 H THR A 13 -3.447 22.922 -4.347 1.00 0.00 H new ATOM 0 HA THR A 13 -3.253 20.162 -3.327 1.00 0.00 H new ATOM 0 HB THR A 13 -0.910 20.267 -4.280 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.573 21.934 -5.894 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.614 19.908 -6.616 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.714 19.109 -5.467 1.00 0.00 H new ATOM 0 HG23 THR A 13 -3.196 20.635 -6.246 1.00 0.00 H new ATOM 158 N LEU A 14 -1.476 20.706 -1.551 1.00 0.00 N ATOM 159 CA LEU A 14 -0.749 21.074 -0.341 1.00 0.00 C ATOM 160 C LEU A 14 0.667 20.507 -0.362 1.00 0.00 C ATOM 161 O LEU A 14 0.862 19.305 -0.539 1.00 0.00 O ATOM 162 CB LEU A 14 -1.494 20.571 0.897 1.00 0.00 C ATOM 163 CG LEU A 14 -2.783 21.312 1.253 1.00 0.00 C ATOM 164 CD1 LEU A 14 -3.843 21.079 0.188 1.00 0.00 C ATOM 165 CD2 LEU A 14 -3.291 20.874 2.619 1.00 0.00 C ATOM 0 H LEU A 14 -1.518 19.703 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.684 22.161 -0.302 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.733 19.518 0.749 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.819 20.628 1.751 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.566 22.379 1.294 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.754 21.614 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.480 21.443 -0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.057 20.013 0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.209 21.412 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.491 19.803 2.606 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.537 21.093 3.375 1.00 0.00 H new ATOM 177 N SER A 15 1.651 21.381 -0.179 1.00 0.00 N ATOM 178 CA SER A 15 3.050 20.968 -0.178 1.00 0.00 C ATOM 179 C SER A 15 3.450 20.407 1.183 1.00 0.00 C ATOM 180 O SER A 15 4.362 20.919 1.834 1.00 0.00 O ATOM 181 CB SER A 15 3.953 22.149 -0.541 1.00 0.00 C ATOM 182 OG SER A 15 3.787 23.218 0.374 1.00 0.00 O ATOM 0 H SER A 15 1.506 22.379 -0.030 1.00 0.00 H new ATOM 0 HA SER A 15 3.172 20.184 -0.925 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.994 21.827 -0.544 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.722 22.491 -1.550 1.00 0.00 H new ATOM 0 HG SER A 15 4.052 22.925 1.271 1.00 0.00 H new ATOM 188 N CYS A 16 2.763 19.352 1.606 1.00 0.00 N ATOM 189 CA CYS A 16 3.046 18.720 2.890 1.00 0.00 C ATOM 190 C CYS A 16 3.362 17.239 2.709 1.00 0.00 C ATOM 191 O CYS A 16 4.418 16.765 3.128 1.00 0.00 O ATOM 192 CB CYS A 16 1.856 18.888 3.837 1.00 0.00 C ATOM 193 SG CYS A 16 1.553 20.596 4.345 1.00 0.00 S ATOM 0 H CYS A 16 2.006 18.916 1.079 1.00 0.00 H new ATOM 0 HA CYS A 16 3.919 19.209 3.324 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.961 18.501 3.351 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.024 18.280 4.726 1.00 0.00 H new ATOM 0 HG CYS A 16 0.527 20.636 5.142 1.00 0.00 H new ATOM 199 N GLU A 17 2.440 16.514 2.084 1.00 0.00 N ATOM 200 CA GLU A 17 2.620 15.086 1.851 1.00 0.00 C ATOM 201 C GLU A 17 1.752 14.610 0.691 1.00 0.00 C ATOM 202 O GLU A 17 0.703 15.182 0.391 1.00 0.00 O ATOM 203 CB GLU A 17 2.281 14.293 3.115 1.00 0.00 C ATOM 204 CG GLU A 17 0.794 14.034 3.291 1.00 0.00 C ATOM 205 CD GLU A 17 -0.015 15.314 3.370 1.00 0.00 C ATOM 206 OE1 GLU A 17 0.100 16.025 4.391 1.00 0.00 O ATOM 207 OE2 GLU A 17 -0.763 15.605 2.414 1.00 0.00 O ATOM 0 H GLU A 17 1.561 16.892 1.730 1.00 0.00 H new ATOM 0 HA GLU A 17 3.665 14.916 1.594 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.807 13.338 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.652 14.836 3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.433 13.431 2.458 1.00 0.00 H new ATOM 0 HG3 GLU A 17 0.635 13.451 4.199 1.00 0.00 H new ATOM 214 N PRO A 18 2.197 13.537 0.020 1.00 0.00 N ATOM 215 CA PRO A 18 1.476 12.960 -1.119 1.00 0.00 C ATOM 216 C PRO A 18 0.178 12.280 -0.698 1.00 0.00 C ATOM 217 O PRO A 18 -0.153 12.231 0.487 1.00 0.00 O ATOM 218 CB PRO A 18 2.462 11.931 -1.678 1.00 0.00 C ATOM 219 CG PRO A 18 3.323 11.563 -0.520 1.00 0.00 C ATOM 220 CD PRO A 18 3.438 12.804 0.321 1.00 0.00 C ATOM 0 HA PRO A 18 1.178 13.720 -1.841 1.00 0.00 H new ATOM 0 HB2 PRO A 18 1.942 11.060 -2.077 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.052 12.350 -2.493 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.882 10.745 0.050 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.304 11.226 -0.855 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.516 12.565 1.382 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.322 13.386 0.060 1.00 0.00 H new ATOM 228 N ASP A 19 -0.554 11.756 -1.675 1.00 0.00 N ATOM 229 CA ASP A 19 -1.816 11.076 -1.406 1.00 0.00 C ATOM 230 C ASP A 19 -1.573 9.649 -0.926 1.00 0.00 C ATOM 231 O ASP A 19 -0.500 9.086 -1.141 1.00 0.00 O ATOM 232 CB ASP A 19 -2.691 11.064 -2.660 1.00 0.00 C ATOM 233 CG ASP A 19 -4.170 11.001 -2.334 1.00 0.00 C ATOM 234 OD1 ASP A 19 -4.551 11.429 -1.225 1.00 0.00 O ATOM 235 OD2 ASP A 19 -4.947 10.524 -3.188 1.00 0.00 O ATOM 0 H ASP A 19 -0.295 11.789 -2.661 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.333 11.622 -0.617 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -2.490 11.959 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.422 10.208 -3.279 1.00 0.00 H new ATOM 240 N ILE A 20 -2.577 9.071 -0.274 1.00 0.00 N ATOM 241 CA ILE A 20 -2.472 7.710 0.236 1.00 0.00 C ATOM 242 C ILE A 20 -2.521 6.692 -0.898 1.00 0.00 C ATOM 243 O ILE A 20 -3.499 6.599 -1.640 1.00 0.00 O ATOM 244 CB ILE A 20 -3.597 7.397 1.241 1.00 0.00 C ATOM 245 CG1 ILE A 20 -3.534 8.361 2.427 1.00 0.00 C ATOM 246 CG2 ILE A 20 -3.496 5.955 1.717 1.00 0.00 C ATOM 247 CD1 ILE A 20 -4.780 8.346 3.284 1.00 0.00 C ATOM 0 H ILE A 20 -3.471 9.524 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.511 7.637 0.745 1.00 0.00 H new ATOM 0 HB ILE A 20 -4.557 7.528 0.742 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -2.674 8.107 3.046 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -3.371 9.372 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -4.297 5.749 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -3.585 5.283 0.863 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.533 5.799 2.203 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -4.665 9.053 4.106 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.641 8.630 2.679 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.933 7.344 3.686 1.00 0.00 H new ATOM 259 N PRO A 21 -1.441 5.908 -1.036 1.00 0.00 N ATOM 260 CA PRO A 21 -1.337 4.880 -2.077 1.00 0.00 C ATOM 261 C PRO A 21 -2.279 3.707 -1.829 1.00 0.00 C ATOM 262 O PRO A 21 -2.843 3.570 -0.744 1.00 0.00 O ATOM 263 CB PRO A 21 0.121 4.425 -1.981 1.00 0.00 C ATOM 264 CG PRO A 21 0.521 4.726 -0.578 1.00 0.00 C ATOM 265 CD PRO A 21 -0.239 5.963 -0.187 1.00 0.00 C ATOM 0 HA PRO A 21 -1.614 5.264 -3.059 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.219 3.362 -2.201 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.750 4.958 -2.695 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.279 3.894 0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.596 4.889 -0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.495 5.959 0.873 1.00 0.00 H new ATOM 0 HD3 PRO A 21 0.342 6.867 -0.371 1.00 0.00 H new ATOM 273 N ASN A 22 -2.444 2.862 -2.841 1.00 0.00 N ATOM 274 CA ASN A 22 -3.318 1.700 -2.733 1.00 0.00 C ATOM 275 C ASN A 22 -2.631 0.571 -1.970 1.00 0.00 C ATOM 276 O ASN A 22 -1.405 0.461 -1.947 1.00 0.00 O ATOM 277 CB ASN A 22 -3.730 1.213 -4.124 1.00 0.00 C ATOM 278 CG ASN A 22 -4.139 2.353 -5.037 1.00 0.00 C ATOM 279 OD1 ASN A 22 -3.872 3.519 -4.750 1.00 0.00 O ATOM 280 ND2 ASN A 22 -4.792 2.018 -6.144 1.00 0.00 N ATOM 0 H ASN A 22 -1.984 2.960 -3.746 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.209 1.998 -2.181 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.901 0.669 -4.576 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.559 0.511 -4.030 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.094 2.741 -6.797 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.992 1.037 -6.341 1.00 0.00 H new ATOM 287 N PRO A 23 -3.438 -0.288 -1.330 1.00 0.00 N ATOM 288 CA PRO A 23 -2.930 -1.424 -0.555 1.00 0.00 C ATOM 289 C PRO A 23 -2.320 -2.504 -1.442 1.00 0.00 C ATOM 290 O PRO A 23 -2.765 -2.744 -2.565 1.00 0.00 O ATOM 291 CB PRO A 23 -4.178 -1.956 0.154 1.00 0.00 C ATOM 292 CG PRO A 23 -5.314 -1.533 -0.711 1.00 0.00 C ATOM 293 CD PRO A 23 -4.909 -0.217 -1.315 1.00 0.00 C ATOM 0 HA PRO A 23 -2.130 -1.129 0.124 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.142 -3.040 0.258 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.270 -1.542 1.158 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.511 -2.274 -1.486 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -6.230 -1.430 -0.129 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -5.316 -0.093 -2.319 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -5.265 0.625 -0.721 1.00 0.00 H new ATOM 301 N PRO A 24 -1.277 -3.174 -0.929 1.00 0.00 N ATOM 302 CA PRO A 24 -0.585 -4.241 -1.658 1.00 0.00 C ATOM 303 C PRO A 24 -1.442 -5.493 -1.805 1.00 0.00 C ATOM 304 O PRO A 24 -2.279 -5.787 -0.951 1.00 0.00 O ATOM 305 CB PRO A 24 0.639 -4.529 -0.786 1.00 0.00 C ATOM 306 CG PRO A 24 0.235 -4.109 0.585 1.00 0.00 C ATOM 307 CD PRO A 24 -0.694 -2.941 0.403 1.00 0.00 C ATOM 0 HA PRO A 24 -0.339 -3.945 -2.678 1.00 0.00 H new ATOM 0 HB2 PRO A 24 0.905 -5.586 -0.814 1.00 0.00 H new ATOM 0 HB3 PRO A 24 1.510 -3.972 -1.130 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -0.261 -4.924 1.112 1.00 0.00 H new ATOM 0 HG3 PRO A 24 1.104 -3.827 1.179 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -1.460 -2.912 1.178 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -0.160 -1.992 0.448 1.00 0.00 H new ATOM 315 N ARG A 25 -1.228 -6.227 -2.892 1.00 0.00 N ATOM 316 CA ARG A 25 -1.982 -7.448 -3.150 1.00 0.00 C ATOM 317 C ARG A 25 -1.116 -8.682 -2.916 1.00 0.00 C ATOM 318 O ARG A 25 0.077 -8.570 -2.631 1.00 0.00 O ATOM 319 CB ARG A 25 -2.515 -7.450 -4.584 1.00 0.00 C ATOM 320 CG ARG A 25 -1.452 -7.154 -5.629 1.00 0.00 C ATOM 321 CD ARG A 25 -2.020 -7.228 -7.038 1.00 0.00 C ATOM 322 NE ARG A 25 -2.997 -6.172 -7.290 1.00 0.00 N ATOM 323 CZ ARG A 25 -3.269 -5.695 -8.500 1.00 0.00 C ATOM 324 NH1 ARG A 25 -2.640 -6.178 -9.562 1.00 0.00 N ATOM 325 NH2 ARG A 25 -4.171 -4.734 -8.648 1.00 0.00 N ATOM 0 H ARG A 25 -0.539 -5.998 -3.608 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.823 -7.479 -2.457 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.960 -8.422 -4.796 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.311 -6.710 -4.668 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.036 -6.162 -5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.633 -7.866 -5.528 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -1.208 -7.151 -7.761 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.490 -8.200 -7.189 1.00 0.00 H new ATOM 0 HE ARG A 25 -3.498 -5.779 -6.493 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -1.946 -6.917 -9.451 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -2.850 -5.811 -10.490 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -4.657 -4.360 -7.833 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.379 -4.369 -9.577 1.00 0.00 H new ATOM 339 N ILE A 26 -1.724 -9.857 -3.039 1.00 0.00 N ATOM 340 CA ILE A 26 -1.008 -11.111 -2.842 1.00 0.00 C ATOM 341 C ILE A 26 -0.608 -11.732 -4.176 1.00 0.00 C ATOM 342 O ILE A 26 -1.458 -12.017 -5.019 1.00 0.00 O ATOM 343 CB ILE A 26 -1.855 -12.125 -2.050 1.00 0.00 C ATOM 344 CG1 ILE A 26 -1.748 -11.850 -0.549 1.00 0.00 C ATOM 345 CG2 ILE A 26 -1.413 -13.546 -2.367 1.00 0.00 C ATOM 346 CD1 ILE A 26 -0.400 -12.208 0.037 1.00 0.00 C ATOM 0 H ILE A 26 -2.710 -9.967 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 26 -0.110 -10.875 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.898 -12.015 -2.346 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.945 -10.794 -0.367 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.522 -12.413 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.021 -14.251 -1.800 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.536 -13.736 -3.433 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.365 -13.670 -2.095 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.397 -11.986 1.104 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.208 -13.270 -0.114 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.378 -11.625 -0.457 1.00 0.00 H new ATOM 358 N ALA A 27 0.692 -11.939 -4.360 1.00 0.00 N ATOM 359 CA ALA A 27 1.205 -12.530 -5.590 1.00 0.00 C ATOM 360 C ALA A 27 1.729 -13.941 -5.344 1.00 0.00 C ATOM 361 O ALA A 27 1.957 -14.700 -6.285 1.00 0.00 O ATOM 362 CB ALA A 27 2.299 -11.653 -6.180 1.00 0.00 C ATOM 0 H ALA A 27 1.409 -11.706 -3.673 1.00 0.00 H new ATOM 0 HA ALA A 27 0.383 -12.596 -6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.673 -12.106 -7.098 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.894 -10.666 -6.402 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.115 -11.558 -5.464 1.00 0.00 H new ATOM 368 N ASN A 28 1.919 -14.284 -4.075 1.00 0.00 N ATOM 369 CA ASN A 28 2.418 -15.604 -3.706 1.00 0.00 C ATOM 370 C ASN A 28 2.390 -15.793 -2.192 1.00 0.00 C ATOM 371 O ASN A 28 3.050 -15.062 -1.453 1.00 0.00 O ATOM 372 CB ASN A 28 3.843 -15.797 -4.229 1.00 0.00 C ATOM 373 CG ASN A 28 4.464 -17.095 -3.749 1.00 0.00 C ATOM 374 OD1 ASN A 28 4.660 -17.296 -2.551 1.00 0.00 O ATOM 375 ND2 ASN A 28 4.775 -17.984 -4.686 1.00 0.00 N ATOM 0 H ASN A 28 1.735 -13.667 -3.284 1.00 0.00 H new ATOM 0 HA ASN A 28 1.767 -16.351 -4.159 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.832 -15.784 -5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 28 4.462 -14.960 -3.906 1.00 0.00 H new ATOM 0 HD21 ASN A 28 5.194 -18.876 -4.424 1.00 0.00 H new ATOM 0 HD22 ASN A 28 4.594 -17.774 -5.668 1.00 0.00 H new ATOM 382 N ARG A 29 1.622 -16.778 -1.739 1.00 0.00 N ATOM 383 CA ARG A 29 1.507 -17.063 -0.313 1.00 0.00 C ATOM 384 C ARG A 29 2.130 -18.415 0.023 1.00 0.00 C ATOM 385 O ARG A 29 1.798 -19.432 -0.586 1.00 0.00 O ATOM 386 CB ARG A 29 0.039 -17.045 0.116 1.00 0.00 C ATOM 387 CG ARG A 29 -0.514 -15.646 0.335 1.00 0.00 C ATOM 388 CD ARG A 29 -1.751 -15.669 1.219 1.00 0.00 C ATOM 389 NE ARG A 29 -2.685 -14.598 0.882 1.00 0.00 N ATOM 390 CZ ARG A 29 -3.600 -14.695 -0.076 1.00 0.00 C ATOM 391 NH1 ARG A 29 -3.704 -15.809 -0.787 1.00 0.00 N ATOM 392 NH2 ARG A 29 -4.414 -13.677 -0.324 1.00 0.00 N ATOM 0 H ARG A 29 1.070 -17.392 -2.338 1.00 0.00 H new ATOM 0 HA ARG A 29 2.047 -16.288 0.231 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.559 -17.548 -0.644 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.069 -17.618 1.037 1.00 0.00 H new ATOM 0 HG2 ARG A 29 0.251 -15.019 0.793 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -0.761 -15.196 -0.627 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.252 -16.632 1.117 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.452 -15.574 2.263 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.632 -13.728 1.411 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.081 -16.594 -0.599 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.407 -15.881 -1.522 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.338 -12.818 0.221 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.116 -13.753 -1.060 1.00 0.00 H new ATOM 406 N THR A 30 3.036 -18.418 0.996 1.00 0.00 N ATOM 407 CA THR A 30 3.706 -19.643 1.412 1.00 0.00 C ATOM 408 C THR A 30 3.741 -19.762 2.931 1.00 0.00 C ATOM 409 O THR A 30 3.763 -18.758 3.643 1.00 0.00 O ATOM 410 CB THR A 30 5.147 -19.707 0.870 1.00 0.00 C ATOM 411 OG1 THR A 30 5.789 -18.439 1.036 1.00 0.00 O ATOM 412 CG2 THR A 30 5.155 -20.097 -0.601 1.00 0.00 C ATOM 0 H THR A 30 3.322 -17.585 1.511 1.00 0.00 H new ATOM 0 HA THR A 30 3.133 -20.473 0.999 1.00 0.00 H new ATOM 0 HB THR A 30 5.691 -20.465 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.165 -17.809 1.454 1.00 0.00 H new ATOM 0 HG21 THR A 30 6.183 -20.136 -0.962 1.00 0.00 H new ATOM 0 HG22 THR A 30 4.691 -21.076 -0.720 1.00 0.00 H new ATOM 0 HG23 THR A 30 4.596 -19.359 -1.176 1.00 0.00 H new ATOM 420 N LYS A 31 3.748 -20.996 3.423 1.00 0.00 N ATOM 421 CA LYS A 31 3.782 -21.248 4.859 1.00 0.00 C ATOM 422 C LYS A 31 5.154 -20.915 5.437 1.00 0.00 C ATOM 423 O LYS A 31 5.408 -21.131 6.621 1.00 0.00 O ATOM 424 CB LYS A 31 3.436 -22.710 5.150 1.00 0.00 C ATOM 425 CG LYS A 31 2.154 -23.176 4.483 1.00 0.00 C ATOM 426 CD LYS A 31 2.107 -24.690 4.360 1.00 0.00 C ATOM 427 CE LYS A 31 1.844 -25.350 5.705 1.00 0.00 C ATOM 428 NZ LYS A 31 3.091 -25.487 6.509 1.00 0.00 N ATOM 0 H LYS A 31 3.731 -21.838 2.848 1.00 0.00 H new ATOM 0 HA LYS A 31 3.041 -20.604 5.333 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.259 -23.342 4.818 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.345 -22.845 6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.296 -22.830 5.060 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.074 -22.727 3.493 1.00 0.00 H new ATOM 0 HD2 LYS A 31 1.326 -24.975 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.051 -25.053 3.954 1.00 0.00 H new ATOM 0 HE2 LYS A 31 1.115 -24.761 6.262 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.404 -26.335 5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.968 -26.240 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 3.884 -25.728 5.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.293 -24.589 6.992 1.00 0.00 H new ATOM 442 N ASN A 32 6.034 -20.385 4.593 1.00 0.00 N ATOM 443 CA ASN A 32 7.380 -20.021 5.021 1.00 0.00 C ATOM 444 C ASN A 32 7.706 -18.584 4.627 1.00 0.00 C ATOM 445 O ASN A 32 8.662 -17.993 5.129 1.00 0.00 O ATOM 446 CB ASN A 32 8.408 -20.975 4.409 1.00 0.00 C ATOM 447 CG ASN A 32 7.870 -22.385 4.258 1.00 0.00 C ATOM 448 OD1 ASN A 32 7.872 -22.948 3.163 1.00 0.00 O ATOM 449 ND2 ASN A 32 7.407 -22.962 5.361 1.00 0.00 N ATOM 0 H ASN A 32 5.839 -20.198 3.609 1.00 0.00 H new ATOM 0 HA ASN A 32 7.423 -20.100 6.107 1.00 0.00 H new ATOM 0 HB2 ASN A 32 8.713 -20.599 3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 32 9.300 -20.994 5.035 1.00 0.00 H new ATOM 0 HD21 ASN A 32 7.033 -23.910 5.322 1.00 0.00 H new ATOM 0 HD22 ASN A 32 7.425 -22.457 6.247 1.00 0.00 H new ATOM 456 N SER A 33 6.903 -18.026 3.726 1.00 0.00 N ATOM 457 CA SER A 33 7.107 -16.659 3.262 1.00 0.00 C ATOM 458 C SER A 33 5.797 -16.051 2.769 1.00 0.00 C ATOM 459 O SER A 33 4.767 -16.724 2.720 1.00 0.00 O ATOM 460 CB SER A 33 8.150 -16.628 2.143 1.00 0.00 C ATOM 461 OG SER A 33 9.285 -17.405 2.483 1.00 0.00 O ATOM 0 H SER A 33 6.105 -18.500 3.303 1.00 0.00 H new ATOM 0 HA SER A 33 7.469 -16.067 4.102 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.710 -17.006 1.220 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.454 -15.599 1.953 1.00 0.00 H new ATOM 0 HG SER A 33 9.778 -17.637 1.669 1.00 0.00 H new ATOM 467 N LEU A 34 5.845 -14.774 2.406 1.00 0.00 N ATOM 468 CA LEU A 34 4.663 -14.074 1.916 1.00 0.00 C ATOM 469 C LEU A 34 5.050 -12.976 0.931 1.00 0.00 C ATOM 470 O LEU A 34 5.720 -12.008 1.293 1.00 0.00 O ATOM 471 CB LEU A 34 3.881 -13.473 3.086 1.00 0.00 C ATOM 472 CG LEU A 34 2.787 -14.355 3.686 1.00 0.00 C ATOM 473 CD1 LEU A 34 2.223 -13.723 4.949 1.00 0.00 C ATOM 474 CD2 LEU A 34 1.680 -14.598 2.670 1.00 0.00 C ATOM 0 H LEU A 34 6.689 -14.203 2.442 1.00 0.00 H new ATOM 0 HA LEU A 34 4.032 -14.796 1.397 1.00 0.00 H new ATOM 0 HB2 LEU A 34 4.587 -13.217 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 34 3.426 -12.541 2.752 1.00 0.00 H new ATOM 0 HG LEU A 34 3.228 -15.316 3.951 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.445 -14.366 5.362 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.020 -13.602 5.682 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.799 -12.748 4.710 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.910 -15.228 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 34 1.243 -13.645 2.374 1.00 0.00 H new ATOM 0 HD23 LEU A 34 2.094 -15.096 1.793 1.00 0.00 H new ATOM 486 N THR A 35 4.622 -13.131 -0.318 1.00 0.00 N ATOM 487 CA THR A 35 4.922 -12.153 -1.356 1.00 0.00 C ATOM 488 C THR A 35 3.809 -11.119 -1.476 1.00 0.00 C ATOM 489 O THR A 35 2.626 -11.463 -1.490 1.00 0.00 O ATOM 490 CB THR A 35 5.127 -12.831 -2.724 1.00 0.00 C ATOM 491 OG1 THR A 35 6.000 -13.957 -2.587 1.00 0.00 O ATOM 492 CG2 THR A 35 5.710 -11.851 -3.732 1.00 0.00 C ATOM 0 H THR A 35 4.066 -13.925 -0.635 1.00 0.00 H new ATOM 0 HA THR A 35 5.846 -11.655 -1.063 1.00 0.00 H new ATOM 0 HB THR A 35 4.156 -13.167 -3.087 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.498 -14.088 -3.421 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.846 -12.352 -4.690 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.029 -11.009 -3.856 1.00 0.00 H new ATOM 0 HG23 THR A 35 6.673 -11.489 -3.372 1.00 0.00 H new ATOM 500 N LEU A 36 4.193 -9.850 -1.563 1.00 0.00 N ATOM 501 CA LEU A 36 3.226 -8.764 -1.683 1.00 0.00 C ATOM 502 C LEU A 36 3.650 -7.774 -2.763 1.00 0.00 C ATOM 503 O LEU A 36 4.768 -7.259 -2.741 1.00 0.00 O ATOM 504 CB LEU A 36 3.074 -8.041 -0.344 1.00 0.00 C ATOM 505 CG LEU A 36 2.584 -8.894 0.827 1.00 0.00 C ATOM 506 CD1 LEU A 36 2.990 -8.265 2.151 1.00 0.00 C ATOM 507 CD2 LEU A 36 1.075 -9.075 0.761 1.00 0.00 C ATOM 0 H LEU A 36 5.167 -9.548 -1.553 1.00 0.00 H new ATOM 0 HA LEU A 36 2.266 -9.195 -1.968 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.038 -7.610 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.380 -7.211 -0.478 1.00 0.00 H new ATOM 0 HG LEU A 36 3.050 -9.877 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.633 -8.885 2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 36 4.076 -8.188 2.199 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.552 -7.270 2.231 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.745 -9.684 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.589 -8.100 0.806 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.808 -9.570 -0.173 1.00 0.00 H new ATOM 519 N GLN A 37 2.750 -7.513 -3.705 1.00 0.00 N ATOM 520 CA GLN A 37 3.031 -6.583 -4.793 1.00 0.00 C ATOM 521 C GLN A 37 2.080 -5.392 -4.750 1.00 0.00 C ATOM 522 O GLN A 37 0.875 -5.554 -4.557 1.00 0.00 O ATOM 523 CB GLN A 37 2.917 -7.294 -6.142 1.00 0.00 C ATOM 524 CG GLN A 37 4.109 -8.180 -6.466 1.00 0.00 C ATOM 525 CD GLN A 37 4.297 -8.384 -7.957 1.00 0.00 C ATOM 526 OE1 GLN A 37 5.198 -7.806 -8.566 1.00 0.00 O ATOM 527 NE2 GLN A 37 3.445 -9.210 -8.553 1.00 0.00 N ATOM 0 H GLN A 37 1.821 -7.932 -3.737 1.00 0.00 H new ATOM 0 HA GLN A 37 4.050 -6.215 -4.669 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.012 -7.901 -6.148 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.805 -6.547 -6.928 1.00 0.00 H new ATOM 0 HG2 GLN A 37 5.012 -7.735 -6.047 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.978 -9.149 -5.984 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.713 -9.668 -8.009 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.522 -9.387 -9.555 1.00 0.00 H new ATOM 536 N TRP A 38 2.629 -4.196 -4.932 1.00 0.00 N ATOM 537 CA TRP A 38 1.828 -2.977 -4.913 1.00 0.00 C ATOM 538 C TRP A 38 2.199 -2.065 -6.078 1.00 0.00 C ATOM 539 O TRP A 38 3.092 -2.378 -6.865 1.00 0.00 O ATOM 540 CB TRP A 38 2.019 -2.237 -3.589 1.00 0.00 C ATOM 541 CG TRP A 38 3.458 -1.998 -3.244 1.00 0.00 C ATOM 542 CD1 TRP A 38 4.192 -0.879 -3.517 1.00 0.00 C ATOM 543 CD2 TRP A 38 4.338 -2.901 -2.564 1.00 0.00 C ATOM 544 NE1 TRP A 38 5.474 -1.031 -3.047 1.00 0.00 N ATOM 545 CE2 TRP A 38 5.589 -2.262 -2.458 1.00 0.00 C ATOM 546 CE3 TRP A 38 4.190 -4.185 -2.033 1.00 0.00 C ATOM 547 CZ2 TRP A 38 6.683 -2.866 -1.844 1.00 0.00 C ATOM 548 CZ3 TRP A 38 5.276 -4.783 -1.424 1.00 0.00 C ATOM 549 CH2 TRP A 38 6.510 -4.124 -1.333 1.00 0.00 C ATOM 0 H TRP A 38 3.625 -4.044 -5.094 1.00 0.00 H new ATOM 0 HA TRP A 38 0.780 -3.258 -5.015 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.501 -1.279 -3.638 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.552 -2.812 -2.789 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.819 -0.003 -4.027 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.219 -0.339 -3.124 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.243 -4.701 -2.098 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 7.634 -2.360 -1.773 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 5.173 -5.775 -1.011 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.340 -4.618 -0.850 1.00 0.00 H new ATOM 560 N LYS A 39 1.508 -0.935 -6.182 1.00 0.00 N ATOM 561 CA LYS A 39 1.765 0.024 -7.249 1.00 0.00 C ATOM 562 C LYS A 39 2.166 1.380 -6.678 1.00 0.00 C ATOM 563 O LYS A 39 2.192 1.568 -5.462 1.00 0.00 O ATOM 564 CB LYS A 39 0.526 0.178 -8.134 1.00 0.00 C ATOM 565 CG LYS A 39 0.281 -1.008 -9.050 1.00 0.00 C ATOM 566 CD LYS A 39 -0.987 -0.830 -9.868 1.00 0.00 C ATOM 567 CE LYS A 39 -0.810 0.227 -10.948 1.00 0.00 C ATOM 568 NZ LYS A 39 -1.971 0.268 -11.879 1.00 0.00 N ATOM 0 H LYS A 39 0.765 -0.661 -5.539 1.00 0.00 H new ATOM 0 HA LYS A 39 2.590 -0.355 -7.852 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.348 0.322 -7.499 1.00 0.00 H new ATOM 0 HB3 LYS A 39 0.632 1.078 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.132 -1.133 -9.719 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.206 -1.918 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.261 -1.779 -10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -1.809 -0.546 -9.210 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.683 1.204 -10.482 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.100 0.022 -11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.812 1.001 -12.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.077 -0.657 -12.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.836 0.489 -11.346 1.00 0.00 H new ATOM 582 N ALA A 40 2.476 2.322 -7.562 1.00 0.00 N ATOM 583 CA ALA A 40 2.873 3.661 -7.145 1.00 0.00 C ATOM 584 C ALA A 40 1.712 4.642 -7.274 1.00 0.00 C ATOM 585 O ALA A 40 1.009 4.679 -8.284 1.00 0.00 O ATOM 586 CB ALA A 40 4.063 4.138 -7.963 1.00 0.00 C ATOM 0 H ALA A 40 2.460 2.183 -8.572 1.00 0.00 H new ATOM 0 HA ALA A 40 3.163 3.617 -6.095 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.348 5.139 -7.640 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.901 3.457 -7.817 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.793 4.160 -9.019 1.00 0.00 H new ATOM 592 N PRO A 41 1.504 5.455 -6.228 1.00 0.00 N ATOM 593 CA PRO A 41 0.429 6.451 -6.201 1.00 0.00 C ATOM 594 C PRO A 41 0.680 7.601 -7.171 1.00 0.00 C ATOM 595 O PRO A 41 1.571 7.529 -8.017 1.00 0.00 O ATOM 596 CB PRO A 41 0.450 6.956 -4.756 1.00 0.00 C ATOM 597 CG PRO A 41 1.843 6.713 -4.290 1.00 0.00 C ATOM 598 CD PRO A 41 2.304 5.466 -4.991 1.00 0.00 C ATOM 0 HA PRO A 41 -0.528 6.027 -6.505 1.00 0.00 H new ATOM 0 HB2 PRO A 41 0.194 8.014 -4.703 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -0.273 6.422 -4.139 1.00 0.00 H new ATOM 0 HG2 PRO A 41 2.488 7.558 -4.532 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.876 6.587 -3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.373 5.496 -5.204 1.00 0.00 H new ATOM 0 HD3 PRO A 41 2.124 4.576 -4.388 1.00 0.00 H new ATOM 606 N SER A 42 -0.111 8.661 -7.042 1.00 0.00 N ATOM 607 CA SER A 42 0.023 9.826 -7.909 1.00 0.00 C ATOM 608 C SER A 42 1.045 10.808 -7.345 1.00 0.00 C ATOM 609 O SER A 42 0.818 11.429 -6.306 1.00 0.00 O ATOM 610 CB SER A 42 -1.330 10.520 -8.079 1.00 0.00 C ATOM 611 OG SER A 42 -2.038 9.993 -9.187 1.00 0.00 O ATOM 0 H SER A 42 -0.852 8.737 -6.345 1.00 0.00 H new ATOM 0 HA SER A 42 0.373 9.485 -8.883 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.922 10.396 -7.173 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.178 11.591 -8.216 1.00 0.00 H new ATOM 0 HG SER A 42 -2.900 10.452 -9.273 1.00 0.00 H new ATOM 617 N ASP A 43 2.170 10.944 -8.038 1.00 0.00 N ATOM 618 CA ASP A 43 3.228 11.852 -7.608 1.00 0.00 C ATOM 619 C ASP A 43 2.755 13.301 -7.662 1.00 0.00 C ATOM 620 O ASP A 43 3.010 14.011 -8.634 1.00 0.00 O ATOM 621 CB ASP A 43 4.469 11.673 -8.483 1.00 0.00 C ATOM 622 CG ASP A 43 4.256 12.173 -9.898 1.00 0.00 C ATOM 623 OD1 ASP A 43 3.213 11.834 -10.497 1.00 0.00 O ATOM 624 OD2 ASP A 43 5.132 12.903 -10.408 1.00 0.00 O ATOM 0 H ASP A 43 2.373 10.437 -8.900 1.00 0.00 H new ATOM 0 HA ASP A 43 3.484 11.611 -6.576 1.00 0.00 H new ATOM 0 HB2 ASP A 43 5.307 12.207 -8.034 1.00 0.00 H new ATOM 0 HB3 ASP A 43 4.742 10.618 -8.511 1.00 0.00 H new ATOM 629 N ASN A 44 2.065 13.733 -6.612 1.00 0.00 N ATOM 630 CA ASN A 44 1.555 15.098 -6.541 1.00 0.00 C ATOM 631 C ASN A 44 2.397 15.944 -5.591 1.00 0.00 C ATOM 632 O ASN A 44 2.369 15.747 -4.377 1.00 0.00 O ATOM 633 CB ASN A 44 0.095 15.096 -6.083 1.00 0.00 C ATOM 634 CG ASN A 44 -0.119 14.259 -4.837 1.00 0.00 C ATOM 635 OD1 ASN A 44 -0.098 14.907 -3.678 1.00 0.00 O flip ATOM 636 ND2 ASN A 44 -0.301 13.044 -4.916 1.00 0.00 N flip ATOM 0 H ASN A 44 1.846 13.158 -5.798 1.00 0.00 H new ATOM 0 HA ASN A 44 1.615 15.534 -7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.223 16.120 -5.888 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.534 14.714 -6.887 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.309 12.588 -5.828 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.444 12.494 -4.069 1.00 0.00 H new ATOM 643 N GLY A 45 3.145 16.889 -6.154 1.00 0.00 N ATOM 644 CA GLY A 45 3.984 17.752 -5.343 1.00 0.00 C ATOM 645 C GLY A 45 5.462 17.502 -5.568 1.00 0.00 C ATOM 646 O GLY A 45 6.237 18.442 -5.744 1.00 0.00 O ATOM 0 H GLY A 45 3.185 17.072 -7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.756 18.793 -5.571 1.00 0.00 H new ATOM 0 HA3 GLY A 45 3.749 17.597 -4.290 1.00 0.00 H new ATOM 650 N SER A 46 5.854 16.232 -5.562 1.00 0.00 N ATOM 651 CA SER A 46 7.250 15.862 -5.763 1.00 0.00 C ATOM 652 C SER A 46 7.395 14.351 -5.913 1.00 0.00 C ATOM 653 O SER A 46 6.520 13.587 -5.506 1.00 0.00 O ATOM 654 CB SER A 46 8.103 16.354 -4.592 1.00 0.00 C ATOM 655 OG SER A 46 9.468 16.448 -4.960 1.00 0.00 O ATOM 0 H SER A 46 5.225 15.442 -5.420 1.00 0.00 H new ATOM 0 HA SER A 46 7.598 16.336 -6.681 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.744 17.329 -4.261 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.997 15.672 -3.749 1.00 0.00 H new ATOM 0 HG SER A 46 9.992 16.766 -4.195 1.00 0.00 H new ATOM 661 N LYS A 47 8.508 13.926 -6.502 1.00 0.00 N ATOM 662 CA LYS A 47 8.771 12.506 -6.707 1.00 0.00 C ATOM 663 C LYS A 47 8.912 11.781 -5.372 1.00 0.00 C ATOM 664 O LYS A 47 9.665 12.211 -4.498 1.00 0.00 O ATOM 665 CB LYS A 47 10.042 12.317 -7.538 1.00 0.00 C ATOM 666 CG LYS A 47 11.276 12.947 -6.916 1.00 0.00 C ATOM 667 CD LYS A 47 12.545 12.511 -7.629 1.00 0.00 C ATOM 668 CE LYS A 47 12.919 11.080 -7.274 1.00 0.00 C ATOM 669 NZ LYS A 47 13.349 10.955 -5.854 1.00 0.00 N ATOM 0 H LYS A 47 9.242 14.545 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 47 7.925 12.079 -7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.220 11.251 -7.677 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.886 12.746 -8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 47 11.190 14.033 -6.956 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.336 12.670 -5.863 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.406 12.595 -8.707 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.363 13.180 -7.360 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.065 10.426 -7.454 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.723 10.742 -7.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 13.860 10.059 -5.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.975 11.749 -5.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 12.513 10.970 -5.236 1.00 0.00 H new ATOM 683 N ILE A 48 8.184 10.679 -5.223 1.00 0.00 N ATOM 684 CA ILE A 48 8.231 9.894 -3.996 1.00 0.00 C ATOM 685 C ILE A 48 9.576 9.193 -3.843 1.00 0.00 C ATOM 686 O ILE A 48 9.954 8.366 -4.672 1.00 0.00 O ATOM 687 CB ILE A 48 7.108 8.840 -3.959 1.00 0.00 C ATOM 688 CG1 ILE A 48 5.740 9.516 -4.065 1.00 0.00 C ATOM 689 CG2 ILE A 48 7.200 8.013 -2.686 1.00 0.00 C ATOM 690 CD1 ILE A 48 4.661 8.613 -4.619 1.00 0.00 C ATOM 0 H ILE A 48 7.555 10.310 -5.936 1.00 0.00 H new ATOM 0 HA ILE A 48 8.092 10.591 -3.170 1.00 0.00 H new ATOM 0 HB ILE A 48 7.228 8.172 -4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 48 5.439 9.865 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 48 5.827 10.397 -4.701 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.400 7.273 -2.674 1.00 0.00 H new ATOM 0 HG22 ILE A 48 8.164 7.506 -2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.102 8.667 -1.819 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.719 9.159 -4.666 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.940 8.284 -5.620 1.00 0.00 H new ATOM 0 HD13 ILE A 48 4.545 7.744 -3.971 1.00 0.00 H new ATOM 702 N GLN A 49 10.294 9.529 -2.775 1.00 0.00 N ATOM 703 CA GLN A 49 11.597 8.930 -2.513 1.00 0.00 C ATOM 704 C GLN A 49 11.526 7.410 -2.600 1.00 0.00 C ATOM 705 O GLN A 49 12.057 6.806 -3.531 1.00 0.00 O ATOM 706 CB GLN A 49 12.106 9.350 -1.133 1.00 0.00 C ATOM 707 CG GLN A 49 12.162 10.857 -0.937 1.00 0.00 C ATOM 708 CD GLN A 49 12.846 11.252 0.357 1.00 0.00 C ATOM 709 OE1 GLN A 49 14.068 11.394 0.408 1.00 0.00 O ATOM 710 NE2 GLN A 49 12.059 11.433 1.411 1.00 0.00 N ATOM 0 H GLN A 49 9.995 10.212 -2.079 1.00 0.00 H new ATOM 0 HA GLN A 49 12.292 9.286 -3.274 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.460 8.917 -0.369 1.00 0.00 H new ATOM 0 HB3 GLN A 49 13.102 8.935 -0.981 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.691 11.309 -1.776 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.149 11.259 -0.945 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.051 11.304 1.323 1.00 0.00 H new ATOM 0 HE22 GLN A 49 12.462 11.701 2.309 1.00 0.00 H new ATOM 719 N ASN A 50 10.865 6.796 -1.624 1.00 0.00 N ATOM 720 CA ASN A 50 10.724 5.345 -1.591 1.00 0.00 C ATOM 721 C ASN A 50 9.387 4.942 -0.977 1.00 0.00 C ATOM 722 O ASN A 50 8.581 5.794 -0.603 1.00 0.00 O ATOM 723 CB ASN A 50 11.872 4.719 -0.797 1.00 0.00 C ATOM 724 CG ASN A 50 11.698 4.886 0.700 1.00 0.00 C ATOM 725 OD1 ASN A 50 10.911 4.177 1.328 1.00 0.00 O ATOM 726 ND2 ASN A 50 12.435 5.827 1.280 1.00 0.00 N ATOM 0 H ASN A 50 10.419 7.281 -0.845 1.00 0.00 H new ATOM 0 HA ASN A 50 10.757 4.978 -2.617 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.939 3.658 -1.036 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.813 5.175 -1.104 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.361 5.985 2.285 1.00 0.00 H new ATOM 0 HD22 ASN A 50 13.074 6.391 0.720 1.00 0.00 H new ATOM 733 N PHE A 51 9.158 3.636 -0.875 1.00 0.00 N ATOM 734 CA PHE A 51 7.919 3.119 -0.307 1.00 0.00 C ATOM 735 C PHE A 51 8.157 2.546 1.087 1.00 0.00 C ATOM 736 O PHE A 51 9.044 1.715 1.285 1.00 0.00 O ATOM 737 CB PHE A 51 7.324 2.044 -1.219 1.00 0.00 C ATOM 738 CG PHE A 51 6.712 2.594 -2.475 1.00 0.00 C ATOM 739 CD1 PHE A 51 5.509 3.280 -2.431 1.00 0.00 C ATOM 740 CD2 PHE A 51 7.339 2.426 -3.698 1.00 0.00 C ATOM 741 CE1 PHE A 51 4.943 3.787 -3.586 1.00 0.00 C ATOM 742 CE2 PHE A 51 6.778 2.931 -4.856 1.00 0.00 C ATOM 743 CZ PHE A 51 5.578 3.613 -4.800 1.00 0.00 C ATOM 0 H PHE A 51 9.815 2.917 -1.179 1.00 0.00 H new ATOM 0 HA PHE A 51 7.214 3.946 -0.225 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.106 1.333 -1.487 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.565 1.490 -0.667 1.00 0.00 H new ATOM 0 HD1 PHE A 51 5.008 3.420 -1.484 1.00 0.00 H new ATOM 0 HD2 PHE A 51 8.278 1.894 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 51 4.004 4.319 -3.539 1.00 0.00 H new ATOM 0 HE2 PHE A 51 7.277 2.793 -5.804 1.00 0.00 H new ATOM 0 HZ PHE A 51 5.138 4.009 -5.703 1.00 0.00 H new ATOM 753 N VAL A 52 7.360 2.996 2.050 1.00 0.00 N ATOM 754 CA VAL A 52 7.483 2.528 3.425 1.00 0.00 C ATOM 755 C VAL A 52 6.378 1.534 3.769 1.00 0.00 C ATOM 756 O VAL A 52 5.198 1.884 3.790 1.00 0.00 O ATOM 757 CB VAL A 52 7.432 3.700 4.424 1.00 0.00 C ATOM 758 CG1 VAL A 52 7.518 3.188 5.853 1.00 0.00 C ATOM 759 CG2 VAL A 52 8.548 4.693 4.136 1.00 0.00 C ATOM 0 H VAL A 52 6.622 3.684 1.903 1.00 0.00 H new ATOM 0 HA VAL A 52 8.451 2.033 3.505 1.00 0.00 H new ATOM 0 HB VAL A 52 6.479 4.215 4.306 1.00 0.00 H new ATOM 0 HG11 VAL A 52 7.480 4.030 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.681 2.519 6.051 1.00 0.00 H new ATOM 0 HG13 VAL A 52 8.455 2.648 5.990 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.497 5.514 4.851 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.512 4.193 4.226 1.00 0.00 H new ATOM 0 HG23 VAL A 52 8.435 5.084 3.125 1.00 0.00 H new ATOM 769 N LEU A 53 6.769 0.294 4.037 1.00 0.00 N ATOM 770 CA LEU A 53 5.813 -0.753 4.381 1.00 0.00 C ATOM 771 C LEU A 53 5.858 -1.064 5.874 1.00 0.00 C ATOM 772 O LEU A 53 6.869 -0.830 6.535 1.00 0.00 O ATOM 773 CB LEU A 53 6.102 -2.020 3.575 1.00 0.00 C ATOM 774 CG LEU A 53 5.120 -3.177 3.767 1.00 0.00 C ATOM 775 CD1 LEU A 53 3.769 -2.836 3.159 1.00 0.00 C ATOM 776 CD2 LEU A 53 5.675 -4.455 3.156 1.00 0.00 C ATOM 0 H LEU A 53 7.742 -0.012 4.023 1.00 0.00 H new ATOM 0 HA LEU A 53 4.814 -0.393 4.134 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.120 -1.757 2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 53 7.101 -2.371 3.834 1.00 0.00 H new ATOM 0 HG LEU A 53 4.984 -3.339 4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.083 -3.671 3.305 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.366 -1.946 3.643 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.888 -2.646 2.092 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.963 -5.267 3.302 1.00 0.00 H new ATOM 0 HD22 LEU A 53 5.841 -4.306 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 53 6.619 -4.709 3.638 1.00 0.00 H new ATOM 788 N GLU A 54 4.757 -1.593 6.397 1.00 0.00 N ATOM 789 CA GLU A 54 4.672 -1.937 7.811 1.00 0.00 C ATOM 790 C GLU A 54 3.780 -3.157 8.022 1.00 0.00 C ATOM 791 O GLU A 54 2.844 -3.393 7.259 1.00 0.00 O ATOM 792 CB GLU A 54 4.134 -0.752 8.616 1.00 0.00 C ATOM 793 CG GLU A 54 5.163 0.340 8.854 1.00 0.00 C ATOM 794 CD GLU A 54 4.711 1.351 9.889 1.00 0.00 C ATOM 795 OE1 GLU A 54 3.962 0.962 10.810 1.00 0.00 O ATOM 796 OE2 GLU A 54 5.106 2.531 9.779 1.00 0.00 O ATOM 0 H GLU A 54 3.911 -1.793 5.863 1.00 0.00 H new ATOM 0 HA GLU A 54 5.676 -2.178 8.161 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.279 -0.326 8.091 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.770 -1.113 9.578 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.100 -0.113 9.179 1.00 0.00 H new ATOM 0 HG3 GLU A 54 5.366 0.854 7.914 1.00 0.00 H new ATOM 803 N TRP A 55 4.079 -3.927 9.062 1.00 0.00 N ATOM 804 CA TRP A 55 3.305 -5.124 9.373 1.00 0.00 C ATOM 805 C TRP A 55 3.376 -5.446 10.862 1.00 0.00 C ATOM 806 O TRP A 55 4.292 -5.007 11.558 1.00 0.00 O ATOM 807 CB TRP A 55 3.814 -6.313 8.557 1.00 0.00 C ATOM 808 CG TRP A 55 5.074 -6.913 9.104 1.00 0.00 C ATOM 809 CD1 TRP A 55 6.136 -6.242 9.639 1.00 0.00 C ATOM 810 CD2 TRP A 55 5.403 -8.305 9.166 1.00 0.00 C ATOM 811 NE1 TRP A 55 7.106 -7.133 10.031 1.00 0.00 N ATOM 812 CE2 TRP A 55 6.680 -8.405 9.752 1.00 0.00 C ATOM 813 CE3 TRP A 55 4.743 -9.476 8.786 1.00 0.00 C ATOM 814 CZ2 TRP A 55 7.308 -9.629 9.964 1.00 0.00 C ATOM 815 CZ3 TRP A 55 5.367 -10.691 8.997 1.00 0.00 C ATOM 816 CH2 TRP A 55 6.639 -10.760 9.582 1.00 0.00 C ATOM 0 H TRP A 55 4.851 -3.745 9.704 1.00 0.00 H new ATOM 0 HA TRP A 55 2.265 -4.932 9.111 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.040 -7.080 8.523 1.00 0.00 H new ATOM 0 HB3 TRP A 55 3.989 -5.992 7.530 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.204 -5.169 9.739 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.998 -6.887 10.460 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.762 -9.433 8.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.288 -9.684 10.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 4.866 -11.603 8.706 1.00 0.00 H new ATOM 0 HH2 TRP A 55 7.100 -11.725 9.734 1.00 0.00 H new ATOM 827 N ASP A 56 2.405 -6.214 11.344 1.00 0.00 N ATOM 828 CA ASP A 56 2.359 -6.596 12.750 1.00 0.00 C ATOM 829 C ASP A 56 3.056 -7.935 12.973 1.00 0.00 C ATOM 830 O ASP A 56 2.610 -8.750 13.780 1.00 0.00 O ATOM 831 CB ASP A 56 0.910 -6.674 13.232 1.00 0.00 C ATOM 832 CG ASP A 56 0.029 -5.619 12.593 1.00 0.00 C ATOM 833 OD1 ASP A 56 0.570 -4.586 12.145 1.00 0.00 O ATOM 834 OD2 ASP A 56 -1.201 -5.825 12.541 1.00 0.00 O ATOM 0 H ASP A 56 1.639 -6.584 10.781 1.00 0.00 H new ATOM 0 HA ASP A 56 2.884 -5.834 13.325 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.509 -7.662 13.008 1.00 0.00 H new ATOM 0 HB3 ASP A 56 0.884 -6.557 14.315 1.00 0.00 H new ATOM 839 N GLU A 57 4.151 -8.153 12.252 1.00 0.00 N ATOM 840 CA GLU A 57 4.907 -9.395 12.371 1.00 0.00 C ATOM 841 C GLU A 57 3.978 -10.574 12.642 1.00 0.00 C ATOM 842 O GLU A 57 4.327 -11.497 13.376 1.00 0.00 O ATOM 843 CB GLU A 57 5.945 -9.281 13.490 1.00 0.00 C ATOM 844 CG GLU A 57 7.150 -8.433 13.119 1.00 0.00 C ATOM 845 CD GLU A 57 8.305 -8.607 14.086 1.00 0.00 C ATOM 846 OE1 GLU A 57 8.375 -9.666 14.744 1.00 0.00 O ATOM 847 OE2 GLU A 57 9.139 -7.683 14.184 1.00 0.00 O ATOM 0 H GLU A 57 4.534 -7.488 11.581 1.00 0.00 H new ATOM 0 HA GLU A 57 5.420 -9.570 11.425 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.469 -8.854 14.373 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.285 -10.280 13.762 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.480 -8.696 12.114 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.857 -7.383 13.094 1.00 0.00 H new ATOM 854 N GLY A 58 2.792 -10.535 12.042 1.00 0.00 N ATOM 855 CA GLY A 58 1.830 -11.606 12.231 1.00 0.00 C ATOM 856 C GLY A 58 1.794 -12.107 13.661 1.00 0.00 C ATOM 857 O GLY A 58 1.804 -13.314 13.905 1.00 0.00 O ATOM 0 H GLY A 58 2.480 -9.782 11.429 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.838 -11.254 11.948 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.076 -12.433 11.565 1.00 0.00 H new ATOM 861 N LYS A 59 1.753 -11.178 14.611 1.00 0.00 N ATOM 862 CA LYS A 59 1.715 -11.531 16.025 1.00 0.00 C ATOM 863 C LYS A 59 0.281 -11.551 16.544 1.00 0.00 C ATOM 864 O LYS A 59 -0.172 -12.546 17.107 1.00 0.00 O ATOM 865 CB LYS A 59 2.550 -10.541 16.841 1.00 0.00 C ATOM 866 CG LYS A 59 4.044 -10.653 16.588 1.00 0.00 C ATOM 867 CD LYS A 59 4.837 -9.772 17.539 1.00 0.00 C ATOM 868 CE LYS A 59 6.305 -9.707 17.145 1.00 0.00 C ATOM 869 NZ LYS A 59 7.084 -10.840 17.716 1.00 0.00 N ATOM 0 H LYS A 59 1.745 -10.175 14.427 1.00 0.00 H new ATOM 0 HA LYS A 59 2.136 -12.530 16.135 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.226 -9.527 16.609 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.356 -10.703 17.901 1.00 0.00 H new ATOM 0 HG2 LYS A 59 4.357 -11.690 16.705 1.00 0.00 H new ATOM 0 HG3 LYS A 59 4.262 -10.368 15.559 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.415 -8.767 17.543 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.748 -10.159 18.554 1.00 0.00 H new ATOM 0 HE2 LYS A 59 6.390 -9.719 16.058 1.00 0.00 H new ATOM 0 HE3 LYS A 59 6.731 -8.764 17.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 8.079 -10.759 17.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 7.024 -10.814 18.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 6.694 -11.739 17.369 1.00 0.00 H new ATOM 883 N GLY A 60 -0.430 -10.444 16.348 1.00 0.00 N ATOM 884 CA GLY A 60 -1.806 -10.356 16.801 1.00 0.00 C ATOM 885 C GLY A 60 -1.967 -9.428 17.988 1.00 0.00 C ATOM 886 O GLY A 60 -2.693 -9.738 18.932 1.00 0.00 O ATOM 0 H GLY A 60 -0.077 -9.607 15.884 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.433 -10.005 15.982 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.161 -11.351 17.071 1.00 0.00 H new ATOM 890 N ASN A 61 -1.287 -8.287 17.943 1.00 0.00 N ATOM 891 CA ASN A 61 -1.357 -7.312 19.025 1.00 0.00 C ATOM 892 C ASN A 61 -1.915 -5.983 18.525 1.00 0.00 C ATOM 893 O ASN A 61 -2.773 -5.377 19.166 1.00 0.00 O ATOM 894 CB ASN A 61 0.029 -7.098 19.637 1.00 0.00 C ATOM 895 CG ASN A 61 0.864 -8.363 19.633 1.00 0.00 C ATOM 896 OD1 ASN A 61 0.378 -9.442 19.973 1.00 0.00 O ATOM 897 ND2 ASN A 61 2.128 -8.236 19.247 1.00 0.00 N ATOM 0 H ASN A 61 -0.681 -8.015 17.169 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.028 -7.703 19.790 1.00 0.00 H new ATOM 0 HB2 ASN A 61 0.552 -6.319 19.082 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.080 -6.741 20.661 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.739 -9.053 19.224 1.00 0.00 H new ATOM 0 HD22 ASN A 61 2.488 -7.322 18.974 1.00 0.00 H new ATOM 904 N GLY A 62 -1.423 -5.536 17.374 1.00 0.00 N ATOM 905 CA GLY A 62 -1.884 -4.283 16.806 1.00 0.00 C ATOM 906 C GLY A 62 -0.779 -3.249 16.709 1.00 0.00 C ATOM 907 O GLY A 62 -1.029 -2.051 16.838 1.00 0.00 O ATOM 0 H GLY A 62 -0.713 -6.020 16.824 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.294 -4.467 15.813 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -2.695 -3.887 17.417 1.00 0.00 H new ATOM 911 N GLU A 63 0.446 -3.713 16.482 1.00 0.00 N ATOM 912 CA GLU A 63 1.592 -2.820 16.370 1.00 0.00 C ATOM 913 C GLU A 63 2.195 -2.880 14.970 1.00 0.00 C ATOM 914 O GLU A 63 2.589 -3.947 14.497 1.00 0.00 O ATOM 915 CB GLU A 63 2.654 -3.183 17.411 1.00 0.00 C ATOM 916 CG GLU A 63 3.531 -4.354 17.001 1.00 0.00 C ATOM 917 CD GLU A 63 2.726 -5.559 16.555 1.00 0.00 C ATOM 918 OE1 GLU A 63 1.722 -5.882 17.223 1.00 0.00 O ATOM 919 OE2 GLU A 63 3.100 -6.179 15.538 1.00 0.00 O ATOM 0 H GLU A 63 0.670 -4.702 16.372 1.00 0.00 H new ATOM 0 HA GLU A 63 1.246 -1.803 16.554 1.00 0.00 H new ATOM 0 HB2 GLU A 63 3.285 -2.313 17.593 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.161 -3.421 18.353 1.00 0.00 H new ATOM 0 HG2 GLU A 63 4.191 -4.043 16.191 1.00 0.00 H new ATOM 0 HG3 GLU A 63 4.167 -4.637 17.839 1.00 0.00 H new ATOM 926 N PHE A 64 2.263 -1.728 14.311 1.00 0.00 N ATOM 927 CA PHE A 64 2.817 -1.649 12.964 1.00 0.00 C ATOM 928 C PHE A 64 4.185 -0.973 12.977 1.00 0.00 C ATOM 929 O PHE A 64 4.334 0.141 13.480 1.00 0.00 O ATOM 930 CB PHE A 64 1.865 -0.883 12.043 1.00 0.00 C ATOM 931 CG PHE A 64 0.655 -1.675 11.638 1.00 0.00 C ATOM 932 CD1 PHE A 64 -0.389 -1.874 12.527 1.00 0.00 C ATOM 933 CD2 PHE A 64 0.562 -2.221 10.367 1.00 0.00 C ATOM 934 CE1 PHE A 64 -1.502 -2.604 12.156 1.00 0.00 C ATOM 935 CE2 PHE A 64 -0.549 -2.951 9.991 1.00 0.00 C ATOM 936 CZ PHE A 64 -1.583 -3.142 10.886 1.00 0.00 C ATOM 0 H PHE A 64 1.941 -0.836 14.688 1.00 0.00 H new ATOM 0 HA PHE A 64 2.937 -2.665 12.587 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.541 0.028 12.546 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.406 -0.578 11.147 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.332 -1.454 13.520 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.367 -2.074 9.663 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.308 -2.754 12.859 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.609 -3.372 8.998 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.453 -3.711 10.594 1.00 0.00 H new ATOM 946 N CYS A 65 5.180 -1.655 12.421 1.00 0.00 N ATOM 947 CA CYS A 65 6.536 -1.123 12.369 1.00 0.00 C ATOM 948 C CYS A 65 7.123 -1.266 10.968 1.00 0.00 C ATOM 949 O CYS A 65 6.677 -2.100 10.181 1.00 0.00 O ATOM 950 CB CYS A 65 7.428 -1.840 13.384 1.00 0.00 C ATOM 951 SG CYS A 65 6.846 -1.720 15.092 1.00 0.00 S ATOM 0 H CYS A 65 5.073 -2.578 12.000 1.00 0.00 H new ATOM 0 HA CYS A 65 6.493 -0.063 12.619 1.00 0.00 H new ATOM 0 HB2 CYS A 65 7.500 -2.892 13.109 1.00 0.00 H new ATOM 0 HB3 CYS A 65 8.434 -1.425 13.324 1.00 0.00 H new ATOM 0 HG CYS A 65 7.664 -2.358 15.875 1.00 0.00 H new ATOM 957 N GLN A 66 8.124 -0.445 10.665 1.00 0.00 N ATOM 958 CA GLN A 66 8.770 -0.479 9.358 1.00 0.00 C ATOM 959 C GLN A 66 9.265 -1.885 9.032 1.00 0.00 C ATOM 960 O GLN A 66 10.049 -2.467 9.783 1.00 0.00 O ATOM 961 CB GLN A 66 9.938 0.508 9.317 1.00 0.00 C ATOM 962 CG GLN A 66 10.431 0.809 7.911 1.00 0.00 C ATOM 963 CD GLN A 66 11.576 1.801 7.894 1.00 0.00 C ATOM 964 OE1 GLN A 66 12.615 1.494 7.126 1.00 0.00 O flip ATOM 965 NE2 GLN A 66 11.529 2.833 8.565 1.00 0.00 N flip ATOM 0 H GLN A 66 8.505 0.251 11.306 1.00 0.00 H new ATOM 0 HA GLN A 66 8.033 -0.190 8.609 1.00 0.00 H new ATOM 0 HB2 GLN A 66 9.632 1.440 9.793 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.764 0.106 9.904 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.752 -0.118 7.436 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.606 1.202 7.317 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.711 3.030 9.142 1.00 0.00 H new ATOM 0 HE22 GLN A 66 12.308 3.491 8.544 1.00 0.00 H new ATOM 974 N CYS A 67 8.803 -2.424 7.910 1.00 0.00 N ATOM 975 CA CYS A 67 9.198 -3.762 7.485 1.00 0.00 C ATOM 976 C CYS A 67 9.990 -3.707 6.183 1.00 0.00 C ATOM 977 O CYS A 67 11.069 -4.291 6.075 1.00 0.00 O ATOM 978 CB CYS A 67 7.964 -4.649 7.308 1.00 0.00 C ATOM 979 SG CYS A 67 8.296 -6.417 7.484 1.00 0.00 S ATOM 0 H CYS A 67 8.154 -1.955 7.278 1.00 0.00 H new ATOM 0 HA CYS A 67 9.835 -4.189 8.259 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.211 -4.357 8.040 1.00 0.00 H new ATOM 0 HB3 CYS A 67 7.537 -4.467 6.322 1.00 0.00 H new ATOM 0 HG CYS A 67 7.517 -6.916 8.397 1.00 0.00 H new ATOM 985 N TYR A 68 9.448 -3.003 5.196 1.00 0.00 N ATOM 986 CA TYR A 68 10.102 -2.876 3.899 1.00 0.00 C ATOM 987 C TYR A 68 10.164 -1.415 3.462 1.00 0.00 C ATOM 988 O TYR A 68 9.135 -0.769 3.269 1.00 0.00 O ATOM 989 CB TYR A 68 9.362 -3.703 2.847 1.00 0.00 C ATOM 990 CG TYR A 68 10.115 -3.840 1.543 1.00 0.00 C ATOM 991 CD1 TYR A 68 11.105 -4.803 1.389 1.00 0.00 C ATOM 992 CD2 TYR A 68 9.839 -3.006 0.467 1.00 0.00 C ATOM 993 CE1 TYR A 68 11.797 -4.932 0.200 1.00 0.00 C ATOM 994 CE2 TYR A 68 10.525 -3.128 -0.726 1.00 0.00 C ATOM 995 CZ TYR A 68 11.503 -4.093 -0.854 1.00 0.00 C ATOM 996 OH TYR A 68 12.189 -4.217 -2.041 1.00 0.00 O ATOM 0 H TYR A 68 8.557 -2.511 5.269 1.00 0.00 H new ATOM 0 HA TYR A 68 11.120 -3.252 3.996 1.00 0.00 H new ATOM 0 HB2 TYR A 68 9.167 -4.697 3.250 1.00 0.00 H new ATOM 0 HB3 TYR A 68 8.394 -3.243 2.651 1.00 0.00 H new ATOM 0 HD1 TYR A 68 11.337 -5.462 2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 68 9.075 -2.249 0.565 1.00 0.00 H new ATOM 0 HE1 TYR A 68 12.564 -5.686 0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 68 10.297 -2.472 -1.553 1.00 0.00 H new ATOM 0 HH TYR A 68 12.833 -4.952 -1.971 1.00 0.00 H new ATOM 1006 N MET A 69 11.381 -0.903 3.306 1.00 0.00 N ATOM 1007 CA MET A 69 11.579 0.481 2.890 1.00 0.00 C ATOM 1008 C MET A 69 12.564 0.563 1.728 1.00 0.00 C ATOM 1009 O MET A 69 13.749 0.272 1.885 1.00 0.00 O ATOM 1010 CB MET A 69 12.085 1.322 4.064 1.00 0.00 C ATOM 1011 CG MET A 69 12.290 2.788 3.717 1.00 0.00 C ATOM 1012 SD MET A 69 12.632 3.803 5.168 1.00 0.00 S ATOM 1013 CE MET A 69 12.366 5.444 4.502 1.00 0.00 C ATOM 0 H MET A 69 12.244 -1.425 3.461 1.00 0.00 H new ATOM 0 HA MET A 69 10.619 0.876 2.558 1.00 0.00 H new ATOM 0 HB2 MET A 69 11.374 1.248 4.887 1.00 0.00 H new ATOM 0 HB3 MET A 69 13.028 0.906 4.419 1.00 0.00 H new ATOM 0 HG2 MET A 69 13.116 2.879 3.012 1.00 0.00 H new ATOM 0 HG3 MET A 69 11.400 3.167 3.215 1.00 0.00 H new ATOM 0 HE1 MET A 69 12.187 6.144 5.319 1.00 0.00 H new ATOM 0 HE2 MET A 69 13.248 5.757 3.943 1.00 0.00 H new ATOM 0 HE3 MET A 69 11.501 5.432 3.839 1.00 0.00 H new ATOM 1023 N GLY A 70 12.065 0.962 0.562 1.00 0.00 N ATOM 1024 CA GLY A 70 12.915 1.074 -0.609 1.00 0.00 C ATOM 1025 C GLY A 70 12.141 1.462 -1.853 1.00 0.00 C ATOM 1026 O GLY A 70 10.924 1.644 -1.803 1.00 0.00 O ATOM 0 H GLY A 70 11.088 1.210 0.407 1.00 0.00 H new ATOM 0 HA2 GLY A 70 13.691 1.816 -0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 70 13.419 0.123 -0.780 1.00 0.00 H new ATOM 1030 N SER A 71 12.847 1.591 -2.972 1.00 0.00 N ATOM 1031 CA SER A 71 12.218 1.966 -4.233 1.00 0.00 C ATOM 1032 C SER A 71 11.391 0.812 -4.792 1.00 0.00 C ATOM 1033 O SER A 71 10.282 1.012 -5.285 1.00 0.00 O ATOM 1034 CB SER A 71 13.280 2.387 -5.251 1.00 0.00 C ATOM 1035 OG SER A 71 12.682 2.892 -6.432 1.00 0.00 O ATOM 0 H SER A 71 13.854 1.441 -3.031 1.00 0.00 H new ATOM 0 HA SER A 71 11.553 2.808 -4.043 1.00 0.00 H new ATOM 0 HB2 SER A 71 13.927 3.147 -4.813 1.00 0.00 H new ATOM 0 HB3 SER A 71 13.912 1.533 -5.496 1.00 0.00 H new ATOM 0 HG SER A 71 13.381 3.155 -7.066 1.00 0.00 H new ATOM 1041 N GLN A 72 11.940 -0.396 -4.709 1.00 0.00 N ATOM 1042 CA GLN A 72 11.254 -1.582 -5.207 1.00 0.00 C ATOM 1043 C GLN A 72 9.804 -1.611 -4.734 1.00 0.00 C ATOM 1044 O GLN A 72 9.506 -1.269 -3.590 1.00 0.00 O ATOM 1045 CB GLN A 72 11.979 -2.848 -4.745 1.00 0.00 C ATOM 1046 CG GLN A 72 13.213 -3.177 -5.570 1.00 0.00 C ATOM 1047 CD GLN A 72 14.084 -4.233 -4.919 1.00 0.00 C ATOM 1048 OE1 GLN A 72 13.665 -4.906 -3.977 1.00 0.00 O ATOM 1049 NE2 GLN A 72 15.305 -4.384 -5.419 1.00 0.00 N ATOM 0 H GLN A 72 12.857 -0.579 -4.302 1.00 0.00 H new ATOM 0 HA GLN A 72 11.261 -1.545 -6.296 1.00 0.00 H new ATOM 0 HB2 GLN A 72 12.271 -2.729 -3.701 1.00 0.00 H new ATOM 0 HB3 GLN A 72 11.288 -3.689 -4.789 1.00 0.00 H new ATOM 0 HG2 GLN A 72 12.904 -3.523 -6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 72 13.798 -2.270 -5.719 1.00 0.00 H new ATOM 0 HE21 GLN A 72 15.611 -3.805 -6.201 1.00 0.00 H new ATOM 0 HE22 GLN A 72 15.936 -5.079 -5.021 1.00 0.00 H new ATOM 1058 N LYS A 73 8.906 -2.021 -5.623 1.00 0.00 N ATOM 1059 CA LYS A 73 7.486 -2.095 -5.298 1.00 0.00 C ATOM 1060 C LYS A 73 7.065 -3.536 -5.028 1.00 0.00 C ATOM 1061 O LYS A 73 5.919 -3.913 -5.273 1.00 0.00 O ATOM 1062 CB LYS A 73 6.649 -1.513 -6.439 1.00 0.00 C ATOM 1063 CG LYS A 73 6.945 -0.051 -6.726 1.00 0.00 C ATOM 1064 CD LYS A 73 6.582 0.322 -8.153 1.00 0.00 C ATOM 1065 CE LYS A 73 5.076 0.438 -8.333 1.00 0.00 C ATOM 1066 NZ LYS A 73 4.684 0.390 -9.769 1.00 0.00 N ATOM 0 H LYS A 73 9.136 -2.307 -6.575 1.00 0.00 H new ATOM 0 HA LYS A 73 7.314 -1.509 -4.395 1.00 0.00 H new ATOM 0 HB2 LYS A 73 6.827 -2.095 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.592 -1.620 -6.194 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.387 0.577 -6.032 1.00 0.00 H new ATOM 0 HG3 LYS A 73 8.003 0.147 -6.555 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.055 1.269 -8.414 1.00 0.00 H new ATOM 0 HD3 LYS A 73 6.975 -0.430 -8.838 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.582 -0.371 -7.795 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.728 1.373 -7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.650 0.472 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.135 1.177 -10.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.993 -0.513 -10.183 1.00 0.00 H new ATOM 1080 N GLN A 74 7.998 -4.336 -4.522 1.00 0.00 N ATOM 1081 CA GLN A 74 7.722 -5.735 -4.219 1.00 0.00 C ATOM 1082 C GLN A 74 8.651 -6.249 -3.123 1.00 0.00 C ATOM 1083 O GLN A 74 9.867 -6.068 -3.192 1.00 0.00 O ATOM 1084 CB GLN A 74 7.875 -6.592 -5.477 1.00 0.00 C ATOM 1085 CG GLN A 74 7.845 -8.087 -5.203 1.00 0.00 C ATOM 1086 CD GLN A 74 8.316 -8.907 -6.388 1.00 0.00 C ATOM 1087 OE1 GLN A 74 8.882 -8.372 -7.342 1.00 0.00 O ATOM 1088 NE2 GLN A 74 8.084 -10.213 -6.333 1.00 0.00 N ATOM 0 H GLN A 74 8.951 -4.039 -4.313 1.00 0.00 H new ATOM 0 HA GLN A 74 6.695 -5.807 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 74 7.076 -6.343 -6.175 1.00 0.00 H new ATOM 0 HB3 GLN A 74 8.816 -6.340 -5.966 1.00 0.00 H new ATOM 0 HG2 GLN A 74 8.474 -8.307 -4.341 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.830 -8.384 -4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 74 7.612 -10.613 -5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 74 8.378 -10.816 -7.101 1.00 0.00 H new ATOM 1097 N PHE A 75 8.071 -6.889 -2.114 1.00 0.00 N ATOM 1098 CA PHE A 75 8.847 -7.428 -1.003 1.00 0.00 C ATOM 1099 C PHE A 75 8.370 -8.831 -0.637 1.00 0.00 C ATOM 1100 O PHE A 75 7.185 -9.146 -0.748 1.00 0.00 O ATOM 1101 CB PHE A 75 8.741 -6.507 0.214 1.00 0.00 C ATOM 1102 CG PHE A 75 9.436 -7.043 1.433 1.00 0.00 C ATOM 1103 CD1 PHE A 75 10.704 -7.595 1.337 1.00 0.00 C ATOM 1104 CD2 PHE A 75 8.823 -6.994 2.674 1.00 0.00 C ATOM 1105 CE1 PHE A 75 11.345 -8.090 2.457 1.00 0.00 C ATOM 1106 CE2 PHE A 75 9.460 -7.486 3.798 1.00 0.00 C ATOM 1107 CZ PHE A 75 10.723 -8.034 3.689 1.00 0.00 C ATOM 0 H PHE A 75 7.066 -7.047 -2.042 1.00 0.00 H new ATOM 0 HA PHE A 75 9.890 -7.488 -1.315 1.00 0.00 H new ATOM 0 HB2 PHE A 75 9.165 -5.535 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 75 7.689 -6.346 0.447 1.00 0.00 H new ATOM 0 HD1 PHE A 75 11.196 -7.639 0.377 1.00 0.00 H new ATOM 0 HD2 PHE A 75 7.835 -6.566 2.765 1.00 0.00 H new ATOM 0 HE1 PHE A 75 12.332 -8.520 2.369 1.00 0.00 H new ATOM 0 HE2 PHE A 75 8.971 -7.442 4.760 1.00 0.00 H new ATOM 0 HZ PHE A 75 11.223 -8.418 4.566 1.00 0.00 H new ATOM 1117 N LYS A 76 9.303 -9.670 -0.199 1.00 0.00 N ATOM 1118 CA LYS A 76 8.981 -11.039 0.185 1.00 0.00 C ATOM 1119 C LYS A 76 9.509 -11.351 1.582 1.00 0.00 C ATOM 1120 O LYS A 76 10.715 -11.506 1.779 1.00 0.00 O ATOM 1121 CB LYS A 76 9.568 -12.026 -0.826 1.00 0.00 C ATOM 1122 CG LYS A 76 9.280 -13.480 -0.495 1.00 0.00 C ATOM 1123 CD LYS A 76 9.958 -14.421 -1.477 1.00 0.00 C ATOM 1124 CE LYS A 76 10.019 -15.841 -0.937 1.00 0.00 C ATOM 1125 NZ LYS A 76 10.855 -16.725 -1.795 1.00 0.00 N ATOM 0 H LYS A 76 10.288 -9.425 -0.101 1.00 0.00 H new ATOM 0 HA LYS A 76 7.896 -11.141 0.195 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.168 -11.801 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.647 -11.881 -0.878 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.624 -13.699 0.516 1.00 0.00 H new ATOM 0 HG3 LYS A 76 8.204 -13.651 -0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 76 9.416 -14.413 -2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 76 10.967 -14.066 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.425 -15.828 0.075 1.00 0.00 H new ATOM 0 HE3 LYS A 76 9.010 -16.248 -0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 10.871 -17.684 -1.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 10.454 -16.758 -2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.824 -16.351 -1.838 1.00 0.00 H new ATOM 1139 N ILE A 77 8.600 -11.443 2.546 1.00 0.00 N ATOM 1140 CA ILE A 77 8.976 -11.739 3.923 1.00 0.00 C ATOM 1141 C ILE A 77 9.177 -13.237 4.128 1.00 0.00 C ATOM 1142 O ILE A 77 8.219 -14.011 4.115 1.00 0.00 O ATOM 1143 CB ILE A 77 7.914 -11.234 4.917 1.00 0.00 C ATOM 1144 CG1 ILE A 77 7.748 -9.718 4.794 1.00 0.00 C ATOM 1145 CG2 ILE A 77 8.295 -11.617 6.340 1.00 0.00 C ATOM 1146 CD1 ILE A 77 6.352 -9.234 5.118 1.00 0.00 C ATOM 0 H ILE A 77 7.598 -11.317 2.399 1.00 0.00 H new ATOM 0 HA ILE A 77 9.915 -11.220 4.113 1.00 0.00 H new ATOM 0 HB ILE A 77 6.961 -11.705 4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.457 -9.228 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 77 8.003 -9.414 3.779 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.534 -11.253 7.031 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.367 -12.702 6.418 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.257 -11.171 6.592 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.308 -8.150 5.010 1.00 0.00 H new ATOM 0 HD12 ILE A 77 5.639 -9.696 4.435 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.101 -9.507 6.143 1.00 0.00 H new ATOM 1158 N THR A 78 10.429 -13.640 4.321 1.00 0.00 N ATOM 1159 CA THR A 78 10.757 -15.044 4.530 1.00 0.00 C ATOM 1160 C THR A 78 10.808 -15.382 6.016 1.00 0.00 C ATOM 1161 O THR A 78 10.712 -14.498 6.867 1.00 0.00 O ATOM 1162 CB THR A 78 12.107 -15.408 3.885 1.00 0.00 C ATOM 1163 OG1 THR A 78 13.130 -14.526 4.360 1.00 0.00 O ATOM 1164 CG2 THR A 78 12.023 -15.326 2.368 1.00 0.00 C ATOM 0 H THR A 78 11.233 -13.013 4.337 1.00 0.00 H new ATOM 0 HA THR A 78 9.968 -15.627 4.055 1.00 0.00 H new ATOM 0 HB THR A 78 12.353 -16.433 4.164 1.00 0.00 H new ATOM 0 HG1 THR A 78 13.986 -14.765 3.947 1.00 0.00 H new ATOM 0 HG21 THR A 78 12.989 -15.587 1.935 1.00 0.00 H new ATOM 0 HG22 THR A 78 11.264 -16.020 2.008 1.00 0.00 H new ATOM 0 HG23 THR A 78 11.756 -14.311 2.073 1.00 0.00 H new ATOM 1172 N LYS A 79 10.962 -16.666 6.321 1.00 0.00 N ATOM 1173 CA LYS A 79 11.029 -17.121 7.705 1.00 0.00 C ATOM 1174 C LYS A 79 9.716 -16.848 8.431 1.00 0.00 C ATOM 1175 O LYS A 79 9.701 -16.231 9.498 1.00 0.00 O ATOM 1176 CB LYS A 79 12.182 -16.429 8.435 1.00 0.00 C ATOM 1177 CG LYS A 79 13.526 -16.598 7.748 1.00 0.00 C ATOM 1178 CD LYS A 79 14.261 -17.827 8.254 1.00 0.00 C ATOM 1179 CE LYS A 79 13.951 -19.051 7.405 1.00 0.00 C ATOM 1180 NZ LYS A 79 14.681 -19.026 6.108 1.00 0.00 N ATOM 0 H LYS A 79 11.043 -17.410 5.628 1.00 0.00 H new ATOM 0 HA LYS A 79 11.204 -18.197 7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.959 -15.366 8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 79 12.249 -16.825 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 79 13.377 -16.680 6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 79 14.137 -15.712 7.919 1.00 0.00 H new ATOM 0 HD2 LYS A 79 15.335 -17.639 8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 79 13.979 -18.020 9.289 1.00 0.00 H new ATOM 0 HE2 LYS A 79 14.220 -19.952 7.956 1.00 0.00 H new ATOM 0 HE3 LYS A 79 12.878 -19.100 7.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 14.130 -19.538 5.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 14.815 -18.040 5.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 15.609 -19.482 6.223 1.00 0.00 H new ATOM 1194 N LEU A 80 8.615 -17.310 7.849 1.00 0.00 N ATOM 1195 CA LEU A 80 7.296 -17.117 8.442 1.00 0.00 C ATOM 1196 C LEU A 80 6.649 -18.457 8.779 1.00 0.00 C ATOM 1197 O LEU A 80 7.263 -19.512 8.620 1.00 0.00 O ATOM 1198 CB LEU A 80 6.397 -16.329 7.489 1.00 0.00 C ATOM 1199 CG LEU A 80 6.833 -14.895 7.186 1.00 0.00 C ATOM 1200 CD1 LEU A 80 5.919 -14.268 6.145 1.00 0.00 C ATOM 1201 CD2 LEU A 80 6.845 -14.061 8.459 1.00 0.00 C ATOM 0 H LEU A 80 8.609 -17.821 6.966 1.00 0.00 H new ATOM 0 HA LEU A 80 7.419 -16.552 9.366 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.333 -16.875 6.548 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.392 -16.301 7.910 1.00 0.00 H new ATOM 0 HG LEU A 80 7.845 -14.921 6.783 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.245 -13.248 5.942 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.961 -14.852 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.896 -14.254 6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.158 -13.043 8.224 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.845 -14.043 8.891 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.541 -14.499 9.174 1.00 0.00 H new ATOM 1213 N SER A 81 5.405 -18.407 9.244 1.00 0.00 N ATOM 1214 CA SER A 81 4.675 -19.616 9.605 1.00 0.00 C ATOM 1215 C SER A 81 3.263 -19.591 9.027 1.00 0.00 C ATOM 1216 O SER A 81 2.699 -18.534 8.744 1.00 0.00 O ATOM 1217 CB SER A 81 4.612 -19.765 11.126 1.00 0.00 C ATOM 1218 OG SER A 81 4.330 -18.523 11.749 1.00 0.00 O ATOM 0 H SER A 81 4.882 -17.542 9.380 1.00 0.00 H new ATOM 0 HA SER A 81 5.206 -20.470 9.185 1.00 0.00 H new ATOM 0 HB2 SER A 81 3.844 -20.491 11.392 1.00 0.00 H new ATOM 0 HB3 SER A 81 5.561 -20.154 11.496 1.00 0.00 H new ATOM 0 HG SER A 81 4.293 -18.645 12.721 1.00 0.00 H new ATOM 1224 N PRO A 82 2.677 -20.784 8.846 1.00 0.00 N ATOM 1225 CA PRO A 82 1.324 -20.928 8.301 1.00 0.00 C ATOM 1226 C PRO A 82 0.253 -20.439 9.271 1.00 0.00 C ATOM 1227 O PRO A 82 0.549 -20.093 10.414 1.00 0.00 O ATOM 1228 CB PRO A 82 1.191 -22.436 8.074 1.00 0.00 C ATOM 1229 CG PRO A 82 2.143 -23.050 9.041 1.00 0.00 C ATOM 1230 CD PRO A 82 3.290 -22.085 9.162 1.00 0.00 C ATOM 0 HA PRO A 82 1.183 -20.333 7.398 1.00 0.00 H new ATOM 0 HB2 PRO A 82 0.171 -22.775 8.254 1.00 0.00 H new ATOM 0 HB3 PRO A 82 1.440 -22.705 7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 82 1.667 -23.213 10.008 1.00 0.00 H new ATOM 0 HG3 PRO A 82 2.486 -24.022 8.687 1.00 0.00 H new ATOM 0 HD2 PRO A 82 3.719 -22.094 10.164 1.00 0.00 H new ATOM 0 HD3 PRO A 82 4.095 -22.329 8.469 1.00 0.00 H new ATOM 1238 N ALA A 83 -0.992 -20.413 8.807 1.00 0.00 N ATOM 1239 CA ALA A 83 -2.106 -19.969 9.634 1.00 0.00 C ATOM 1240 C ALA A 83 -1.681 -18.842 10.569 1.00 0.00 C ATOM 1241 O ALA A 83 -2.031 -18.836 11.749 1.00 0.00 O ATOM 1242 CB ALA A 83 -2.669 -21.136 10.432 1.00 0.00 C ATOM 0 H ALA A 83 -1.254 -20.694 7.862 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.885 -19.585 8.975 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.501 -20.790 11.045 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.020 -21.909 9.748 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -1.890 -21.546 11.075 1.00 0.00 H new ATOM 1248 N MET A 84 -0.923 -17.890 10.035 1.00 0.00 N ATOM 1249 CA MET A 84 -0.450 -16.758 10.823 1.00 0.00 C ATOM 1250 C MET A 84 -0.999 -15.445 10.273 1.00 0.00 C ATOM 1251 O MET A 84 -0.407 -14.839 9.381 1.00 0.00 O ATOM 1252 CB MET A 84 1.079 -16.720 10.835 1.00 0.00 C ATOM 1253 CG MET A 84 1.651 -15.474 11.491 1.00 0.00 C ATOM 1254 SD MET A 84 3.339 -15.122 10.961 1.00 0.00 S ATOM 1255 CE MET A 84 3.036 -14.192 9.461 1.00 0.00 C ATOM 0 H MET A 84 -0.623 -17.880 9.060 1.00 0.00 H new ATOM 0 HA MET A 84 -0.811 -16.883 11.844 1.00 0.00 H new ATOM 0 HB2 MET A 84 1.452 -17.600 11.359 1.00 0.00 H new ATOM 0 HB3 MET A 84 1.444 -16.781 9.810 1.00 0.00 H new ATOM 0 HG2 MET A 84 1.015 -14.620 11.256 1.00 0.00 H new ATOM 0 HG3 MET A 84 1.633 -15.597 12.574 1.00 0.00 H new ATOM 0 HE1 MET A 84 3.413 -14.751 8.604 1.00 0.00 H new ATOM 0 HE2 MET A 84 1.965 -14.028 9.345 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.546 -13.230 9.520 1.00 0.00 H new ATOM 1265 N GLY A 85 -2.135 -15.012 10.811 1.00 0.00 N ATOM 1266 CA GLY A 85 -2.744 -13.774 10.360 1.00 0.00 C ATOM 1267 C GLY A 85 -1.834 -12.577 10.552 1.00 0.00 C ATOM 1268 O GLY A 85 -1.520 -12.201 11.682 1.00 0.00 O ATOM 0 H GLY A 85 -2.644 -15.496 11.551 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.004 -13.864 9.305 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.674 -13.611 10.905 1.00 0.00 H new ATOM 1272 N CYS A 86 -1.409 -11.976 9.446 1.00 0.00 N ATOM 1273 CA CYS A 86 -0.527 -10.816 9.497 1.00 0.00 C ATOM 1274 C CYS A 86 -1.068 -9.684 8.629 1.00 0.00 C ATOM 1275 O CYS A 86 -1.450 -9.897 7.478 1.00 0.00 O ATOM 1276 CB CYS A 86 0.881 -11.198 9.038 1.00 0.00 C ATOM 1277 SG CYS A 86 0.937 -12.004 7.420 1.00 0.00 S ATOM 0 H CYS A 86 -1.661 -12.273 8.503 1.00 0.00 H new ATOM 0 HA CYS A 86 -0.483 -10.470 10.530 1.00 0.00 H new ATOM 0 HB2 CYS A 86 1.497 -10.300 9.006 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.325 -11.863 9.779 1.00 0.00 H new ATOM 0 HG CYS A 86 1.040 -11.102 6.489 1.00 0.00 H new ATOM 1283 N LYS A 87 -1.099 -8.479 9.189 1.00 0.00 N ATOM 1284 CA LYS A 87 -1.593 -7.312 8.468 1.00 0.00 C ATOM 1285 C LYS A 87 -0.442 -6.536 7.835 1.00 0.00 C ATOM 1286 O LYS A 87 0.724 -6.763 8.157 1.00 0.00 O ATOM 1287 CB LYS A 87 -2.379 -6.399 9.412 1.00 0.00 C ATOM 1288 CG LYS A 87 -3.710 -6.983 9.855 1.00 0.00 C ATOM 1289 CD LYS A 87 -4.514 -5.983 10.668 1.00 0.00 C ATOM 1290 CE LYS A 87 -6.009 -6.237 10.545 1.00 0.00 C ATOM 1291 NZ LYS A 87 -6.810 -5.157 11.184 1.00 0.00 N ATOM 0 H LYS A 87 -0.787 -8.285 10.141 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.254 -7.659 7.674 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.771 -6.192 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -2.557 -5.445 8.916 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -4.284 -7.287 8.980 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.535 -7.880 10.449 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.219 -6.043 11.716 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -4.287 -4.972 10.330 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -6.279 -6.314 9.492 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -6.254 -7.193 11.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.823 -5.367 11.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.572 -5.100 12.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -6.596 -4.248 10.726 1.00 0.00 H new ATOM 1305 N PHE A 88 -0.778 -5.620 6.933 1.00 0.00 N ATOM 1306 CA PHE A 88 0.227 -4.810 6.255 1.00 0.00 C ATOM 1307 C PHE A 88 -0.337 -3.442 5.882 1.00 0.00 C ATOM 1308 O PHE A 88 -1.531 -3.186 6.043 1.00 0.00 O ATOM 1309 CB PHE A 88 0.728 -5.527 5.000 1.00 0.00 C ATOM 1310 CG PHE A 88 1.213 -6.925 5.261 1.00 0.00 C ATOM 1311 CD1 PHE A 88 0.313 -7.965 5.426 1.00 0.00 C ATOM 1312 CD2 PHE A 88 2.569 -7.197 5.342 1.00 0.00 C ATOM 1313 CE1 PHE A 88 0.757 -9.252 5.666 1.00 0.00 C ATOM 1314 CE2 PHE A 88 3.018 -8.482 5.582 1.00 0.00 C ATOM 1315 CZ PHE A 88 2.111 -9.511 5.745 1.00 0.00 C ATOM 0 H PHE A 88 -1.739 -5.420 6.655 1.00 0.00 H new ATOM 0 HA PHE A 88 1.062 -4.664 6.940 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -0.077 -5.561 4.265 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.538 -4.946 4.559 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.747 -7.768 5.366 1.00 0.00 H new ATOM 0 HD2 PHE A 88 3.283 -6.396 5.216 1.00 0.00 H new ATOM 0 HE1 PHE A 88 0.045 -10.054 5.792 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.078 -8.681 5.642 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.460 -10.515 5.934 1.00 0.00 H new ATOM 1325 N ARG A 89 0.530 -2.567 5.383 1.00 0.00 N ATOM 1326 CA ARG A 89 0.119 -1.225 4.988 1.00 0.00 C ATOM 1327 C ARG A 89 1.193 -0.557 4.134 1.00 0.00 C ATOM 1328 O ARG A 89 2.377 -0.587 4.472 1.00 0.00 O ATOM 1329 CB ARG A 89 -0.168 -0.372 6.225 1.00 0.00 C ATOM 1330 CG ARG A 89 1.005 -0.283 7.188 1.00 0.00 C ATOM 1331 CD ARG A 89 0.799 0.819 8.216 1.00 0.00 C ATOM 1332 NE ARG A 89 -0.203 0.455 9.215 1.00 0.00 N ATOM 1333 CZ ARG A 89 -0.342 1.082 10.378 1.00 0.00 C ATOM 1334 NH1 ARG A 89 0.452 2.098 10.686 1.00 0.00 N ATOM 1335 NH2 ARG A 89 -1.277 0.693 11.235 1.00 0.00 N ATOM 0 H ARG A 89 1.521 -2.763 5.243 1.00 0.00 H new ATOM 0 HA ARG A 89 -0.791 -1.310 4.395 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -0.443 0.634 5.907 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.028 -0.787 6.751 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.132 -1.238 7.697 1.00 0.00 H new ATOM 0 HG3 ARG A 89 1.922 -0.095 6.630 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.745 1.033 8.713 1.00 0.00 H new ATOM 0 HD3 ARG A 89 0.491 1.734 7.710 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.830 -0.323 9.008 1.00 0.00 H new ATOM 0 HH11 ARG A 89 1.172 2.400 10.029 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.343 2.578 11.580 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.890 -0.088 11.001 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.383 1.175 12.128 1.00 0.00 H new ATOM 1349 N LEU A 90 0.772 0.044 3.027 1.00 0.00 N ATOM 1350 CA LEU A 90 1.697 0.719 2.124 1.00 0.00 C ATOM 1351 C LEU A 90 1.494 2.231 2.166 1.00 0.00 C ATOM 1352 O LEU A 90 0.363 2.716 2.130 1.00 0.00 O ATOM 1353 CB LEU A 90 1.510 0.208 0.694 1.00 0.00 C ATOM 1354 CG LEU A 90 2.476 0.768 -0.351 1.00 0.00 C ATOM 1355 CD1 LEU A 90 3.834 0.093 -0.237 1.00 0.00 C ATOM 1356 CD2 LEU A 90 1.907 0.592 -1.751 1.00 0.00 C ATOM 0 H LEU A 90 -0.204 0.078 2.733 1.00 0.00 H new ATOM 0 HA LEU A 90 2.712 0.498 2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 90 1.605 -0.878 0.702 1.00 0.00 H new ATOM 0 HB3 LEU A 90 0.492 0.437 0.378 1.00 0.00 H new ATOM 0 HG LEU A 90 2.606 1.834 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.509 0.504 -0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.246 0.270 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 90 3.722 -0.979 -0.398 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.607 0.996 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 90 1.748 -0.468 -1.948 1.00 0.00 H new ATOM 0 HD23 LEU A 90 0.957 1.122 -1.827 1.00 0.00 H new ATOM 1368 N SER A 91 2.597 2.969 2.242 1.00 0.00 N ATOM 1369 CA SER A 91 2.540 4.425 2.290 1.00 0.00 C ATOM 1370 C SER A 91 3.680 5.040 1.485 1.00 0.00 C ATOM 1371 O SER A 91 4.778 4.489 1.422 1.00 0.00 O ATOM 1372 CB SER A 91 2.605 4.911 3.740 1.00 0.00 C ATOM 1373 OG SER A 91 3.913 4.772 4.266 1.00 0.00 O ATOM 0 H SER A 91 3.540 2.583 2.272 1.00 0.00 H new ATOM 0 HA SER A 91 1.595 4.742 1.849 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.298 5.956 3.791 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.902 4.343 4.349 1.00 0.00 H new ATOM 0 HG SER A 91 3.861 4.555 5.220 1.00 0.00 H new ATOM 1379 N ALA A 92 3.409 6.187 0.870 1.00 0.00 N ATOM 1380 CA ALA A 92 4.411 6.880 0.069 1.00 0.00 C ATOM 1381 C ALA A 92 4.991 8.070 0.825 1.00 0.00 C ATOM 1382 O ALA A 92 4.261 8.825 1.467 1.00 0.00 O ATOM 1383 CB ALA A 92 3.810 7.333 -1.253 1.00 0.00 C ATOM 0 H ALA A 92 2.504 6.656 0.911 1.00 0.00 H new ATOM 0 HA ALA A 92 5.223 6.182 -0.135 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.570 7.849 -1.840 1.00 0.00 H new ATOM 0 HB2 ALA A 92 3.451 6.465 -1.806 1.00 0.00 H new ATOM 0 HB3 ALA A 92 2.978 8.010 -1.061 1.00 0.00 H new ATOM 1389 N ARG A 93 6.308 8.232 0.745 1.00 0.00 N ATOM 1390 CA ARG A 93 6.985 9.330 1.424 1.00 0.00 C ATOM 1391 C ARG A 93 7.889 10.091 0.458 1.00 0.00 C ATOM 1392 O ARG A 93 8.698 9.495 -0.251 1.00 0.00 O ATOM 1393 CB ARG A 93 7.809 8.801 2.600 1.00 0.00 C ATOM 1394 CG ARG A 93 8.678 9.858 3.260 1.00 0.00 C ATOM 1395 CD ARG A 93 9.698 9.234 4.199 1.00 0.00 C ATOM 1396 NE ARG A 93 10.338 10.232 5.053 1.00 0.00 N ATOM 1397 CZ ARG A 93 11.172 9.927 6.041 1.00 0.00 C ATOM 1398 NH1 ARG A 93 11.466 8.660 6.298 1.00 0.00 N ATOM 1399 NH2 ARG A 93 11.714 10.891 6.775 1.00 0.00 N ATOM 0 H ARG A 93 6.927 7.617 0.217 1.00 0.00 H new ATOM 0 HA ARG A 93 6.225 10.015 1.801 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.134 8.381 3.345 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.444 7.987 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.194 10.437 2.494 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.048 10.553 3.815 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.208 8.485 4.821 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.458 8.715 3.615 1.00 0.00 H new ATOM 0 HE ARG A 93 10.133 11.216 4.881 1.00 0.00 H new ATOM 0 HH11 ARG A 93 11.051 7.916 5.736 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.107 8.429 7.057 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.490 11.867 6.581 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.354 10.656 7.533 1.00 0.00 H new ATOM 1413 N ASN A 94 7.744 11.412 0.437 1.00 0.00 N ATOM 1414 CA ASN A 94 8.546 12.255 -0.442 1.00 0.00 C ATOM 1415 C ASN A 94 9.441 13.188 0.367 1.00 0.00 C ATOM 1416 O ASN A 94 9.332 13.264 1.591 1.00 0.00 O ATOM 1417 CB ASN A 94 7.640 13.073 -1.365 1.00 0.00 C ATOM 1418 CG ASN A 94 6.639 13.913 -0.596 1.00 0.00 C ATOM 1419 OD1 ASN A 94 6.638 13.926 0.635 1.00 0.00 O ATOM 1420 ND2 ASN A 94 5.780 14.620 -1.321 1.00 0.00 N ATOM 0 H ASN A 94 7.079 11.922 1.019 1.00 0.00 H new ATOM 0 HA ASN A 94 9.180 11.606 -1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 94 8.253 13.724 -1.988 1.00 0.00 H new ATOM 0 HB3 ASN A 94 7.106 12.400 -2.036 1.00 0.00 H new ATOM 0 HD21 ASN A 94 5.083 15.204 -0.859 1.00 0.00 H new ATOM 0 HD22 ASN A 94 5.817 14.579 -2.339 1.00 0.00 H new ATOM 1427 N ASP A 95 10.326 13.898 -0.325 1.00 0.00 N ATOM 1428 CA ASP A 95 11.239 14.828 0.328 1.00 0.00 C ATOM 1429 C ASP A 95 10.565 15.509 1.515 1.00 0.00 C ATOM 1430 O ASP A 95 11.217 15.847 2.503 1.00 0.00 O ATOM 1431 CB ASP A 95 11.729 15.880 -0.668 1.00 0.00 C ATOM 1432 CG ASP A 95 12.555 16.965 -0.005 1.00 0.00 C ATOM 1433 OD1 ASP A 95 12.035 17.624 0.919 1.00 0.00 O ATOM 1434 OD2 ASP A 95 13.720 17.156 -0.412 1.00 0.00 O ATOM 0 H ASP A 95 10.430 13.847 -1.338 1.00 0.00 H new ATOM 0 HA ASP A 95 12.094 14.260 0.695 1.00 0.00 H new ATOM 0 HB2 ASP A 95 12.325 15.395 -1.441 1.00 0.00 H new ATOM 0 HB3 ASP A 95 10.871 16.333 -1.165 1.00 0.00 H new ATOM 1439 N TYR A 96 9.256 15.707 1.411 1.00 0.00 N ATOM 1440 CA TYR A 96 8.493 16.351 2.474 1.00 0.00 C ATOM 1441 C TYR A 96 8.322 15.414 3.666 1.00 0.00 C ATOM 1442 O TYR A 96 8.851 15.663 4.748 1.00 0.00 O ATOM 1443 CB TYR A 96 7.123 16.789 1.954 1.00 0.00 C ATOM 1444 CG TYR A 96 7.194 17.849 0.878 1.00 0.00 C ATOM 1445 CD1 TYR A 96 7.387 17.504 -0.454 1.00 0.00 C ATOM 1446 CD2 TYR A 96 7.067 19.196 1.194 1.00 0.00 C ATOM 1447 CE1 TYR A 96 7.453 18.469 -1.440 1.00 0.00 C ATOM 1448 CE2 TYR A 96 7.131 20.168 0.214 1.00 0.00 C ATOM 1449 CZ TYR A 96 7.324 19.800 -1.101 1.00 0.00 C ATOM 1450 OH TYR A 96 7.389 20.764 -2.080 1.00 0.00 O ATOM 0 H TYR A 96 8.701 15.431 0.601 1.00 0.00 H new ATOM 0 HA TYR A 96 9.047 17.230 2.803 1.00 0.00 H new ATOM 0 HB2 TYR A 96 6.598 15.919 1.561 1.00 0.00 H new ATOM 0 HB3 TYR A 96 6.532 17.168 2.787 1.00 0.00 H new ATOM 0 HD1 TYR A 96 7.487 16.463 -0.723 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.916 19.488 2.223 1.00 0.00 H new ATOM 0 HE1 TYR A 96 7.605 18.183 -2.470 1.00 0.00 H new ATOM 0 HE2 TYR A 96 7.030 21.211 0.477 1.00 0.00 H new ATOM 0 HH TYR A 96 7.279 21.650 -1.675 1.00 0.00 H new ATOM 1460 N GLY A 97 7.577 14.332 3.457 1.00 0.00 N ATOM 1461 CA GLY A 97 7.348 13.373 4.522 1.00 0.00 C ATOM 1462 C GLY A 97 6.456 12.227 4.088 1.00 0.00 C ATOM 1463 O GLY A 97 5.965 12.205 2.958 1.00 0.00 O ATOM 0 H GLY A 97 7.129 14.103 2.570 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.305 12.976 4.861 1.00 0.00 H new ATOM 0 HA3 GLY A 97 6.894 13.881 5.373 1.00 0.00 H new ATOM 1467 N THR A 98 6.245 11.270 4.986 1.00 0.00 N ATOM 1468 CA THR A 98 5.408 10.114 4.689 1.00 0.00 C ATOM 1469 C THR A 98 3.929 10.481 4.728 1.00 0.00 C ATOM 1470 O THR A 98 3.461 11.108 5.678 1.00 0.00 O ATOM 1471 CB THR A 98 5.667 8.964 5.681 1.00 0.00 C ATOM 1472 OG1 THR A 98 7.034 8.546 5.601 1.00 0.00 O ATOM 1473 CG2 THR A 98 4.752 7.783 5.391 1.00 0.00 C ATOM 0 H THR A 98 6.642 11.273 5.925 1.00 0.00 H new ATOM 0 HA THR A 98 5.670 9.783 3.684 1.00 0.00 H new ATOM 0 HB THR A 98 5.457 9.327 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.191 7.816 6.236 1.00 0.00 H new ATOM 0 HG21 THR A 98 4.953 6.983 6.104 1.00 0.00 H new ATOM 0 HG22 THR A 98 3.712 8.097 5.482 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.934 7.421 4.379 1.00 0.00 H new ATOM 1481 N SER A 99 3.198 10.086 3.691 1.00 0.00 N ATOM 1482 CA SER A 99 1.772 10.376 3.605 1.00 0.00 C ATOM 1483 C SER A 99 0.951 9.262 4.248 1.00 0.00 C ATOM 1484 O SER A 99 1.423 8.136 4.399 1.00 0.00 O ATOM 1485 CB SER A 99 1.353 10.556 2.145 1.00 0.00 C ATOM 1486 OG SER A 99 1.555 9.364 1.406 1.00 0.00 O ATOM 0 H SER A 99 3.570 9.564 2.898 1.00 0.00 H new ATOM 0 HA SER A 99 1.582 11.303 4.147 1.00 0.00 H new ATOM 0 HB2 SER A 99 0.303 10.843 2.098 1.00 0.00 H new ATOM 0 HB3 SER A 99 1.926 11.367 1.696 1.00 0.00 H new ATOM 0 HG SER A 99 2.516 9.190 1.321 1.00 0.00 H new ATOM 1492 N GLY A 100 -0.282 9.586 4.625 1.00 0.00 N ATOM 1493 CA GLY A 100 -1.150 8.603 5.247 1.00 0.00 C ATOM 1494 C GLY A 100 -0.932 7.207 4.697 1.00 0.00 C ATOM 1495 O GLY A 100 -0.593 7.039 3.525 1.00 0.00 O ATOM 0 H GLY A 100 -0.695 10.511 4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -0.976 8.598 6.323 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -2.190 8.892 5.094 1.00 0.00 H new ATOM 1499 N PHE A 101 -1.125 6.202 5.545 1.00 0.00 N ATOM 1500 CA PHE A 101 -0.944 4.813 5.139 1.00 0.00 C ATOM 1501 C PHE A 101 -2.228 4.253 4.533 1.00 0.00 C ATOM 1502 O PHE A 101 -3.327 4.536 5.009 1.00 0.00 O ATOM 1503 CB PHE A 101 -0.518 3.961 6.336 1.00 0.00 C ATOM 1504 CG PHE A 101 0.766 4.415 6.968 1.00 0.00 C ATOM 1505 CD1 PHE A 101 0.794 5.536 7.783 1.00 0.00 C ATOM 1506 CD2 PHE A 101 1.946 3.722 6.748 1.00 0.00 C ATOM 1507 CE1 PHE A 101 1.974 5.957 8.366 1.00 0.00 C ATOM 1508 CE2 PHE A 101 3.129 4.138 7.329 1.00 0.00 C ATOM 1509 CZ PHE A 101 3.143 5.258 8.138 1.00 0.00 C ATOM 0 H PHE A 101 -1.407 6.324 6.518 1.00 0.00 H new ATOM 0 HA PHE A 101 -0.161 4.780 4.382 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -1.309 3.980 7.085 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.409 2.925 6.014 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -0.117 6.087 7.964 1.00 0.00 H new ATOM 0 HD2 PHE A 101 1.941 2.847 6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.982 6.832 8.999 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.041 3.588 7.151 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.067 5.586 8.591 1.00 0.00 H new ATOM 1519 N SER A 102 -2.079 3.457 3.478 1.00 0.00 N ATOM 1520 CA SER A 102 -3.226 2.860 2.804 1.00 0.00 C ATOM 1521 C SER A 102 -4.141 2.160 3.804 1.00 0.00 C ATOM 1522 O SER A 102 -3.891 2.180 5.008 1.00 0.00 O ATOM 1523 CB SER A 102 -2.757 1.865 1.740 1.00 0.00 C ATOM 1524 OG SER A 102 -2.213 0.701 2.336 1.00 0.00 O ATOM 0 H SER A 102 -1.176 3.211 3.072 1.00 0.00 H new ATOM 0 HA SER A 102 -3.789 3.659 2.322 1.00 0.00 H new ATOM 0 HB2 SER A 102 -3.595 1.591 1.099 1.00 0.00 H new ATOM 0 HB3 SER A 102 -2.008 2.335 1.103 1.00 0.00 H new ATOM 0 HG SER A 102 -2.729 -0.083 2.054 1.00 0.00 H new ATOM 1530 N GLU A 103 -5.201 1.541 3.293 1.00 0.00 N ATOM 1531 CA GLU A 103 -6.154 0.835 4.142 1.00 0.00 C ATOM 1532 C GLU A 103 -5.573 -0.491 4.626 1.00 0.00 C ATOM 1533 O GLU A 103 -5.158 -1.327 3.824 1.00 0.00 O ATOM 1534 CB GLU A 103 -7.459 0.586 3.383 1.00 0.00 C ATOM 1535 CG GLU A 103 -8.316 1.830 3.220 1.00 0.00 C ATOM 1536 CD GLU A 103 -9.798 1.515 3.161 1.00 0.00 C ATOM 1537 OE1 GLU A 103 -10.155 0.450 2.615 1.00 0.00 O ATOM 1538 OE2 GLU A 103 -10.599 2.332 3.660 1.00 0.00 O ATOM 0 H GLU A 103 -5.421 1.514 2.297 1.00 0.00 H new ATOM 0 HA GLU A 103 -6.361 1.460 5.011 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -7.225 0.185 2.397 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -8.035 -0.176 3.908 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -8.126 2.509 4.051 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -8.023 2.352 2.309 1.00 0.00 H new ATOM 1545 N GLU A 104 -5.547 -0.673 5.942 1.00 0.00 N ATOM 1546 CA GLU A 104 -5.016 -1.896 6.533 1.00 0.00 C ATOM 1547 C GLU A 104 -5.588 -3.129 5.839 1.00 0.00 C ATOM 1548 O GLU A 104 -6.771 -3.171 5.499 1.00 0.00 O ATOM 1549 CB GLU A 104 -5.334 -1.946 8.029 1.00 0.00 C ATOM 1550 CG GLU A 104 -4.820 -0.743 8.801 1.00 0.00 C ATOM 1551 CD GLU A 104 -5.542 -0.544 10.119 1.00 0.00 C ATOM 1552 OE1 GLU A 104 -5.113 -1.144 11.127 1.00 0.00 O ATOM 1553 OE2 GLU A 104 -6.536 0.212 10.144 1.00 0.00 O ATOM 0 H GLU A 104 -5.887 0.010 6.619 1.00 0.00 H new ATOM 0 HA GLU A 104 -3.934 -1.894 6.399 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.414 -2.017 8.160 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.901 -2.852 8.454 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -3.754 -0.866 8.990 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.934 0.152 8.190 1.00 0.00 H new ATOM 1560 N VAL A 105 -4.740 -4.130 5.630 1.00 0.00 N ATOM 1561 CA VAL A 105 -5.159 -5.365 4.977 1.00 0.00 C ATOM 1562 C VAL A 105 -4.720 -6.586 5.776 1.00 0.00 C ATOM 1563 O VAL A 105 -3.548 -6.721 6.132 1.00 0.00 O ATOM 1564 CB VAL A 105 -4.589 -5.466 3.550 1.00 0.00 C ATOM 1565 CG1 VAL A 105 -5.174 -4.378 2.663 1.00 0.00 C ATOM 1566 CG2 VAL A 105 -3.071 -5.386 3.576 1.00 0.00 C ATOM 0 H VAL A 105 -3.758 -4.110 5.904 1.00 0.00 H new ATOM 0 HA VAL A 105 -6.247 -5.342 4.925 1.00 0.00 H new ATOM 0 HB VAL A 105 -4.871 -6.432 3.132 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -4.760 -4.465 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -6.258 -4.488 2.619 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.925 -3.400 3.075 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.685 -5.459 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.764 -4.436 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.674 -6.206 4.174 1.00 0.00 H new ATOM 1576 N LEU A 106 -5.667 -7.475 6.056 1.00 0.00 N ATOM 1577 CA LEU A 106 -5.378 -8.688 6.813 1.00 0.00 C ATOM 1578 C LEU A 106 -5.212 -9.885 5.882 1.00 0.00 C ATOM 1579 O LEU A 106 -6.083 -10.170 5.060 1.00 0.00 O ATOM 1580 CB LEU A 106 -6.496 -8.962 7.820 1.00 0.00 C ATOM 1581 CG LEU A 106 -6.364 -10.249 8.636 1.00 0.00 C ATOM 1582 CD1 LEU A 106 -5.117 -10.205 9.505 1.00 0.00 C ATOM 1583 CD2 LEU A 106 -7.605 -10.469 9.490 1.00 0.00 C ATOM 0 H LEU A 106 -6.641 -7.379 5.770 1.00 0.00 H new ATOM 0 HA LEU A 106 -4.442 -8.537 7.350 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -6.549 -8.121 8.511 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -7.443 -8.992 7.282 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.270 -11.087 7.945 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -5.040 -11.129 10.078 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.236 -10.096 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -5.180 -9.358 10.189 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -7.493 -11.389 10.064 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -7.730 -9.629 10.173 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.481 -10.547 8.846 1.00 0.00 H new ATOM 1595 N TYR A 107 -4.090 -10.582 6.019 1.00 0.00 N ATOM 1596 CA TYR A 107 -3.809 -11.748 5.190 1.00 0.00 C ATOM 1597 C TYR A 107 -3.521 -12.973 6.052 1.00 0.00 C ATOM 1598 O TYR A 107 -3.347 -12.865 7.267 1.00 0.00 O ATOM 1599 CB TYR A 107 -2.622 -11.470 4.267 1.00 0.00 C ATOM 1600 CG TYR A 107 -2.972 -10.614 3.071 1.00 0.00 C ATOM 1601 CD1 TYR A 107 -3.563 -11.170 1.943 1.00 0.00 C ATOM 1602 CD2 TYR A 107 -2.712 -9.249 3.068 1.00 0.00 C ATOM 1603 CE1 TYR A 107 -3.884 -10.392 0.847 1.00 0.00 C ATOM 1604 CE2 TYR A 107 -3.031 -8.463 1.978 1.00 0.00 C ATOM 1605 CZ TYR A 107 -3.617 -9.039 0.870 1.00 0.00 C ATOM 1606 OH TYR A 107 -3.935 -8.260 -0.219 1.00 0.00 O ATOM 0 H TYR A 107 -3.360 -10.360 6.696 1.00 0.00 H new ATOM 0 HA TYR A 107 -4.692 -11.952 4.584 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -1.836 -10.977 4.839 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -2.214 -12.419 3.917 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -3.775 -12.229 1.922 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -2.252 -8.795 3.933 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -4.341 -10.841 -0.022 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.823 -7.403 1.993 1.00 0.00 H new ATOM 0 HH TYR A 107 -3.296 -7.520 -0.290 1.00 0.00 H new ATOM 1616 N TYR A 108 -3.471 -14.138 5.416 1.00 0.00 N ATOM 1617 CA TYR A 108 -3.206 -15.385 6.124 1.00 0.00 C ATOM 1618 C TYR A 108 -2.403 -16.346 5.252 1.00 0.00 C ATOM 1619 O TYR A 108 -2.891 -16.837 4.234 1.00 0.00 O ATOM 1620 CB TYR A 108 -4.519 -16.043 6.551 1.00 0.00 C ATOM 1621 CG TYR A 108 -4.977 -15.639 7.934 1.00 0.00 C ATOM 1622 CD1 TYR A 108 -5.646 -14.440 8.143 1.00 0.00 C ATOM 1623 CD2 TYR A 108 -4.738 -16.456 9.033 1.00 0.00 C ATOM 1624 CE1 TYR A 108 -6.066 -14.066 9.405 1.00 0.00 C ATOM 1625 CE2 TYR A 108 -5.155 -16.091 10.298 1.00 0.00 C ATOM 1626 CZ TYR A 108 -5.818 -14.895 10.479 1.00 0.00 C ATOM 1627 OH TYR A 108 -6.234 -14.528 11.739 1.00 0.00 O ATOM 0 H TYR A 108 -3.611 -14.245 4.411 1.00 0.00 H new ATOM 0 HA TYR A 108 -2.619 -15.151 7.012 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -5.296 -15.786 5.831 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -4.400 -17.126 6.519 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -5.841 -13.788 7.304 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -4.217 -17.392 8.895 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -6.585 -13.130 9.550 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -4.963 -16.738 11.141 1.00 0.00 H new ATOM 0 HH TYR A 108 -5.982 -15.223 12.382 1.00 0.00 H new ATOM 1637 N THR A 109 -1.165 -16.612 5.661 1.00 0.00 N ATOM 1638 CA THR A 109 -0.293 -17.513 4.919 1.00 0.00 C ATOM 1639 C THR A 109 -1.040 -18.768 4.485 1.00 0.00 C ATOM 1640 O THR A 109 -2.064 -19.125 5.067 1.00 0.00 O ATOM 1641 CB THR A 109 0.934 -17.922 5.756 1.00 0.00 C ATOM 1642 OG1 THR A 109 0.568 -18.042 7.135 1.00 0.00 O ATOM 1643 CG2 THR A 109 2.054 -16.903 5.609 1.00 0.00 C ATOM 0 H THR A 109 -0.745 -16.216 6.502 1.00 0.00 H new ATOM 0 HA THR A 109 0.044 -16.971 4.035 1.00 0.00 H new ATOM 0 HB THR A 109 1.291 -18.885 5.391 1.00 0.00 H new ATOM 0 HG1 THR A 109 1.377 -18.124 7.682 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.909 -17.213 6.209 1.00 0.00 H new ATOM 0 HG22 THR A 109 2.350 -16.836 4.562 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.706 -15.928 5.950 1.00 0.00 H new ATOM 1651 N SER A 110 -0.521 -19.436 3.459 1.00 0.00 N ATOM 1652 CA SER A 110 -1.142 -20.651 2.945 1.00 0.00 C ATOM 1653 C SER A 110 -1.615 -21.545 4.088 1.00 0.00 C ATOM 1654 O SER A 110 -1.189 -21.387 5.231 1.00 0.00 O ATOM 1655 CB SER A 110 -0.157 -21.416 2.058 1.00 0.00 C ATOM 1656 OG SER A 110 -0.255 -20.996 0.708 1.00 0.00 O ATOM 0 H SER A 110 0.328 -19.156 2.968 1.00 0.00 H new ATOM 0 HA SER A 110 -2.009 -20.363 2.350 1.00 0.00 H new ATOM 0 HB2 SER A 110 0.860 -21.259 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 110 -0.357 -22.485 2.125 1.00 0.00 H new ATOM 0 HG SER A 110 0.549 -20.492 0.463 1.00 0.00 H new ATOM 1662 N GLY A 111 -2.499 -22.485 3.768 1.00 0.00 N ATOM 1663 CA GLY A 111 -3.016 -23.390 4.778 1.00 0.00 C ATOM 1664 C GLY A 111 -4.389 -23.927 4.426 1.00 0.00 C ATOM 1665 O GLY A 111 -4.832 -23.816 3.283 1.00 0.00 O ATOM 0 H GLY A 111 -2.866 -22.636 2.828 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -2.324 -24.223 4.903 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -3.067 -22.871 5.735 1.00 0.00 H new ATOM 1669 N CYS A 112 -5.063 -24.512 5.410 1.00 0.00 N ATOM 1670 CA CYS A 112 -6.394 -25.071 5.198 1.00 0.00 C ATOM 1671 C CYS A 112 -7.453 -23.974 5.212 1.00 0.00 C ATOM 1672 O CYS A 112 -8.126 -23.760 6.220 1.00 0.00 O ATOM 1673 CB CYS A 112 -6.708 -26.114 6.272 1.00 0.00 C ATOM 1674 SG CYS A 112 -7.966 -27.318 5.785 1.00 0.00 S ATOM 0 H CYS A 112 -4.710 -24.612 6.362 1.00 0.00 H new ATOM 0 HA CYS A 112 -6.408 -25.551 4.220 1.00 0.00 H new ATOM 0 HB2 CYS A 112 -5.791 -26.645 6.527 1.00 0.00 H new ATOM 0 HB3 CYS A 112 -7.041 -25.602 7.175 1.00 0.00 H new ATOM 0 HG CYS A 112 -8.161 -28.159 6.757 1.00 0.00 H new ATOM 1680 N SER A 113 -7.594 -23.280 4.087 1.00 0.00 N ATOM 1681 CA SER A 113 -8.568 -22.201 3.971 1.00 0.00 C ATOM 1682 C SER A 113 -8.692 -21.438 5.287 1.00 0.00 C ATOM 1683 O SER A 113 -9.793 -21.104 5.723 1.00 0.00 O ATOM 1684 CB SER A 113 -9.932 -22.758 3.562 1.00 0.00 C ATOM 1685 OG SER A 113 -9.834 -23.527 2.376 1.00 0.00 O ATOM 0 H SER A 113 -7.046 -23.446 3.243 1.00 0.00 H new ATOM 0 HA SER A 113 -8.220 -21.512 3.202 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.333 -23.374 4.367 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.633 -21.937 3.410 1.00 0.00 H new ATOM 0 HG SER A 113 -10.719 -23.873 2.137 1.00 0.00 H new ATOM 1691 N GLY A 114 -7.552 -21.164 5.914 1.00 0.00 N ATOM 1692 CA GLY A 114 -7.553 -20.442 7.174 1.00 0.00 C ATOM 1693 C GLY A 114 -8.068 -21.285 8.324 1.00 0.00 C ATOM 1694 O GLY A 114 -8.651 -22.351 8.128 1.00 0.00 O ATOM 0 H GLY A 114 -6.628 -21.429 5.572 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.540 -20.107 7.398 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -8.170 -19.549 7.077 1.00 0.00 H new ATOM 1698 N PRO A 115 -7.852 -20.805 9.557 1.00 0.00 N ATOM 1699 CA PRO A 115 -8.290 -21.506 10.768 1.00 0.00 C ATOM 1700 C PRO A 115 -9.806 -21.499 10.925 1.00 0.00 C ATOM 1701 O PRO A 115 -10.412 -22.524 11.237 1.00 0.00 O ATOM 1702 CB PRO A 115 -7.631 -20.709 11.897 1.00 0.00 C ATOM 1703 CG PRO A 115 -7.432 -19.345 11.332 1.00 0.00 C ATOM 1704 CD PRO A 115 -7.163 -19.540 9.865 1.00 0.00 C ATOM 0 HA PRO A 115 -8.011 -22.560 10.753 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -8.264 -20.682 12.784 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -6.683 -21.156 12.196 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -8.315 -18.725 11.488 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -6.598 -18.839 11.818 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -7.555 -18.714 9.271 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -6.095 -19.603 9.657 1.00 0.00 H new ATOM 1712 N SER A 116 -10.414 -20.337 10.708 1.00 0.00 N ATOM 1713 CA SER A 116 -11.860 -20.197 10.829 1.00 0.00 C ATOM 1714 C SER A 116 -12.561 -20.682 9.564 1.00 0.00 C ATOM 1715 O SER A 116 -13.432 -20.000 9.022 1.00 0.00 O ATOM 1716 CB SER A 116 -12.231 -18.738 11.103 1.00 0.00 C ATOM 1717 OG SER A 116 -11.637 -17.873 10.150 1.00 0.00 O ATOM 0 H SER A 116 -9.928 -19.479 10.448 1.00 0.00 H new ATOM 0 HA SER A 116 -12.191 -20.813 11.666 1.00 0.00 H new ATOM 0 HB2 SER A 116 -13.315 -18.624 11.077 1.00 0.00 H new ATOM 0 HB3 SER A 116 -11.905 -18.459 12.105 1.00 0.00 H new ATOM 0 HG SER A 116 -11.891 -16.947 10.346 1.00 0.00 H new ATOM 1723 N SER A 117 -12.175 -21.865 9.098 1.00 0.00 N ATOM 1724 CA SER A 117 -12.762 -22.442 7.894 1.00 0.00 C ATOM 1725 C SER A 117 -14.267 -22.194 7.852 1.00 0.00 C ATOM 1726 O SER A 117 -14.805 -21.737 6.844 1.00 0.00 O ATOM 1727 CB SER A 117 -12.479 -23.944 7.832 1.00 0.00 C ATOM 1728 OG SER A 117 -13.051 -24.617 8.939 1.00 0.00 O ATOM 0 H SER A 117 -11.458 -22.443 9.536 1.00 0.00 H new ATOM 0 HA SER A 117 -12.307 -21.958 7.030 1.00 0.00 H new ATOM 0 HB2 SER A 117 -12.881 -24.355 6.906 1.00 0.00 H new ATOM 0 HB3 SER A 117 -11.402 -24.114 7.816 1.00 0.00 H new ATOM 0 HG SER A 117 -12.857 -25.576 8.875 1.00 0.00 H new ATOM 1734 N GLY A 118 -14.942 -22.501 8.956 1.00 0.00 N ATOM 1735 CA GLY A 118 -16.378 -22.306 9.025 1.00 0.00 C ATOM 1736 C GLY A 118 -16.753 -20.955 9.602 1.00 0.00 C ATOM 1737 O GLY A 118 -17.160 -20.052 8.872 1.00 0.00 O ATOM 0 H GLY A 118 -14.520 -22.881 9.803 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -16.803 -22.401 8.026 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -16.820 -23.094 9.636 1.00 0.00 H new TER 1741 GLY A 118