USER MOD reduce.3.24.130724 H: found=0, std=0, add=968, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 968 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 97 TYR OH : rot 55:sc= 0.291 USER MOD Set 1.2: A 115 HIS : no HE2:sc= -0.0418 K(o=0.25,f=-3.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= -0.107 USER MOD Single : A 14 THR OG1 : rot 111:sc= -1.06 USER MOD Single : A 15 SER OG : rot -91:sc= 0.0583 USER MOD Single : A 16 SER OG : rot 96:sc= -0.0605 USER MOD Single : A 18 SER OG : rot 180:sc= 0.0897 USER MOD Single : A 26 TYR OH : rot 165:sc= -0.792 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.0016) USER MOD Single : A 30 THR OG1 : rot 16:sc= 0.555 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.057) USER MOD Single : A 42 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0252) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN :FLIP amide:sc= -5.65! C(o=-7.1!,f=-5.7!) USER MOD Single : A 71 SER OG : rot 51:sc= 0.095 USER MOD Single : A 74 SER OG : rot 130:sc= 0.128 USER MOD Single : A 80 THR OG1 : rot -85:sc= 1.55 USER MOD Single : A 82 HIS : no HD1:sc=-0.00445 X(o=-0.0045,f=-0.014) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.183) USER MOD Single : A 105 SER OG : rot -84:sc= 1.46 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ -163:sc= -0.176 (180deg=-0.605) USER MOD Single : A 120 TYR OH : rot -8:sc= 0.133 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.482 1.482 17.956 1.00 0.00 N ATOM 2 CA MET A 1 -2.957 0.439 17.009 1.00 0.00 C ATOM 3 C MET A 1 -2.461 0.713 15.593 1.00 0.00 C ATOM 4 O MET A 1 -2.636 1.812 15.065 1.00 0.00 O ATOM 5 CB MET A 1 -4.486 0.414 17.039 1.00 0.00 C ATOM 6 CG MET A 1 -5.074 -0.984 16.928 1.00 0.00 C ATOM 7 SD MET A 1 -6.338 -1.312 18.171 1.00 0.00 S ATOM 8 CE MET A 1 -6.957 -2.898 17.615 1.00 0.00 C ATOM 0 H1 MET A 1 -2.834 1.270 18.911 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.442 1.495 17.966 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.837 2.412 17.655 1.00 0.00 H new ATOM 0 HA MET A 1 -2.560 -0.529 17.313 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.830 0.871 17.966 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.867 1.026 16.221 1.00 0.00 H new ATOM 0 HG2 MET A 1 -5.505 -1.114 15.935 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.275 -1.718 17.027 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.748 -3.235 18.285 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.355 -2.800 16.605 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.146 -3.626 17.616 1.00 0.00 H new ATOM 20 N LYS A 2 -1.842 -0.293 14.983 1.00 0.00 N ATOM 21 CA LYS A 2 -1.320 -0.159 13.628 1.00 0.00 C ATOM 22 C LYS A 2 -2.336 -0.652 12.603 1.00 0.00 C ATOM 23 O LYS A 2 -3.193 -1.479 12.912 1.00 0.00 O ATOM 24 CB LYS A 2 -0.012 -0.938 13.482 1.00 0.00 C ATOM 25 CG LYS A 2 1.051 -0.539 14.494 1.00 0.00 C ATOM 26 CD LYS A 2 1.334 0.954 14.445 1.00 0.00 C ATOM 27 CE LYS A 2 2.808 1.250 14.666 1.00 0.00 C ATOM 28 NZ LYS A 2 3.084 1.679 16.065 1.00 0.00 N ATOM 0 H LYS A 2 -1.690 -1.209 15.405 1.00 0.00 H new ATOM 0 HA LYS A 2 -1.127 0.898 13.443 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -0.220 -2.003 13.587 1.00 0.00 H new ATOM 0 HB3 LYS A 2 0.381 -0.787 12.476 1.00 0.00 H new ATOM 0 HG2 LYS A 2 0.723 -0.816 15.496 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.970 -1.091 14.295 1.00 0.00 H new ATOM 0 HD2 LYS A 2 1.023 1.353 13.479 1.00 0.00 H new ATOM 0 HD3 LYS A 2 0.742 1.463 15.206 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.395 0.361 14.436 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.129 2.031 13.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 4.100 1.871 16.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 2.543 2.542 16.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 2.802 0.924 16.722 1.00 0.00 H new ATOM 42 N ARG A 3 -2.235 -0.136 11.381 1.00 0.00 N ATOM 43 CA ARG A 3 -3.146 -0.521 10.308 1.00 0.00 C ATOM 44 C ARG A 3 -2.591 -0.098 8.951 1.00 0.00 C ATOM 45 O ARG A 3 -2.277 1.073 8.737 1.00 0.00 O ATOM 46 CB ARG A 3 -4.533 0.099 10.522 1.00 0.00 C ATOM 47 CG ARG A 3 -4.522 1.393 11.321 1.00 0.00 C ATOM 48 CD ARG A 3 -4.115 2.577 10.459 1.00 0.00 C ATOM 49 NE ARG A 3 -4.494 3.851 11.065 1.00 0.00 N ATOM 50 CZ ARG A 3 -5.754 4.246 11.230 1.00 0.00 C ATOM 51 NH1 ARG A 3 -6.759 3.476 10.831 1.00 0.00 N ATOM 52 NH2 ARG A 3 -6.012 5.418 11.796 1.00 0.00 N ATOM 0 H ARG A 3 -1.531 0.550 11.109 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.242 -1.607 10.325 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.987 0.290 9.550 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.167 -0.625 11.034 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.512 1.571 11.741 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.832 1.298 12.160 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.037 2.557 10.301 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.582 2.489 9.478 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.750 4.474 11.380 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -6.568 2.574 10.394 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.722 3.786 10.961 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.245 6.015 12.104 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.977 5.722 11.923 1.00 0.00 H new ATOM 66 N VAL A 4 -2.477 -1.056 8.035 1.00 0.00 N ATOM 67 CA VAL A 4 -1.963 -0.776 6.699 1.00 0.00 C ATOM 68 C VAL A 4 -3.043 -0.994 5.645 1.00 0.00 C ATOM 69 O VAL A 4 -3.864 -1.902 5.763 1.00 0.00 O ATOM 70 CB VAL A 4 -0.745 -1.662 6.366 1.00 0.00 C ATOM 71 CG1 VAL A 4 -0.114 -1.232 5.050 1.00 0.00 C ATOM 72 CG2 VAL A 4 0.276 -1.614 7.495 1.00 0.00 C ATOM 0 H VAL A 4 -2.733 -2.031 8.194 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.652 0.269 6.689 1.00 0.00 H new ATOM 0 HB VAL A 4 -1.087 -2.691 6.259 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.743 -1.869 4.832 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.847 -1.323 4.248 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.214 -0.195 5.125 1.00 0.00 H new ATOM 0 HG21 VAL A 4 1.128 -2.245 7.242 1.00 0.00 H new ATOM 0 HG22 VAL A 4 0.614 -0.587 7.636 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -0.182 -1.975 8.416 1.00 0.00 H new ATOM 82 N LEU A 5 -3.041 -0.155 4.616 1.00 0.00 N ATOM 83 CA LEU A 5 -4.024 -0.259 3.546 1.00 0.00 C ATOM 84 C LEU A 5 -3.482 -1.095 2.392 1.00 0.00 C ATOM 85 O LEU A 5 -2.373 -0.861 1.911 1.00 0.00 O ATOM 86 CB LEU A 5 -4.416 1.133 3.046 1.00 0.00 C ATOM 87 CG LEU A 5 -5.455 1.150 1.925 1.00 0.00 C ATOM 88 CD1 LEU A 5 -6.780 0.585 2.414 1.00 0.00 C ATOM 89 CD2 LEU A 5 -5.640 2.563 1.394 1.00 0.00 C ATOM 0 H LEU A 5 -2.370 0.604 4.500 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.909 -0.754 3.945 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -4.802 1.709 3.887 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -3.518 1.643 2.696 1.00 0.00 H new ATOM 0 HG LEU A 5 -5.094 0.520 1.112 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -7.506 0.606 1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -6.637 -0.443 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.148 1.187 3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -6.383 2.558 0.596 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -5.978 3.213 2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -4.692 2.932 1.004 1.00 0.00 H new ATOM 101 N VAL A 6 -4.266 -2.073 1.958 1.00 0.00 N ATOM 102 CA VAL A 6 -3.859 -2.950 0.864 1.00 0.00 C ATOM 103 C VAL A 6 -4.765 -2.785 -0.350 1.00 0.00 C ATOM 104 O VAL A 6 -5.894 -3.270 -0.365 1.00 0.00 O ATOM 105 CB VAL A 6 -3.874 -4.427 1.295 1.00 0.00 C ATOM 106 CG1 VAL A 6 -3.228 -5.300 0.230 1.00 0.00 C ATOM 107 CG2 VAL A 6 -3.173 -4.601 2.633 1.00 0.00 C ATOM 0 H VAL A 6 -5.187 -2.280 2.345 1.00 0.00 H new ATOM 0 HA VAL A 6 -2.843 -2.661 0.596 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.911 -4.742 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -3.248 -6.341 0.552 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -3.778 -5.199 -0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.195 -4.986 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.194 -5.652 2.921 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.138 -4.269 2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.683 -4.007 3.391 1.00 0.00 H new ATOM 117 N VAL A 7 -4.262 -2.104 -1.371 1.00 0.00 N ATOM 118 CA VAL A 7 -5.036 -1.889 -2.585 1.00 0.00 C ATOM 119 C VAL A 7 -4.776 -2.991 -3.604 1.00 0.00 C ATOM 120 O VAL A 7 -3.632 -3.240 -3.988 1.00 0.00 O ATOM 121 CB VAL A 7 -4.718 -0.519 -3.220 1.00 0.00 C ATOM 122 CG1 VAL A 7 -5.607 -0.260 -4.427 1.00 0.00 C ATOM 123 CG2 VAL A 7 -4.866 0.592 -2.191 1.00 0.00 C ATOM 0 H VAL A 7 -3.328 -1.694 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.088 -1.908 -2.300 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.683 -0.534 -3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.363 0.712 -4.857 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.443 -1.038 -5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -6.652 -0.268 -4.118 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.638 1.551 -2.656 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -5.889 0.605 -1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.177 0.417 -1.365 1.00 0.00 H new ATOM 133 N ASP A 8 -5.847 -3.647 -4.037 1.00 0.00 N ATOM 134 CA ASP A 8 -5.741 -4.726 -5.009 1.00 0.00 C ATOM 135 C ASP A 8 -7.122 -5.113 -5.530 1.00 0.00 C ATOM 136 O ASP A 8 -8.136 -4.857 -4.881 1.00 0.00 O ATOM 137 CB ASP A 8 -5.048 -5.938 -4.379 1.00 0.00 C ATOM 138 CG ASP A 8 -5.005 -7.136 -5.309 1.00 0.00 C ATOM 139 OD1 ASP A 8 -4.753 -6.942 -6.516 1.00 0.00 O ATOM 140 OD2 ASP A 8 -5.224 -8.268 -4.829 1.00 0.00 O ATOM 0 H ASP A 8 -6.799 -3.449 -3.729 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.141 -4.379 -5.851 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.031 -5.665 -4.098 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -5.569 -6.213 -3.462 1.00 0.00 H new ATOM 145 N ASP A 9 -7.155 -5.727 -6.708 1.00 0.00 N ATOM 146 CA ASP A 9 -8.412 -6.144 -7.318 1.00 0.00 C ATOM 147 C ASP A 9 -8.792 -7.558 -6.886 1.00 0.00 C ATOM 148 O ASP A 9 -9.117 -8.407 -7.716 1.00 0.00 O ATOM 149 CB ASP A 9 -8.310 -6.068 -8.843 1.00 0.00 C ATOM 150 CG ASP A 9 -9.663 -6.173 -9.519 1.00 0.00 C ATOM 151 OD1 ASP A 9 -10.159 -7.308 -9.683 1.00 0.00 O ATOM 152 OD2 ASP A 9 -10.227 -5.120 -9.886 1.00 0.00 O ATOM 0 H ASP A 9 -6.325 -5.947 -7.259 1.00 0.00 H new ATOM 0 HA ASP A 9 -9.194 -5.465 -6.978 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.837 -5.128 -9.126 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -7.665 -6.870 -9.202 1.00 0.00 H new ATOM 157 N GLU A 10 -8.751 -7.802 -5.581 1.00 0.00 N ATOM 158 CA GLU A 10 -9.094 -9.109 -5.036 1.00 0.00 C ATOM 159 C GLU A 10 -10.429 -9.053 -4.298 1.00 0.00 C ATOM 160 O GLU A 10 -11.133 -8.045 -4.345 1.00 0.00 O ATOM 161 CB GLU A 10 -7.992 -9.597 -4.091 1.00 0.00 C ATOM 162 CG GLU A 10 -7.230 -10.802 -4.619 1.00 0.00 C ATOM 163 CD GLU A 10 -6.088 -11.213 -3.710 1.00 0.00 C ATOM 164 OE1 GLU A 10 -5.071 -10.489 -3.669 1.00 0.00 O ATOM 165 OE2 GLU A 10 -6.211 -12.260 -3.039 1.00 0.00 O ATOM 0 H GLU A 10 -8.483 -7.111 -4.881 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.186 -9.811 -5.865 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.290 -8.782 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -8.436 -9.851 -3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -7.917 -11.640 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -6.837 -10.573 -5.610 1.00 0.00 H new ATOM 172 N GLU A 11 -10.770 -10.142 -3.617 1.00 0.00 N ATOM 173 CA GLU A 11 -12.020 -10.214 -2.869 1.00 0.00 C ATOM 174 C GLU A 11 -11.980 -9.293 -1.655 1.00 0.00 C ATOM 175 O GLU A 11 -12.712 -8.305 -1.588 1.00 0.00 O ATOM 176 CB GLU A 11 -12.292 -11.653 -2.424 1.00 0.00 C ATOM 177 CG GLU A 11 -13.770 -12.005 -2.372 1.00 0.00 C ATOM 178 CD GLU A 11 -14.477 -11.747 -3.688 1.00 0.00 C ATOM 179 OE1 GLU A 11 -14.255 -12.521 -4.642 1.00 0.00 O ATOM 180 OE2 GLU A 11 -15.252 -10.771 -3.764 1.00 0.00 O ATOM 0 H GLU A 11 -10.199 -10.986 -3.568 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.826 -9.886 -3.525 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -11.788 -12.337 -3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.855 -11.808 -1.437 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.880 -13.056 -2.104 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.251 -11.424 -1.585 1.00 0.00 H new ATOM 187 N SER A 12 -11.119 -9.622 -0.697 1.00 0.00 N ATOM 188 CA SER A 12 -10.982 -8.823 0.515 1.00 0.00 C ATOM 189 C SER A 12 -9.512 -8.536 0.811 1.00 0.00 C ATOM 190 O SER A 12 -9.011 -7.449 0.522 1.00 0.00 O ATOM 191 CB SER A 12 -11.627 -9.541 1.702 1.00 0.00 C ATOM 192 OG SER A 12 -11.205 -8.977 2.931 1.00 0.00 O ATOM 0 H SER A 12 -10.506 -10.436 -0.737 1.00 0.00 H new ATOM 0 HA SER A 12 -11.494 -7.874 0.356 1.00 0.00 H new ATOM 0 HB2 SER A 12 -12.712 -9.478 1.623 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.367 -10.599 1.676 1.00 0.00 H new ATOM 0 HG SER A 12 -11.633 -9.453 3.673 1.00 0.00 H new ATOM 198 N ILE A 13 -8.825 -9.519 1.385 1.00 0.00 N ATOM 199 CA ILE A 13 -7.412 -9.370 1.715 1.00 0.00 C ATOM 200 C ILE A 13 -6.530 -9.988 0.639 1.00 0.00 C ATOM 201 O ILE A 13 -6.991 -10.791 -0.172 1.00 0.00 O ATOM 202 CB ILE A 13 -7.067 -10.030 3.065 1.00 0.00 C ATOM 203 CG1 ILE A 13 -8.155 -9.738 4.103 1.00 0.00 C ATOM 204 CG2 ILE A 13 -5.709 -9.553 3.559 1.00 0.00 C ATOM 205 CD1 ILE A 13 -8.223 -8.286 4.521 1.00 0.00 C ATOM 0 H ILE A 13 -9.223 -10.425 1.631 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.223 -8.299 1.781 1.00 0.00 H new ATOM 0 HB ILE A 13 -7.019 -11.109 2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.122 -10.035 3.697 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.977 -10.353 4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.481 -10.029 4.513 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.943 -9.817 2.830 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.729 -8.471 3.689 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -9.016 -8.156 5.257 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.270 -7.988 4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.432 -7.666 3.649 1.00 0.00 H new ATOM 217 N THR A 14 -5.258 -9.614 0.649 1.00 0.00 N ATOM 218 CA THR A 14 -4.303 -10.137 -0.316 1.00 0.00 C ATOM 219 C THR A 14 -3.642 -11.401 0.228 1.00 0.00 C ATOM 220 O THR A 14 -3.372 -11.504 1.425 1.00 0.00 O ATOM 221 CB THR A 14 -3.248 -9.078 -0.646 1.00 0.00 C ATOM 222 OG1 THR A 14 -2.511 -8.724 0.510 1.00 0.00 O ATOM 223 CG2 THR A 14 -3.840 -7.806 -1.222 1.00 0.00 C ATOM 0 H THR A 14 -4.864 -8.950 1.315 1.00 0.00 H new ATOM 0 HA THR A 14 -4.834 -10.392 -1.233 1.00 0.00 H new ATOM 0 HB THR A 14 -2.604 -9.535 -1.397 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.592 -9.053 0.425 1.00 0.00 H new ATOM 0 HG21 THR A 14 -3.040 -7.096 -1.434 1.00 0.00 H new ATOM 0 HG22 THR A 14 -4.374 -8.038 -2.144 1.00 0.00 H new ATOM 0 HG23 THR A 14 -4.532 -7.368 -0.502 1.00 0.00 H new ATOM 231 N SER A 15 -3.398 -12.365 -0.653 1.00 0.00 N ATOM 232 CA SER A 15 -2.785 -13.630 -0.256 1.00 0.00 C ATOM 233 C SER A 15 -1.484 -13.410 0.514 1.00 0.00 C ATOM 234 O SER A 15 -0.659 -12.580 0.132 1.00 0.00 O ATOM 235 CB SER A 15 -2.517 -14.495 -1.490 1.00 0.00 C ATOM 236 OG SER A 15 -2.291 -13.693 -2.636 1.00 0.00 O ATOM 0 H SER A 15 -3.615 -12.296 -1.647 1.00 0.00 H new ATOM 0 HA SER A 15 -3.484 -14.142 0.405 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.650 -15.131 -1.311 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.366 -15.156 -1.666 1.00 0.00 H new ATOM 0 HG SER A 15 -3.141 -13.535 -3.098 1.00 0.00 H new ATOM 242 N SER A 16 -1.311 -14.174 1.597 1.00 0.00 N ATOM 243 CA SER A 16 -0.111 -14.095 2.439 1.00 0.00 C ATOM 244 C SER A 16 -0.216 -12.986 3.487 1.00 0.00 C ATOM 245 O SER A 16 0.265 -13.139 4.609 1.00 0.00 O ATOM 246 CB SER A 16 1.143 -13.884 1.585 1.00 0.00 C ATOM 247 OG SER A 16 1.029 -14.548 0.339 1.00 0.00 O ATOM 0 H SER A 16 -1.994 -14.862 1.914 1.00 0.00 H new ATOM 0 HA SER A 16 -0.032 -15.047 2.964 1.00 0.00 H new ATOM 0 HB2 SER A 16 1.299 -12.818 1.420 1.00 0.00 H new ATOM 0 HB3 SER A 16 2.017 -14.255 2.120 1.00 0.00 H new ATOM 0 HG SER A 16 0.708 -13.918 -0.339 1.00 0.00 H new ATOM 253 N LEU A 17 -0.835 -11.868 3.121 1.00 0.00 N ATOM 254 CA LEU A 17 -0.983 -10.744 4.039 1.00 0.00 C ATOM 255 C LEU A 17 -1.761 -11.150 5.289 1.00 0.00 C ATOM 256 O LEU A 17 -1.310 -10.928 6.412 1.00 0.00 O ATOM 257 CB LEU A 17 -1.694 -9.579 3.337 1.00 0.00 C ATOM 258 CG LEU A 17 -0.932 -8.242 3.265 1.00 0.00 C ATOM 259 CD1 LEU A 17 -1.885 -7.087 3.506 1.00 0.00 C ATOM 260 CD2 LEU A 17 0.221 -8.186 4.260 1.00 0.00 C ATOM 0 H LEU A 17 -1.241 -11.716 2.198 1.00 0.00 H new ATOM 0 HA LEU A 17 0.014 -10.427 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.932 -9.890 2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -2.642 -9.403 3.846 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.505 -8.161 2.265 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.337 -6.146 3.453 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.666 -7.095 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.338 -7.188 4.492 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.730 -7.226 4.174 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.166 -8.302 5.272 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.925 -8.990 4.046 1.00 0.00 H new ATOM 272 N SER A 18 -2.937 -11.738 5.083 1.00 0.00 N ATOM 273 CA SER A 18 -3.793 -12.169 6.188 1.00 0.00 C ATOM 274 C SER A 18 -2.996 -12.908 7.261 1.00 0.00 C ATOM 275 O SER A 18 -2.848 -12.423 8.383 1.00 0.00 O ATOM 276 CB SER A 18 -4.917 -13.065 5.667 1.00 0.00 C ATOM 277 OG SER A 18 -4.407 -14.087 4.827 1.00 0.00 O ATOM 0 H SER A 18 -3.321 -11.928 4.157 1.00 0.00 H new ATOM 0 HA SER A 18 -4.222 -11.275 6.642 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.449 -13.512 6.507 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.640 -12.464 5.116 1.00 0.00 H new ATOM 0 HG SER A 18 -5.145 -14.647 4.508 1.00 0.00 H new ATOM 283 N ALA A 19 -2.489 -14.087 6.911 1.00 0.00 N ATOM 284 CA ALA A 19 -1.710 -14.898 7.844 1.00 0.00 C ATOM 285 C ALA A 19 -0.619 -14.076 8.523 1.00 0.00 C ATOM 286 O ALA A 19 -0.367 -14.226 9.719 1.00 0.00 O ATOM 287 CB ALA A 19 -1.098 -16.086 7.118 1.00 0.00 C ATOM 0 H ALA A 19 -2.604 -14.503 5.987 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.386 -15.259 8.619 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.519 -16.684 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -1.891 -16.698 6.688 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.444 -15.729 6.322 1.00 0.00 H new ATOM 293 N ILE A 20 0.027 -13.212 7.749 1.00 0.00 N ATOM 294 CA ILE A 20 1.096 -12.368 8.267 1.00 0.00 C ATOM 295 C ILE A 20 0.567 -11.365 9.290 1.00 0.00 C ATOM 296 O ILE A 20 0.897 -11.442 10.471 1.00 0.00 O ATOM 297 CB ILE A 20 1.808 -11.619 7.120 1.00 0.00 C ATOM 298 CG1 ILE A 20 2.664 -12.592 6.314 1.00 0.00 C ATOM 299 CG2 ILE A 20 2.658 -10.474 7.650 1.00 0.00 C ATOM 300 CD1 ILE A 20 3.063 -12.060 4.957 1.00 0.00 C ATOM 0 H ILE A 20 -0.172 -13.078 6.758 1.00 0.00 H new ATOM 0 HA ILE A 20 1.814 -13.021 8.764 1.00 0.00 H new ATOM 0 HB ILE A 20 1.046 -11.191 6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.564 -12.829 6.882 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.115 -13.525 6.183 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.146 -9.967 6.817 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.023 -9.767 8.184 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.415 -10.867 8.329 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.670 -12.803 4.439 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.168 -11.850 4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.639 -11.143 5.081 1.00 0.00 H new ATOM 312 N LEU A 21 -0.248 -10.421 8.828 1.00 0.00 N ATOM 313 CA LEU A 21 -0.818 -9.402 9.707 1.00 0.00 C ATOM 314 C LEU A 21 -1.361 -10.016 10.995 1.00 0.00 C ATOM 315 O LEU A 21 -1.360 -9.380 12.048 1.00 0.00 O ATOM 316 CB LEU A 21 -1.930 -8.657 8.979 1.00 0.00 C ATOM 317 CG LEU A 21 -1.519 -8.084 7.626 1.00 0.00 C ATOM 318 CD1 LEU A 21 -2.535 -8.450 6.558 1.00 0.00 C ATOM 319 CD2 LEU A 21 -1.345 -6.577 7.721 1.00 0.00 C ATOM 0 H LEU A 21 -0.529 -10.340 7.851 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.024 -8.705 9.976 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.771 -9.335 8.833 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.282 -7.844 9.613 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.562 -8.520 7.340 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.223 -8.032 5.601 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.602 -9.535 6.476 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.510 -8.046 6.830 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.052 -6.183 6.748 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.286 -6.121 8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.572 -6.345 8.454 1.00 0.00 H new ATOM 331 N GLU A 22 -1.821 -11.261 10.902 1.00 0.00 N ATOM 332 CA GLU A 22 -2.364 -11.964 12.058 1.00 0.00 C ATOM 333 C GLU A 22 -1.255 -12.341 13.035 1.00 0.00 C ATOM 334 O GLU A 22 -1.473 -12.394 14.245 1.00 0.00 O ATOM 335 CB GLU A 22 -3.116 -13.215 11.615 1.00 0.00 C ATOM 336 CG GLU A 22 -4.542 -12.938 11.165 1.00 0.00 C ATOM 337 CD GLU A 22 -5.518 -13.997 11.638 1.00 0.00 C ATOM 338 OE1 GLU A 22 -5.780 -14.061 12.859 1.00 0.00 O ATOM 339 OE2 GLU A 22 -6.022 -14.763 10.791 1.00 0.00 O ATOM 0 H GLU A 22 -1.828 -11.803 10.038 1.00 0.00 H new ATOM 0 HA GLU A 22 -3.058 -11.294 12.565 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.571 -13.687 10.798 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -3.135 -13.928 12.439 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.856 -11.965 11.543 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.571 -12.882 10.077 1.00 0.00 H new ATOM 346 N GLU A 23 -0.065 -12.597 12.502 1.00 0.00 N ATOM 347 CA GLU A 23 1.079 -12.962 13.323 1.00 0.00 C ATOM 348 C GLU A 23 1.780 -11.712 13.850 1.00 0.00 C ATOM 349 O GLU A 23 2.276 -11.695 14.977 1.00 0.00 O ATOM 350 CB GLU A 23 2.052 -13.819 12.507 1.00 0.00 C ATOM 351 CG GLU A 23 3.433 -13.948 13.130 1.00 0.00 C ATOM 352 CD GLU A 23 3.948 -15.374 13.124 1.00 0.00 C ATOM 353 OE1 GLU A 23 3.578 -16.135 12.207 1.00 0.00 O ATOM 354 OE2 GLU A 23 4.721 -15.730 14.040 1.00 0.00 O ATOM 0 H GLU A 23 0.131 -12.558 11.502 1.00 0.00 H new ATOM 0 HA GLU A 23 0.729 -13.542 14.177 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.626 -14.815 12.382 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.153 -13.388 11.511 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.132 -13.311 12.588 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.399 -13.583 14.156 1.00 0.00 H new ATOM 361 N GLU A 24 1.816 -10.669 13.027 1.00 0.00 N ATOM 362 CA GLU A 24 2.453 -9.415 13.408 1.00 0.00 C ATOM 363 C GLU A 24 1.550 -8.607 14.334 1.00 0.00 C ATOM 364 O GLU A 24 2.018 -7.983 15.287 1.00 0.00 O ATOM 365 CB GLU A 24 2.797 -8.594 12.167 1.00 0.00 C ATOM 366 CG GLU A 24 3.789 -9.280 11.241 1.00 0.00 C ATOM 367 CD GLU A 24 5.182 -9.360 11.836 1.00 0.00 C ATOM 368 OE1 GLU A 24 5.526 -8.489 12.662 1.00 0.00 O ATOM 369 OE2 GLU A 24 5.927 -10.295 11.476 1.00 0.00 O ATOM 0 H GLU A 24 1.411 -10.668 12.091 1.00 0.00 H new ATOM 0 HA GLU A 24 3.373 -9.652 13.942 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.881 -8.385 11.614 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.208 -7.634 12.479 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.435 -10.286 11.017 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.832 -8.739 10.296 1.00 0.00 H new ATOM 376 N GLY A 25 0.251 -8.623 14.048 1.00 0.00 N ATOM 377 CA GLY A 25 -0.696 -7.892 14.861 1.00 0.00 C ATOM 378 C GLY A 25 -1.122 -6.584 14.226 1.00 0.00 C ATOM 379 O GLY A 25 -1.438 -5.620 14.924 1.00 0.00 O ATOM 0 H GLY A 25 -0.160 -9.131 13.265 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.576 -8.512 15.033 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.253 -7.691 15.836 1.00 0.00 H new ATOM 383 N TYR A 26 -1.132 -6.550 12.897 1.00 0.00 N ATOM 384 CA TYR A 26 -1.523 -5.350 12.167 1.00 0.00 C ATOM 385 C TYR A 26 -3.024 -5.339 11.902 1.00 0.00 C ATOM 386 O TYR A 26 -3.753 -6.221 12.355 1.00 0.00 O ATOM 387 CB TYR A 26 -0.766 -5.262 10.841 1.00 0.00 C ATOM 388 CG TYR A 26 0.673 -4.822 10.987 1.00 0.00 C ATOM 389 CD1 TYR A 26 0.987 -3.564 11.486 1.00 0.00 C ATOM 390 CD2 TYR A 26 1.717 -5.663 10.623 1.00 0.00 C ATOM 391 CE1 TYR A 26 2.300 -3.157 11.618 1.00 0.00 C ATOM 392 CE2 TYR A 26 3.033 -5.262 10.752 1.00 0.00 C ATOM 393 CZ TYR A 26 3.319 -4.009 11.250 1.00 0.00 C ATOM 394 OH TYR A 26 4.629 -3.607 11.380 1.00 0.00 O ATOM 0 H TYR A 26 -0.874 -7.339 12.305 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.271 -4.486 12.782 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.790 -6.237 10.354 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.284 -4.564 10.183 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.191 -2.893 11.775 1.00 0.00 H new ATOM 0 HD2 TYR A 26 1.497 -6.646 10.233 1.00 0.00 H new ATOM 0 HE1 TYR A 26 2.527 -2.176 12.008 1.00 0.00 H new ATOM 0 HE2 TYR A 26 3.834 -5.927 10.464 1.00 0.00 H new ATOM 0 HH TYR A 26 5.219 -4.387 11.310 1.00 0.00 H new ATOM 404 N HIS A 27 -3.475 -4.333 11.162 1.00 0.00 N ATOM 405 CA HIS A 27 -4.885 -4.198 10.826 1.00 0.00 C ATOM 406 C HIS A 27 -5.045 -3.732 9.380 1.00 0.00 C ATOM 407 O HIS A 27 -4.994 -2.534 9.099 1.00 0.00 O ATOM 408 CB HIS A 27 -5.561 -3.209 11.775 1.00 0.00 C ATOM 409 CG HIS A 27 -6.769 -3.767 12.460 1.00 0.00 C ATOM 410 ND1 HIS A 27 -8.059 -3.414 12.120 1.00 0.00 N ATOM 411 CD2 HIS A 27 -6.880 -4.662 13.470 1.00 0.00 C ATOM 412 CE1 HIS A 27 -8.909 -4.067 12.892 1.00 0.00 C ATOM 413 NE2 HIS A 27 -8.220 -4.831 13.719 1.00 0.00 N ATOM 0 H HIS A 27 -2.881 -3.596 10.782 1.00 0.00 H new ATOM 0 HA HIS A 27 -5.363 -5.172 10.933 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -4.841 -2.891 12.529 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -5.850 -2.320 11.215 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -6.066 -5.152 13.984 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.985 -3.989 12.853 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -8.618 -5.447 14.428 1.00 0.00 H new ATOM 422 N PRO A 28 -5.232 -4.673 8.440 1.00 0.00 N ATOM 423 CA PRO A 28 -5.387 -4.348 7.023 1.00 0.00 C ATOM 424 C PRO A 28 -6.777 -3.821 6.686 1.00 0.00 C ATOM 425 O PRO A 28 -7.787 -4.384 7.112 1.00 0.00 O ATOM 426 CB PRO A 28 -5.137 -5.686 6.334 1.00 0.00 C ATOM 427 CG PRO A 28 -5.585 -6.706 7.324 1.00 0.00 C ATOM 428 CD PRO A 28 -5.297 -6.127 8.685 1.00 0.00 C ATOM 0 HA PRO A 28 -4.710 -3.553 6.710 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.698 -5.764 5.403 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.084 -5.812 6.083 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.648 -6.920 7.209 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.054 -7.647 7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.080 -6.378 9.401 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.360 -6.507 9.092 1.00 0.00 H new ATOM 436 N ASP A 29 -6.822 -2.740 5.913 1.00 0.00 N ATOM 437 CA ASP A 29 -8.095 -2.145 5.516 1.00 0.00 C ATOM 438 C ASP A 29 -8.444 -2.480 4.081 1.00 0.00 C ATOM 439 O ASP A 29 -9.572 -2.278 3.631 1.00 0.00 O ATOM 440 CB ASP A 29 -8.084 -0.634 5.727 1.00 0.00 C ATOM 441 CG ASP A 29 -9.457 -0.089 6.067 1.00 0.00 C ATOM 442 OD1 ASP A 29 -10.411 -0.370 5.311 1.00 0.00 O ATOM 443 OD2 ASP A 29 -9.579 0.618 7.089 1.00 0.00 O ATOM 0 H ASP A 29 -5.998 -2.260 5.551 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.866 -2.575 6.155 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.389 -0.387 6.529 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -7.716 -0.146 4.824 1.00 0.00 H new ATOM 448 N THR A 30 -7.465 -3.010 3.390 1.00 0.00 N ATOM 449 CA THR A 30 -7.597 -3.418 1.993 1.00 0.00 C ATOM 450 C THR A 30 -8.335 -2.386 1.141 1.00 0.00 C ATOM 451 O THR A 30 -8.829 -1.375 1.636 1.00 0.00 O ATOM 452 CB THR A 30 -8.310 -4.765 1.900 1.00 0.00 C ATOM 453 OG1 THR A 30 -9.587 -4.702 2.513 1.00 0.00 O ATOM 454 CG2 THR A 30 -7.541 -5.892 2.551 1.00 0.00 C ATOM 0 H THR A 30 -6.537 -3.177 3.778 1.00 0.00 H new ATOM 0 HA THR A 30 -6.586 -3.503 1.596 1.00 0.00 H new ATOM 0 HB THR A 30 -8.397 -4.974 0.834 1.00 0.00 H new ATOM 0 HG1 THR A 30 -9.845 -3.765 2.636 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.102 -6.821 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.571 -5.999 2.065 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.395 -5.670 3.608 1.00 0.00 H new ATOM 462 N ALA A 31 -8.396 -2.664 -0.156 1.00 0.00 N ATOM 463 CA ALA A 31 -9.064 -1.791 -1.109 1.00 0.00 C ATOM 464 C ALA A 31 -9.437 -2.565 -2.370 1.00 0.00 C ATOM 465 O ALA A 31 -9.407 -3.795 -2.383 1.00 0.00 O ATOM 466 CB ALA A 31 -8.171 -0.609 -1.453 1.00 0.00 C ATOM 0 H ALA A 31 -7.985 -3.499 -0.574 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.980 -1.414 -0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.682 0.037 -2.167 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.949 -0.045 -0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.241 -0.971 -1.892 1.00 0.00 H new ATOM 472 N LYS A 32 -9.788 -1.842 -3.428 1.00 0.00 N ATOM 473 CA LYS A 32 -10.163 -2.472 -4.690 1.00 0.00 C ATOM 474 C LYS A 32 -9.392 -1.860 -5.856 1.00 0.00 C ATOM 475 O LYS A 32 -8.998 -2.560 -6.788 1.00 0.00 O ATOM 476 CB LYS A 32 -11.669 -2.332 -4.934 1.00 0.00 C ATOM 477 CG LYS A 32 -12.506 -2.408 -3.667 1.00 0.00 C ATOM 478 CD LYS A 32 -13.962 -2.074 -3.940 1.00 0.00 C ATOM 479 CE LYS A 32 -14.616 -3.117 -4.831 1.00 0.00 C ATOM 480 NZ LYS A 32 -15.970 -2.693 -5.285 1.00 0.00 N ATOM 0 H LYS A 32 -9.821 -0.823 -3.438 1.00 0.00 H new ATOM 0 HA LYS A 32 -9.910 -3.530 -4.623 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.860 -1.379 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.991 -3.117 -5.619 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.435 -3.409 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.107 -1.718 -2.924 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -14.504 -2.008 -2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -14.029 -1.095 -4.415 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -13.983 -3.300 -5.699 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -14.694 -4.059 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.381 -3.433 -5.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -16.582 -2.543 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.894 -1.807 -5.825 1.00 0.00 H new ATOM 494 N THR A 33 -9.179 -0.552 -5.791 1.00 0.00 N ATOM 495 CA THR A 33 -8.454 0.161 -6.833 1.00 0.00 C ATOM 496 C THR A 33 -7.998 1.522 -6.323 1.00 0.00 C ATOM 497 O THR A 33 -8.286 1.893 -5.185 1.00 0.00 O ATOM 498 CB THR A 33 -9.332 0.332 -8.073 1.00 0.00 C ATOM 499 OG1 THR A 33 -10.660 0.665 -7.705 1.00 0.00 O ATOM 500 CG2 THR A 33 -9.392 -0.905 -8.941 1.00 0.00 C ATOM 0 H THR A 33 -9.500 0.038 -5.024 1.00 0.00 H new ATOM 0 HA THR A 33 -7.576 -0.425 -7.105 1.00 0.00 H new ATOM 0 HB THR A 33 -8.868 1.134 -8.646 1.00 0.00 H new ATOM 0 HG1 THR A 33 -11.206 0.772 -8.512 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.032 -0.714 -9.803 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.389 -1.159 -9.283 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.799 -1.735 -8.364 1.00 0.00 H new ATOM 508 N LEU A 34 -7.291 2.264 -7.165 1.00 0.00 N ATOM 509 CA LEU A 34 -6.807 3.582 -6.783 1.00 0.00 C ATOM 510 C LEU A 34 -7.974 4.514 -6.485 1.00 0.00 C ATOM 511 O LEU A 34 -7.944 5.271 -5.515 1.00 0.00 O ATOM 512 CB LEU A 34 -5.921 4.165 -7.883 1.00 0.00 C ATOM 513 CG LEU A 34 -4.593 3.436 -8.090 1.00 0.00 C ATOM 514 CD1 LEU A 34 -3.806 4.067 -9.227 1.00 0.00 C ATOM 515 CD2 LEU A 34 -3.777 3.438 -6.802 1.00 0.00 C ATOM 0 H LEU A 34 -7.041 1.977 -8.111 1.00 0.00 H new ATOM 0 HA LEU A 34 -6.209 3.481 -5.877 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.476 4.154 -8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.714 5.209 -7.648 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.807 2.401 -8.359 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -2.865 3.534 -9.358 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.387 4.009 -10.148 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.601 5.112 -8.992 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.835 2.915 -6.967 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.574 4.466 -6.502 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.338 2.934 -6.015 1.00 0.00 H new ATOM 527 N ARG A 35 -9.014 4.440 -7.311 1.00 0.00 N ATOM 528 CA ARG A 35 -10.196 5.265 -7.114 1.00 0.00 C ATOM 529 C ARG A 35 -10.841 4.931 -5.773 1.00 0.00 C ATOM 530 O ARG A 35 -11.057 5.808 -4.933 1.00 0.00 O ATOM 531 CB ARG A 35 -11.197 5.047 -8.251 1.00 0.00 C ATOM 532 CG ARG A 35 -11.630 6.333 -8.935 1.00 0.00 C ATOM 533 CD ARG A 35 -13.127 6.350 -9.202 1.00 0.00 C ATOM 534 NE ARG A 35 -13.721 7.654 -8.910 1.00 0.00 N ATOM 535 CZ ARG A 35 -15.026 7.854 -8.749 1.00 0.00 C ATOM 536 NH1 ARG A 35 -15.878 6.841 -8.852 1.00 0.00 N ATOM 537 NH2 ARG A 35 -15.482 9.071 -8.484 1.00 0.00 N ATOM 0 H ARG A 35 -9.060 3.819 -8.119 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.897 6.313 -7.115 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -10.753 4.383 -8.992 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.078 4.541 -7.856 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.362 7.186 -8.311 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -11.091 6.444 -9.876 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -13.312 6.093 -10.245 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -13.612 5.586 -8.594 1.00 0.00 H new ATOM 0 HE ARG A 35 -13.098 8.457 -8.825 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -15.533 5.903 -9.056 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -16.878 7.001 -8.727 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -14.832 9.853 -8.404 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -16.483 9.225 -8.360 1.00 0.00 H new ATOM 551 N GLU A 36 -11.128 3.648 -5.573 1.00 0.00 N ATOM 552 CA GLU A 36 -11.726 3.186 -4.331 1.00 0.00 C ATOM 553 C GLU A 36 -10.773 3.426 -3.167 1.00 0.00 C ATOM 554 O GLU A 36 -11.201 3.642 -2.032 1.00 0.00 O ATOM 555 CB GLU A 36 -12.071 1.697 -4.424 1.00 0.00 C ATOM 556 CG GLU A 36 -13.329 1.315 -3.662 1.00 0.00 C ATOM 557 CD GLU A 36 -14.573 1.368 -4.527 1.00 0.00 C ATOM 558 OE1 GLU A 36 -14.571 0.741 -5.608 1.00 0.00 O ATOM 559 OE2 GLU A 36 -15.549 2.034 -4.124 1.00 0.00 O ATOM 0 H GLU A 36 -10.955 2.912 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 36 -12.644 3.748 -4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -12.195 1.426 -5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.233 1.114 -4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -13.214 0.309 -3.259 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.453 1.987 -2.812 1.00 0.00 H new ATOM 566 N ALA A 37 -9.473 3.396 -3.457 1.00 0.00 N ATOM 567 CA ALA A 37 -8.460 3.620 -2.437 1.00 0.00 C ATOM 568 C ALA A 37 -8.368 5.097 -2.076 1.00 0.00 C ATOM 569 O ALA A 37 -7.916 5.450 -0.989 1.00 0.00 O ATOM 570 CB ALA A 37 -7.110 3.101 -2.910 1.00 0.00 C ATOM 0 H ALA A 37 -9.101 3.219 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 37 -8.751 3.071 -1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -6.362 3.275 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.181 2.032 -3.111 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -6.818 3.623 -3.821 1.00 0.00 H new ATOM 576 N GLU A 38 -8.821 5.958 -2.981 1.00 0.00 N ATOM 577 CA GLU A 38 -8.805 7.392 -2.734 1.00 0.00 C ATOM 578 C GLU A 38 -9.919 7.759 -1.768 1.00 0.00 C ATOM 579 O GLU A 38 -9.727 8.560 -0.854 1.00 0.00 O ATOM 580 CB GLU A 38 -8.959 8.166 -4.041 1.00 0.00 C ATOM 581 CG GLU A 38 -7.711 8.152 -4.908 1.00 0.00 C ATOM 582 CD GLU A 38 -8.025 8.288 -6.385 1.00 0.00 C ATOM 583 OE1 GLU A 38 -8.649 9.299 -6.769 1.00 0.00 O ATOM 584 OE2 GLU A 38 -7.646 7.383 -7.157 1.00 0.00 O ATOM 0 H GLU A 38 -9.202 5.688 -3.888 1.00 0.00 H new ATOM 0 HA GLU A 38 -7.846 7.661 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -9.789 7.744 -4.607 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -9.221 9.199 -3.813 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.053 8.966 -4.604 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.167 7.222 -4.740 1.00 0.00 H new ATOM 591 N LYS A 39 -11.082 7.149 -1.969 1.00 0.00 N ATOM 592 CA LYS A 39 -12.226 7.393 -1.103 1.00 0.00 C ATOM 593 C LYS A 39 -11.942 6.866 0.300 1.00 0.00 C ATOM 594 O LYS A 39 -12.334 7.475 1.296 1.00 0.00 O ATOM 595 CB LYS A 39 -13.481 6.726 -1.674 1.00 0.00 C ATOM 596 CG LYS A 39 -14.702 6.849 -0.776 1.00 0.00 C ATOM 597 CD LYS A 39 -14.731 5.752 0.275 1.00 0.00 C ATOM 598 CE LYS A 39 -16.153 5.436 0.711 1.00 0.00 C ATOM 599 NZ LYS A 39 -16.345 3.982 0.966 1.00 0.00 N ATOM 0 H LYS A 39 -11.256 6.484 -2.723 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.399 8.468 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.708 7.169 -2.643 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -13.273 5.670 -1.847 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.699 7.823 -0.287 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -15.607 6.799 -1.381 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.263 4.852 -0.124 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.144 6.060 1.140 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -16.389 5.997 1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.851 5.765 -0.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -17.327 3.808 1.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.145 3.448 0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -15.698 3.673 1.719 1.00 0.00 H new ATOM 613 N LYS A 40 -11.252 5.731 0.368 1.00 0.00 N ATOM 614 CA LYS A 40 -10.907 5.120 1.646 1.00 0.00 C ATOM 615 C LYS A 40 -9.816 5.918 2.353 1.00 0.00 C ATOM 616 O LYS A 40 -9.755 5.951 3.582 1.00 0.00 O ATOM 617 CB LYS A 40 -10.448 3.677 1.439 1.00 0.00 C ATOM 618 CG LYS A 40 -11.530 2.769 0.877 1.00 0.00 C ATOM 619 CD LYS A 40 -12.590 2.454 1.921 1.00 0.00 C ATOM 620 CE LYS A 40 -12.310 1.130 2.615 1.00 0.00 C ATOM 621 NZ LYS A 40 -12.610 -0.033 1.736 1.00 0.00 N ATOM 0 H LYS A 40 -10.921 5.216 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 40 -11.798 5.122 2.274 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -9.593 3.670 0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.105 3.273 2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.997 3.247 0.016 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.080 1.842 0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -12.623 3.254 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -13.571 2.417 1.446 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -11.264 1.094 2.920 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.909 1.063 3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -12.620 -0.904 2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -13.540 0.100 1.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.880 -0.109 0.999 1.00 0.00 H new ATOM 635 N ILE A 41 -8.956 6.565 1.569 1.00 0.00 N ATOM 636 CA ILE A 41 -7.873 7.368 2.124 1.00 0.00 C ATOM 637 C ILE A 41 -8.325 8.809 2.353 1.00 0.00 C ATOM 638 O ILE A 41 -7.750 9.525 3.173 1.00 0.00 O ATOM 639 CB ILE A 41 -6.634 7.361 1.202 1.00 0.00 C ATOM 640 CG1 ILE A 41 -6.112 5.933 1.018 1.00 0.00 C ATOM 641 CG2 ILE A 41 -5.539 8.255 1.767 1.00 0.00 C ATOM 642 CD1 ILE A 41 -5.322 5.739 -0.259 1.00 0.00 C ATOM 0 H ILE A 41 -8.989 6.548 0.550 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.600 6.920 3.079 1.00 0.00 H new ATOM 0 HB ILE A 41 -6.930 7.752 0.229 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -5.482 5.672 1.869 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -6.956 5.243 1.023 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -4.675 8.236 1.103 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.910 9.276 1.851 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.247 7.893 2.753 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.983 4.705 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -5.955 5.968 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.458 6.404 -0.257 1.00 0.00 H new ATOM 654 N LYS A 42 -9.356 9.229 1.626 1.00 0.00 N ATOM 655 CA LYS A 42 -9.882 10.584 1.754 1.00 0.00 C ATOM 656 C LYS A 42 -10.816 10.711 2.958 1.00 0.00 C ATOM 657 O LYS A 42 -11.348 11.787 3.226 1.00 0.00 O ATOM 658 CB LYS A 42 -10.619 10.989 0.481 1.00 0.00 C ATOM 659 CG LYS A 42 -9.717 11.608 -0.575 1.00 0.00 C ATOM 660 CD LYS A 42 -9.745 13.127 -0.514 1.00 0.00 C ATOM 661 CE LYS A 42 -10.584 13.715 -1.637 1.00 0.00 C ATOM 662 NZ LYS A 42 -12.007 13.289 -1.551 1.00 0.00 N ATOM 0 H LYS A 42 -9.844 8.650 0.942 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.036 11.253 1.909 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.108 10.111 0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.405 11.699 0.737 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.695 11.256 -0.433 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -10.033 11.277 -1.564 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -10.147 13.446 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.728 13.513 -0.578 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.528 14.803 -1.600 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.171 13.407 -2.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.561 13.778 -2.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -12.071 12.261 -1.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -12.385 13.530 -0.613 1.00 0.00 H new ATOM 676 N GLU A 43 -11.012 9.611 3.683 1.00 0.00 N ATOM 677 CA GLU A 43 -11.877 9.614 4.854 1.00 0.00 C ATOM 678 C GLU A 43 -11.082 9.284 6.111 1.00 0.00 C ATOM 679 O GLU A 43 -11.277 9.895 7.162 1.00 0.00 O ATOM 680 CB GLU A 43 -13.018 8.611 4.677 1.00 0.00 C ATOM 681 CG GLU A 43 -13.957 8.954 3.533 1.00 0.00 C ATOM 682 CD GLU A 43 -15.104 7.972 3.405 1.00 0.00 C ATOM 683 OE1 GLU A 43 -14.838 6.777 3.155 1.00 0.00 O ATOM 684 OE2 GLU A 43 -16.269 8.396 3.555 1.00 0.00 O ATOM 0 H GLU A 43 -10.583 8.709 3.478 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.300 10.613 4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.597 7.620 4.506 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -13.591 8.558 5.603 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.357 9.956 3.685 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -13.394 8.973 2.600 1.00 0.00 H new ATOM 691 N LEU A 44 -10.180 8.315 5.992 1.00 0.00 N ATOM 692 CA LEU A 44 -9.347 7.902 7.111 1.00 0.00 C ATOM 693 C LEU A 44 -7.877 8.187 6.807 1.00 0.00 C ATOM 694 O LEU A 44 -7.482 8.277 5.645 1.00 0.00 O ATOM 695 CB LEU A 44 -9.568 6.411 7.401 1.00 0.00 C ATOM 696 CG LEU A 44 -8.403 5.690 8.077 1.00 0.00 C ATOM 697 CD1 LEU A 44 -8.907 4.522 8.906 1.00 0.00 C ATOM 698 CD2 LEU A 44 -7.410 5.218 7.030 1.00 0.00 C ATOM 0 H LEU A 44 -10.009 7.801 5.128 1.00 0.00 H new ATOM 0 HA LEU A 44 -9.626 8.472 7.997 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -10.451 6.309 8.033 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -9.789 5.905 6.461 1.00 0.00 H new ATOM 0 HG LEU A 44 -7.899 6.386 8.748 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.063 4.021 9.380 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -9.589 4.888 9.674 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.432 3.817 8.261 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.582 4.705 7.519 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -7.905 4.533 6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.029 6.076 6.477 1.00 0.00 H new ATOM 710 N PHE A 45 -7.073 8.334 7.855 1.00 0.00 N ATOM 711 CA PHE A 45 -5.650 8.615 7.690 1.00 0.00 C ATOM 712 C PHE A 45 -4.819 7.339 7.774 1.00 0.00 C ATOM 713 O PHE A 45 -4.456 6.892 8.864 1.00 0.00 O ATOM 714 CB PHE A 45 -5.179 9.611 8.751 1.00 0.00 C ATOM 715 CG PHE A 45 -3.888 10.295 8.400 1.00 0.00 C ATOM 716 CD1 PHE A 45 -2.687 9.606 8.458 1.00 0.00 C ATOM 717 CD2 PHE A 45 -3.877 11.624 8.010 1.00 0.00 C ATOM 718 CE1 PHE A 45 -1.498 10.231 8.134 1.00 0.00 C ATOM 719 CE2 PHE A 45 -2.690 12.256 7.685 1.00 0.00 C ATOM 720 CZ PHE A 45 -1.499 11.558 7.747 1.00 0.00 C ATOM 0 H PHE A 45 -7.381 8.264 8.825 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.510 9.049 6.700 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -5.952 10.365 8.899 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.058 9.089 9.700 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.680 8.569 8.760 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.806 12.173 7.959 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.569 9.683 8.183 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.694 13.293 7.383 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.571 12.048 7.494 1.00 0.00 H new ATOM 730 N PHE A 46 -4.520 6.755 6.618 1.00 0.00 N ATOM 731 CA PHE A 46 -3.730 5.533 6.559 1.00 0.00 C ATOM 732 C PHE A 46 -2.243 5.833 6.747 1.00 0.00 C ATOM 733 O PHE A 46 -1.671 6.639 6.013 1.00 0.00 O ATOM 734 CB PHE A 46 -3.949 4.830 5.219 1.00 0.00 C ATOM 735 CG PHE A 46 -5.206 4.013 5.169 1.00 0.00 C ATOM 736 CD1 PHE A 46 -5.385 2.945 6.031 1.00 0.00 C ATOM 737 CD2 PHE A 46 -6.208 4.313 4.261 1.00 0.00 C ATOM 738 CE1 PHE A 46 -6.542 2.190 5.990 1.00 0.00 C ATOM 739 CE2 PHE A 46 -7.366 3.562 4.213 1.00 0.00 C ATOM 740 CZ PHE A 46 -7.534 2.500 5.080 1.00 0.00 C ATOM 0 H PHE A 46 -4.814 7.110 5.708 1.00 0.00 H new ATOM 0 HA PHE A 46 -4.056 4.880 7.368 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.980 5.578 4.426 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -3.096 4.183 5.014 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -4.612 2.699 6.744 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.082 5.144 3.583 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -6.670 1.359 6.668 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -8.139 3.805 3.499 1.00 0.00 H new ATOM 0 HZ PHE A 46 -8.440 1.913 5.047 1.00 0.00 H new ATOM 750 N PRO A 47 -1.591 5.183 7.729 1.00 0.00 N ATOM 751 CA PRO A 47 -0.164 5.387 7.993 1.00 0.00 C ATOM 752 C PRO A 47 0.711 4.706 6.948 1.00 0.00 C ATOM 753 O PRO A 47 1.821 5.153 6.660 1.00 0.00 O ATOM 754 CB PRO A 47 0.034 4.734 9.361 1.00 0.00 C ATOM 755 CG PRO A 47 -1.005 3.669 9.419 1.00 0.00 C ATOM 756 CD PRO A 47 -2.188 4.197 8.652 1.00 0.00 C ATOM 0 HA PRO A 47 0.116 6.440 7.963 1.00 0.00 H new ATOM 0 HB2 PRO A 47 1.036 4.317 9.460 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.092 5.456 10.168 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.638 2.742 8.979 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -1.277 3.446 10.451 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -2.703 3.402 8.112 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -2.921 4.659 9.313 1.00 0.00 H new ATOM 764 N VAL A 48 0.199 3.617 6.387 1.00 0.00 N ATOM 765 CA VAL A 48 0.921 2.862 5.378 1.00 0.00 C ATOM 766 C VAL A 48 -0.018 2.328 4.304 1.00 0.00 C ATOM 767 O VAL A 48 -1.022 1.690 4.607 1.00 0.00 O ATOM 768 CB VAL A 48 1.661 1.678 6.014 1.00 0.00 C ATOM 769 CG1 VAL A 48 2.718 1.127 5.073 1.00 0.00 C ATOM 770 CG2 VAL A 48 2.270 2.104 7.333 1.00 0.00 C ATOM 0 H VAL A 48 -0.719 3.238 6.618 1.00 0.00 H new ATOM 0 HA VAL A 48 1.636 3.545 4.920 1.00 0.00 H new ATOM 0 HB VAL A 48 0.946 0.877 6.203 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.227 0.289 5.549 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.244 0.788 4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.442 1.908 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.794 1.260 7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.973 2.919 7.163 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.481 2.440 8.006 1.00 0.00 H new ATOM 780 N ILE A 49 0.328 2.583 3.051 1.00 0.00 N ATOM 781 CA ILE A 49 -0.463 2.119 1.922 1.00 0.00 C ATOM 782 C ILE A 49 0.306 1.055 1.153 1.00 0.00 C ATOM 783 O ILE A 49 1.538 1.055 1.147 1.00 0.00 O ATOM 784 CB ILE A 49 -0.821 3.275 0.967 1.00 0.00 C ATOM 785 CG1 ILE A 49 -1.429 4.443 1.746 1.00 0.00 C ATOM 786 CG2 ILE A 49 -1.780 2.793 -0.112 1.00 0.00 C ATOM 787 CD1 ILE A 49 -2.764 4.117 2.380 1.00 0.00 C ATOM 0 H ILE A 49 1.159 3.114 2.790 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.389 1.700 2.317 1.00 0.00 H new ATOM 0 HB ILE A 49 0.092 3.623 0.485 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.732 4.752 2.525 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.553 5.292 1.074 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.023 3.620 -0.778 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.311 1.992 -0.684 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.693 2.421 0.353 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.135 4.991 2.916 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.477 3.837 1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.643 3.288 3.078 1.00 0.00 H new ATOM 799 N VAL A 50 -0.412 0.143 0.510 1.00 0.00 N ATOM 800 CA VAL A 50 0.234 -0.920 -0.247 1.00 0.00 C ATOM 801 C VAL A 50 -0.545 -1.270 -1.503 1.00 0.00 C ATOM 802 O VAL A 50 -1.539 -1.995 -1.456 1.00 0.00 O ATOM 803 CB VAL A 50 0.416 -2.185 0.608 1.00 0.00 C ATOM 804 CG1 VAL A 50 1.165 -3.263 -0.165 1.00 0.00 C ATOM 805 CG2 VAL A 50 1.146 -1.840 1.893 1.00 0.00 C ATOM 0 H VAL A 50 -1.432 0.118 0.497 1.00 0.00 H new ATOM 0 HA VAL A 50 1.214 -0.542 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.569 -2.580 0.858 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.280 -4.147 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.603 -3.525 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.149 -2.889 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 50 1.271 -2.741 2.493 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.125 -1.424 1.655 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.567 -1.107 2.455 1.00 0.00 H new ATOM 815 N LEU A 51 -0.073 -0.757 -2.628 1.00 0.00 N ATOM 816 CA LEU A 51 -0.706 -1.017 -3.912 1.00 0.00 C ATOM 817 C LEU A 51 -0.379 -2.432 -4.379 1.00 0.00 C ATOM 818 O LEU A 51 0.394 -3.140 -3.736 1.00 0.00 O ATOM 819 CB LEU A 51 -0.248 0.013 -4.951 1.00 0.00 C ATOM 820 CG LEU A 51 -1.173 0.195 -6.161 1.00 0.00 C ATOM 821 CD1 LEU A 51 -2.633 0.237 -5.731 1.00 0.00 C ATOM 822 CD2 LEU A 51 -0.809 1.462 -6.923 1.00 0.00 C ATOM 0 H LEU A 51 0.749 -0.156 -2.678 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.786 -0.929 -3.796 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.136 0.977 -4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.739 -0.277 -5.312 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.038 -0.662 -6.821 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -3.267 0.367 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -2.892 -0.696 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.787 1.071 -5.046 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.475 1.576 -7.778 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.913 2.325 -6.265 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.221 1.393 -7.272 1.00 0.00 H new ATOM 834 N ASP A 52 -0.975 -2.844 -5.491 1.00 0.00 N ATOM 835 CA ASP A 52 -0.741 -4.183 -6.021 1.00 0.00 C ATOM 836 C ASP A 52 -0.784 -4.198 -7.547 1.00 0.00 C ATOM 837 O ASP A 52 0.138 -4.693 -8.195 1.00 0.00 O ATOM 838 CB ASP A 52 -1.779 -5.160 -5.465 1.00 0.00 C ATOM 839 CG ASP A 52 -1.227 -6.564 -5.315 1.00 0.00 C ATOM 840 OD1 ASP A 52 -0.857 -7.169 -6.343 1.00 0.00 O ATOM 841 OD2 ASP A 52 -1.166 -7.059 -4.170 1.00 0.00 O ATOM 0 H ASP A 52 -1.620 -2.276 -6.041 1.00 0.00 H new ATOM 0 HA ASP A 52 0.256 -4.493 -5.707 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.127 -4.804 -4.496 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.645 -5.181 -6.126 1.00 0.00 H new ATOM 846 N VAL A 53 -1.860 -3.665 -8.117 1.00 0.00 N ATOM 847 CA VAL A 53 -2.009 -3.635 -9.567 1.00 0.00 C ATOM 848 C VAL A 53 -2.041 -5.054 -10.130 1.00 0.00 C ATOM 849 O VAL A 53 -1.313 -5.382 -11.068 1.00 0.00 O ATOM 850 CB VAL A 53 -0.859 -2.843 -10.228 1.00 0.00 C ATOM 851 CG1 VAL A 53 -1.034 -2.784 -11.737 1.00 0.00 C ATOM 852 CG2 VAL A 53 -0.772 -1.441 -9.643 1.00 0.00 C ATOM 0 H VAL A 53 -2.636 -3.251 -7.601 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.951 -3.136 -9.793 1.00 0.00 H new ATOM 0 HB VAL A 53 0.075 -3.364 -10.018 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -0.211 -2.221 -12.177 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -1.039 -3.796 -12.143 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.978 -2.293 -11.975 1.00 0.00 H new ATOM 0 HG21 VAL A 53 0.043 -0.898 -10.120 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.710 -0.915 -9.818 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -0.587 -1.505 -8.571 1.00 0.00 H new ATOM 862 N TRP A 54 -2.888 -5.896 -9.546 1.00 0.00 N ATOM 863 CA TRP A 54 -3.015 -7.282 -9.983 1.00 0.00 C ATOM 864 C TRP A 54 -3.706 -7.362 -11.343 1.00 0.00 C ATOM 865 O TRP A 54 -3.050 -7.472 -12.379 1.00 0.00 O ATOM 866 CB TRP A 54 -3.789 -8.095 -8.938 1.00 0.00 C ATOM 867 CG TRP A 54 -4.087 -9.501 -9.367 1.00 0.00 C ATOM 868 CD1 TRP A 54 -5.313 -10.099 -9.420 1.00 0.00 C ATOM 869 CD2 TRP A 54 -3.141 -10.483 -9.800 1.00 0.00 C ATOM 870 NE1 TRP A 54 -5.187 -11.395 -9.859 1.00 0.00 N ATOM 871 CE2 TRP A 54 -3.863 -11.655 -10.100 1.00 0.00 C ATOM 872 CE3 TRP A 54 -1.753 -10.487 -9.965 1.00 0.00 C ATOM 873 CZ2 TRP A 54 -3.243 -12.816 -10.555 1.00 0.00 C ATOM 874 CZ3 TRP A 54 -1.139 -11.641 -10.417 1.00 0.00 C ATOM 875 CH2 TRP A 54 -1.884 -12.792 -10.707 1.00 0.00 C ATOM 0 H TRP A 54 -3.497 -5.642 -8.768 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.016 -7.704 -10.087 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -3.214 -8.121 -8.012 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -4.727 -7.586 -8.716 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -6.246 -9.623 -9.156 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.954 -12.056 -9.985 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.171 -9.605 -9.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.815 -13.704 -10.780 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.067 -11.655 -10.549 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.375 -13.678 -11.057 1.00 0.00 H new ATOM 886 N MET A 55 -5.034 -7.308 -11.332 1.00 0.00 N ATOM 887 CA MET A 55 -5.815 -7.374 -12.563 1.00 0.00 C ATOM 888 C MET A 55 -5.769 -6.048 -13.325 1.00 0.00 C ATOM 889 O MET A 55 -5.525 -6.030 -14.531 1.00 0.00 O ATOM 890 CB MET A 55 -7.265 -7.746 -12.247 1.00 0.00 C ATOM 891 CG MET A 55 -7.835 -8.811 -13.171 1.00 0.00 C ATOM 892 SD MET A 55 -6.904 -10.354 -13.108 1.00 0.00 S ATOM 893 CE MET A 55 -8.204 -11.517 -12.704 1.00 0.00 C ATOM 0 H MET A 55 -5.593 -7.219 -10.483 1.00 0.00 H new ATOM 0 HA MET A 55 -5.375 -8.143 -13.198 1.00 0.00 H new ATOM 0 HB2 MET A 55 -7.325 -8.100 -11.218 1.00 0.00 H new ATOM 0 HB3 MET A 55 -7.884 -6.851 -12.313 1.00 0.00 H new ATOM 0 HG2 MET A 55 -8.872 -9.006 -12.899 1.00 0.00 H new ATOM 0 HG3 MET A 55 -7.839 -8.435 -14.194 1.00 0.00 H new ATOM 0 HE1 MET A 55 -7.785 -12.520 -12.630 1.00 0.00 H new ATOM 0 HE2 MET A 55 -8.656 -11.241 -11.751 1.00 0.00 H new ATOM 0 HE3 MET A 55 -8.964 -11.498 -13.485 1.00 0.00 H new ATOM 903 N PRO A 56 -6.012 -4.917 -12.635 1.00 0.00 N ATOM 904 CA PRO A 56 -6.004 -3.594 -13.266 1.00 0.00 C ATOM 905 C PRO A 56 -4.594 -3.069 -13.509 1.00 0.00 C ATOM 906 O PRO A 56 -3.610 -3.779 -13.302 1.00 0.00 O ATOM 907 CB PRO A 56 -6.727 -2.723 -12.242 1.00 0.00 C ATOM 908 CG PRO A 56 -6.400 -3.350 -10.933 1.00 0.00 C ATOM 909 CD PRO A 56 -6.323 -4.832 -11.193 1.00 0.00 C ATOM 0 HA PRO A 56 -6.470 -3.607 -14.251 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.384 -1.689 -12.285 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.802 -2.709 -12.419 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.454 -2.972 -10.544 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.164 -3.123 -10.189 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -5.550 -5.305 -10.588 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.263 -5.330 -10.956 1.00 0.00 H new ATOM 917 N ASP A 57 -4.508 -1.818 -13.948 1.00 0.00 N ATOM 918 CA ASP A 57 -3.223 -1.184 -14.220 1.00 0.00 C ATOM 919 C ASP A 57 -3.354 0.337 -14.184 1.00 0.00 C ATOM 920 O ASP A 57 -2.879 1.033 -15.082 1.00 0.00 O ATOM 921 CB ASP A 57 -2.688 -1.629 -15.581 1.00 0.00 C ATOM 922 CG ASP A 57 -2.343 -3.105 -15.614 1.00 0.00 C ATOM 923 OD1 ASP A 57 -1.577 -3.555 -14.736 1.00 0.00 O ATOM 924 OD2 ASP A 57 -2.839 -3.811 -16.517 1.00 0.00 O ATOM 0 H ASP A 57 -5.316 -1.221 -14.124 1.00 0.00 H new ATOM 0 HA ASP A 57 -2.521 -1.492 -13.445 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.433 -1.416 -16.348 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.801 -1.046 -15.827 1.00 0.00 H new ATOM 929 N GLY A 58 -4.004 0.846 -13.141 1.00 0.00 N ATOM 930 CA GLY A 58 -4.189 2.279 -13.009 1.00 0.00 C ATOM 931 C GLY A 58 -2.880 3.042 -13.041 1.00 0.00 C ATOM 932 O GLY A 58 -1.806 2.452 -12.924 1.00 0.00 O ATOM 0 H GLY A 58 -4.406 0.291 -12.385 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -4.832 2.634 -13.814 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.705 2.490 -12.073 1.00 0.00 H new ATOM 936 N ASP A 59 -2.969 4.359 -13.200 1.00 0.00 N ATOM 937 CA ASP A 59 -1.783 5.205 -13.247 1.00 0.00 C ATOM 938 C ASP A 59 -1.302 5.545 -11.841 1.00 0.00 C ATOM 939 O ASP A 59 -1.477 6.668 -11.367 1.00 0.00 O ATOM 940 CB ASP A 59 -2.078 6.489 -14.025 1.00 0.00 C ATOM 941 CG ASP A 59 -2.767 6.217 -15.349 1.00 0.00 C ATOM 942 OD1 ASP A 59 -2.111 5.668 -16.258 1.00 0.00 O ATOM 943 OD2 ASP A 59 -3.962 6.555 -15.477 1.00 0.00 O ATOM 0 H ASP A 59 -3.850 4.863 -13.298 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.993 4.654 -13.757 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.706 7.142 -13.419 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.145 7.023 -14.207 1.00 0.00 H new ATOM 948 N GLY A 60 -0.697 4.566 -11.176 1.00 0.00 N ATOM 949 CA GLY A 60 -0.200 4.780 -9.830 1.00 0.00 C ATOM 950 C GLY A 60 0.773 5.941 -9.743 1.00 0.00 C ATOM 951 O GLY A 60 0.969 6.515 -8.672 1.00 0.00 O ATOM 0 H GLY A 60 -0.542 3.628 -11.546 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.041 4.965 -9.162 1.00 0.00 H new ATOM 0 HA3 GLY A 60 0.292 3.872 -9.480 1.00 0.00 H new ATOM 955 N VAL A 61 1.384 6.287 -10.874 1.00 0.00 N ATOM 956 CA VAL A 61 2.340 7.381 -10.929 1.00 0.00 C ATOM 957 C VAL A 61 1.744 8.673 -10.376 1.00 0.00 C ATOM 958 O VAL A 61 2.408 9.418 -9.654 1.00 0.00 O ATOM 959 CB VAL A 61 2.806 7.624 -12.374 1.00 0.00 C ATOM 960 CG1 VAL A 61 3.907 8.663 -12.406 1.00 0.00 C ATOM 961 CG2 VAL A 61 3.270 6.324 -13.014 1.00 0.00 C ATOM 0 H VAL A 61 1.230 5.820 -11.768 1.00 0.00 H new ATOM 0 HA VAL A 61 3.191 7.093 -10.312 1.00 0.00 H new ATOM 0 HB VAL A 61 1.962 8.002 -12.951 1.00 0.00 H new ATOM 0 HG11 VAL A 61 4.226 8.824 -13.436 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.535 9.600 -11.991 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.753 8.314 -11.814 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.596 6.518 -14.036 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.100 5.912 -12.440 1.00 0.00 H new ATOM 0 HG23 VAL A 61 2.447 5.610 -13.025 1.00 0.00 H new ATOM 971 N ASN A 62 0.491 8.936 -10.725 1.00 0.00 N ATOM 972 CA ASN A 62 -0.193 10.140 -10.266 1.00 0.00 C ATOM 973 C ASN A 62 -0.889 9.913 -8.923 1.00 0.00 C ATOM 974 O ASN A 62 -1.593 10.792 -8.427 1.00 0.00 O ATOM 975 CB ASN A 62 -1.214 10.597 -11.313 1.00 0.00 C ATOM 976 CG ASN A 62 -0.873 11.952 -11.901 1.00 0.00 C ATOM 977 OD1 ASN A 62 -1.258 12.990 -11.365 1.00 0.00 O ATOM 978 ND2 ASN A 62 -0.145 11.948 -13.013 1.00 0.00 N ATOM 0 H ASN A 62 -0.073 8.333 -11.324 1.00 0.00 H new ATOM 0 HA ASN A 62 0.558 10.918 -10.128 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -1.264 9.859 -12.114 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -2.203 10.641 -10.857 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.115 12.829 -13.455 1.00 0.00 H new ATOM 0 HD22 ASN A 62 0.153 11.063 -13.424 1.00 0.00 H new ATOM 985 N PHE A 63 -0.694 8.734 -8.335 1.00 0.00 N ATOM 986 CA PHE A 63 -1.310 8.412 -7.052 1.00 0.00 C ATOM 987 C PHE A 63 -0.407 8.815 -5.891 1.00 0.00 C ATOM 988 O PHE A 63 -0.887 9.269 -4.853 1.00 0.00 O ATOM 989 CB PHE A 63 -1.628 6.916 -6.969 1.00 0.00 C ATOM 990 CG PHE A 63 -2.531 6.557 -5.822 1.00 0.00 C ATOM 991 CD1 PHE A 63 -3.632 7.342 -5.515 1.00 0.00 C ATOM 992 CD2 PHE A 63 -2.281 5.432 -5.049 1.00 0.00 C ATOM 993 CE1 PHE A 63 -4.463 7.014 -4.462 1.00 0.00 C ATOM 994 CE2 PHE A 63 -3.111 5.099 -3.995 1.00 0.00 C ATOM 995 CZ PHE A 63 -4.203 5.892 -3.702 1.00 0.00 C ATOM 0 H PHE A 63 -0.117 7.990 -8.726 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.239 8.978 -6.979 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.095 6.600 -7.902 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -0.696 6.359 -6.875 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.842 8.221 -6.107 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.428 4.809 -5.274 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.316 7.635 -4.233 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.906 4.220 -3.402 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.853 5.634 -2.879 1.00 0.00 H new ATOM 1005 N ILE A 64 0.901 8.644 -6.074 1.00 0.00 N ATOM 1006 CA ILE A 64 1.880 8.987 -5.042 1.00 0.00 C ATOM 1007 C ILE A 64 1.578 10.346 -4.424 1.00 0.00 C ATOM 1008 O ILE A 64 1.630 10.512 -3.206 1.00 0.00 O ATOM 1009 CB ILE A 64 3.315 8.998 -5.607 1.00 0.00 C ATOM 1010 CG1 ILE A 64 3.631 7.665 -6.289 1.00 0.00 C ATOM 1011 CG2 ILE A 64 4.323 9.285 -4.502 1.00 0.00 C ATOM 1012 CD1 ILE A 64 3.641 7.747 -7.799 1.00 0.00 C ATOM 0 H ILE A 64 1.309 8.269 -6.930 1.00 0.00 H new ATOM 0 HA ILE A 64 1.807 8.219 -4.272 1.00 0.00 H new ATOM 0 HB ILE A 64 3.386 9.792 -6.351 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.604 7.312 -5.946 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.895 6.924 -5.978 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.330 9.289 -4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.110 10.258 -4.059 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.251 8.514 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.872 6.766 -8.215 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.662 8.070 -8.152 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.397 8.464 -8.119 1.00 0.00 H new ATOM 1024 N ASP A 65 1.257 11.316 -5.271 1.00 0.00 N ATOM 1025 CA ASP A 65 0.940 12.657 -4.799 1.00 0.00 C ATOM 1026 C ASP A 65 -0.301 12.628 -3.919 1.00 0.00 C ATOM 1027 O ASP A 65 -0.313 13.196 -2.828 1.00 0.00 O ATOM 1028 CB ASP A 65 0.730 13.606 -5.981 1.00 0.00 C ATOM 1029 CG ASP A 65 1.350 14.970 -5.745 1.00 0.00 C ATOM 1030 OD1 ASP A 65 1.075 15.573 -4.687 1.00 0.00 O ATOM 1031 OD2 ASP A 65 2.113 15.435 -6.619 1.00 0.00 O ATOM 0 H ASP A 65 1.209 11.200 -6.283 1.00 0.00 H new ATOM 0 HA ASP A 65 1.780 13.022 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.162 13.164 -6.879 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -0.338 13.722 -6.165 1.00 0.00 H new ATOM 1036 N PHE A 66 -1.342 11.949 -4.392 1.00 0.00 N ATOM 1037 CA PHE A 66 -2.582 11.832 -3.639 1.00 0.00 C ATOM 1038 C PHE A 66 -2.299 11.261 -2.253 1.00 0.00 C ATOM 1039 O PHE A 66 -2.980 11.592 -1.281 1.00 0.00 O ATOM 1040 CB PHE A 66 -3.575 10.938 -4.390 1.00 0.00 C ATOM 1041 CG PHE A 66 -4.829 10.638 -3.619 1.00 0.00 C ATOM 1042 CD1 PHE A 66 -4.874 9.572 -2.736 1.00 0.00 C ATOM 1043 CD2 PHE A 66 -5.960 11.421 -3.778 1.00 0.00 C ATOM 1044 CE1 PHE A 66 -6.024 9.291 -2.026 1.00 0.00 C ATOM 1045 CE2 PHE A 66 -7.115 11.145 -3.070 1.00 0.00 C ATOM 1046 CZ PHE A 66 -7.147 10.079 -2.193 1.00 0.00 C ATOM 0 H PHE A 66 -1.349 11.472 -5.294 1.00 0.00 H new ATOM 0 HA PHE A 66 -3.022 12.823 -3.527 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.845 11.421 -5.329 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.083 9.999 -4.644 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.999 8.953 -2.601 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.940 12.256 -4.462 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.046 8.456 -1.341 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.991 11.762 -3.203 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.048 9.861 -1.639 1.00 0.00 H new ATOM 1056 N ILE A 67 -1.277 10.413 -2.169 1.00 0.00 N ATOM 1057 CA ILE A 67 -0.891 9.812 -0.901 1.00 0.00 C ATOM 1058 C ILE A 67 -0.365 10.880 0.048 1.00 0.00 C ATOM 1059 O ILE A 67 -0.843 11.018 1.175 1.00 0.00 O ATOM 1060 CB ILE A 67 0.190 8.725 -1.084 1.00 0.00 C ATOM 1061 CG1 ILE A 67 -0.070 7.889 -2.344 1.00 0.00 C ATOM 1062 CG2 ILE A 67 0.251 7.833 0.144 1.00 0.00 C ATOM 1063 CD1 ILE A 67 -1.512 7.452 -2.515 1.00 0.00 C ATOM 0 H ILE A 67 -0.704 10.129 -2.964 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.782 9.344 -0.483 1.00 0.00 H new ATOM 0 HB ILE A 67 1.152 9.222 -1.207 1.00 0.00 H new ATOM 0 HG12 ILE A 67 0.228 8.468 -3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 67 0.565 7.004 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 67 1.017 7.071 0.002 1.00 0.00 H new ATOM 0 HG22 ILE A 67 0.496 8.435 1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.716 7.352 0.293 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -1.609 6.867 -3.429 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -1.812 6.844 -1.661 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -2.154 8.331 -2.577 1.00 0.00 H new ATOM 1075 N LYS A 68 0.614 11.648 -0.422 1.00 0.00 N ATOM 1076 CA LYS A 68 1.192 12.718 0.382 1.00 0.00 C ATOM 1077 C LYS A 68 0.207 13.876 0.512 1.00 0.00 C ATOM 1078 O LYS A 68 0.315 14.700 1.421 1.00 0.00 O ATOM 1079 CB LYS A 68 2.499 13.210 -0.243 1.00 0.00 C ATOM 1080 CG LYS A 68 3.560 12.127 -0.367 1.00 0.00 C ATOM 1081 CD LYS A 68 4.876 12.555 0.264 1.00 0.00 C ATOM 1082 CE LYS A 68 5.673 13.454 -0.666 1.00 0.00 C ATOM 1083 NZ LYS A 68 6.556 12.671 -1.575 1.00 0.00 N ATOM 0 H LYS A 68 1.022 11.549 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 68 1.405 12.324 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.289 13.616 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.895 14.028 0.359 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.206 11.214 0.112 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.720 11.893 -1.419 1.00 0.00 H new ATOM 0 HD2 LYS A 68 4.679 13.080 1.199 1.00 0.00 H new ATOM 0 HD3 LYS A 68 5.466 11.673 0.512 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.989 14.061 -1.259 1.00 0.00 H new ATOM 0 HE3 LYS A 68 6.278 14.142 -0.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 7.082 13.321 -2.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.226 12.111 -1.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 5.977 12.033 -2.157 1.00 0.00 H new ATOM 1097 N GLU A 69 -0.761 13.927 -0.402 1.00 0.00 N ATOM 1098 CA GLU A 69 -1.774 14.972 -0.393 1.00 0.00 C ATOM 1099 C GLU A 69 -2.675 14.833 0.829 1.00 0.00 C ATOM 1100 O GLU A 69 -2.910 15.798 1.557 1.00 0.00 O ATOM 1101 CB GLU A 69 -2.612 14.904 -1.670 1.00 0.00 C ATOM 1102 CG GLU A 69 -3.557 16.082 -1.843 1.00 0.00 C ATOM 1103 CD GLU A 69 -3.962 16.296 -3.288 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -4.469 15.340 -3.911 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -3.774 17.421 -3.797 1.00 0.00 O ATOM 0 H GLU A 69 -0.862 13.252 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.272 15.939 -0.348 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.944 14.856 -2.530 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.192 13.981 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.450 15.919 -1.240 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.078 16.986 -1.466 1.00 0.00 H new ATOM 1112 N ASN A 70 -3.179 13.623 1.041 1.00 0.00 N ATOM 1113 CA ASN A 70 -4.061 13.343 2.170 1.00 0.00 C ATOM 1114 C ASN A 70 -3.402 12.383 3.159 1.00 0.00 C ATOM 1115 O ASN A 70 -4.079 11.750 3.967 1.00 0.00 O ATOM 1116 CB ASN A 70 -5.394 12.757 1.679 1.00 0.00 C ATOM 1117 CG ASN A 70 -5.313 12.204 0.266 1.00 0.00 C ATOM 1118 OD1 ASN A 70 -5.057 13.082 -0.698 1.00 0.00 O flip ATOM 1119 ND2 ASN A 70 -5.478 11.005 0.045 1.00 0.00 N flip ATOM 0 H ASN A 70 -2.992 12.817 0.444 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.255 14.285 2.683 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.708 11.963 2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.161 13.530 1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.673 10.366 0.816 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.420 10.650 -0.909 1.00 0.00 H new ATOM 1126 N SER A 71 -2.076 12.281 3.091 1.00 0.00 N ATOM 1127 CA SER A 71 -1.332 11.399 3.984 1.00 0.00 C ATOM 1128 C SER A 71 0.164 11.713 3.934 1.00 0.00 C ATOM 1129 O SER A 71 0.961 10.910 3.449 1.00 0.00 O ATOM 1130 CB SER A 71 -1.580 9.935 3.611 1.00 0.00 C ATOM 1131 OG SER A 71 -2.408 9.298 4.569 1.00 0.00 O ATOM 0 H SER A 71 -1.497 12.797 2.428 1.00 0.00 H new ATOM 0 HA SER A 71 -1.683 11.567 5.002 1.00 0.00 H new ATOM 0 HB2 SER A 71 -2.048 9.881 2.628 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.628 9.408 3.540 1.00 0.00 H new ATOM 0 HG SER A 71 -3.213 9.838 4.716 1.00 0.00 H new ATOM 1137 N PRO A 72 0.565 12.893 4.438 1.00 0.00 N ATOM 1138 CA PRO A 72 1.967 13.315 4.449 1.00 0.00 C ATOM 1139 C PRO A 72 2.783 12.581 5.504 1.00 0.00 C ATOM 1140 O PRO A 72 4.014 12.582 5.470 1.00 0.00 O ATOM 1141 CB PRO A 72 1.902 14.818 4.771 1.00 0.00 C ATOM 1142 CG PRO A 72 0.451 15.180 4.769 1.00 0.00 C ATOM 1143 CD PRO A 72 -0.306 13.911 5.031 1.00 0.00 C ATOM 0 HA PRO A 72 2.458 13.096 3.501 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.355 15.029 5.740 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.450 15.400 4.029 1.00 0.00 H new ATOM 0 HG2 PRO A 72 0.236 15.925 5.535 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.161 15.614 3.812 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.459 13.743 6.097 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -1.291 13.923 4.565 1.00 0.00 H new ATOM 1151 N ASP A 73 2.086 11.955 6.438 1.00 0.00 N ATOM 1152 CA ASP A 73 2.732 11.208 7.511 1.00 0.00 C ATOM 1153 C ASP A 73 2.461 9.714 7.373 1.00 0.00 C ATOM 1154 O ASP A 73 2.390 8.990 8.365 1.00 0.00 O ATOM 1155 CB ASP A 73 2.245 11.705 8.871 1.00 0.00 C ATOM 1156 CG ASP A 73 3.127 11.234 10.011 1.00 0.00 C ATOM 1157 OD1 ASP A 73 3.945 10.316 9.790 1.00 0.00 O ATOM 1158 OD2 ASP A 73 3.000 11.784 11.126 1.00 0.00 O ATOM 0 H ASP A 73 1.067 11.948 6.477 1.00 0.00 H new ATOM 0 HA ASP A 73 3.807 11.371 7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.214 12.795 8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.225 11.358 9.037 1.00 0.00 H new ATOM 1163 N SER A 74 2.310 9.260 6.133 1.00 0.00 N ATOM 1164 CA SER A 74 2.047 7.853 5.857 1.00 0.00 C ATOM 1165 C SER A 74 3.233 7.216 5.133 1.00 0.00 C ATOM 1166 O SER A 74 4.348 7.736 5.183 1.00 0.00 O ATOM 1167 CB SER A 74 0.774 7.714 5.018 1.00 0.00 C ATOM 1168 OG SER A 74 0.461 6.353 4.780 1.00 0.00 O ATOM 0 H SER A 74 2.366 9.848 5.302 1.00 0.00 H new ATOM 0 HA SER A 74 1.905 7.332 6.804 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.057 8.196 5.532 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.904 8.231 4.067 1.00 0.00 H new ATOM 0 HG SER A 74 -0.477 6.188 5.012 1.00 0.00 H new ATOM 1174 N VAL A 75 2.991 6.098 4.452 1.00 0.00 N ATOM 1175 CA VAL A 75 4.054 5.421 3.718 1.00 0.00 C ATOM 1176 C VAL A 75 3.537 4.720 2.472 1.00 0.00 C ATOM 1177 O VAL A 75 2.504 4.061 2.493 1.00 0.00 O ATOM 1178 CB VAL A 75 4.793 4.386 4.578 1.00 0.00 C ATOM 1179 CG1 VAL A 75 5.921 3.762 3.763 1.00 0.00 C ATOM 1180 CG2 VAL A 75 5.324 5.025 5.851 1.00 0.00 C ATOM 0 H VAL A 75 2.078 5.647 4.394 1.00 0.00 H new ATOM 0 HA VAL A 75 4.747 6.212 3.431 1.00 0.00 H new ATOM 0 HB VAL A 75 4.097 3.601 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.447 3.027 4.372 1.00 0.00 H new ATOM 0 HG12 VAL A 75 5.506 3.273 2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.618 4.540 3.451 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.844 4.274 6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.016 5.827 5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.493 5.433 6.427 1.00 0.00 H new ATOM 1190 N VAL A 76 4.270 4.884 1.383 1.00 0.00 N ATOM 1191 CA VAL A 76 3.897 4.282 0.109 1.00 0.00 C ATOM 1192 C VAL A 76 4.781 3.085 -0.224 1.00 0.00 C ATOM 1193 O VAL A 76 5.981 3.230 -0.453 1.00 0.00 O ATOM 1194 CB VAL A 76 3.978 5.305 -1.040 1.00 0.00 C ATOM 1195 CG1 VAL A 76 3.425 4.708 -2.326 1.00 0.00 C ATOM 1196 CG2 VAL A 76 3.234 6.581 -0.675 1.00 0.00 C ATOM 0 H VAL A 76 5.131 5.431 1.354 1.00 0.00 H new ATOM 0 HA VAL A 76 2.866 3.943 0.214 1.00 0.00 H new ATOM 0 HB VAL A 76 5.026 5.557 -1.203 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.490 5.445 -3.127 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.005 3.826 -2.597 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.383 4.425 -2.177 1.00 0.00 H new ATOM 0 HG21 VAL A 76 3.303 7.291 -1.499 1.00 0.00 H new ATOM 0 HG22 VAL A 76 2.187 6.349 -0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.679 7.019 0.219 1.00 0.00 H new ATOM 1206 N ILE A 77 4.174 1.901 -0.254 1.00 0.00 N ATOM 1207 CA ILE A 77 4.900 0.675 -0.566 1.00 0.00 C ATOM 1208 C ILE A 77 4.319 -0.005 -1.803 1.00 0.00 C ATOM 1209 O ILE A 77 4.135 -1.223 -1.829 1.00 0.00 O ATOM 1210 CB ILE A 77 4.872 -0.318 0.615 1.00 0.00 C ATOM 1211 CG1 ILE A 77 5.188 0.403 1.928 1.00 0.00 C ATOM 1212 CG2 ILE A 77 5.859 -1.453 0.377 1.00 0.00 C ATOM 1213 CD1 ILE A 77 6.599 0.947 1.997 1.00 0.00 C ATOM 0 H ILE A 77 3.181 1.766 -0.066 1.00 0.00 H new ATOM 0 HA ILE A 77 5.934 0.961 -0.761 1.00 0.00 H new ATOM 0 HB ILE A 77 3.870 -0.742 0.688 1.00 0.00 H new ATOM 0 HG12 ILE A 77 4.484 1.225 2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 77 5.032 -0.286 2.758 1.00 0.00 H new ATOM 0 HG21 ILE A 77 5.828 -2.145 1.219 1.00 0.00 H new ATOM 0 HG22 ILE A 77 5.592 -1.982 -0.538 1.00 0.00 H new ATOM 0 HG23 ILE A 77 6.865 -1.046 0.280 1.00 0.00 H new ATOM 0 HD11 ILE A 77 6.751 1.444 2.955 1.00 0.00 H new ATOM 0 HD12 ILE A 77 7.310 0.127 1.897 1.00 0.00 H new ATOM 0 HD13 ILE A 77 6.753 1.662 1.189 1.00 0.00 H new ATOM 1225 N VAL A 78 4.037 0.791 -2.834 1.00 0.00 N ATOM 1226 CA VAL A 78 3.483 0.274 -4.084 1.00 0.00 C ATOM 1227 C VAL A 78 4.247 -0.965 -4.547 1.00 0.00 C ATOM 1228 O VAL A 78 5.292 -0.858 -5.187 1.00 0.00 O ATOM 1229 CB VAL A 78 3.531 1.347 -5.194 1.00 0.00 C ATOM 1230 CG1 VAL A 78 2.944 0.816 -6.494 1.00 0.00 C ATOM 1231 CG2 VAL A 78 2.800 2.604 -4.746 1.00 0.00 C ATOM 0 H VAL A 78 4.184 1.800 -2.827 1.00 0.00 H new ATOM 0 HA VAL A 78 2.444 0.003 -3.894 1.00 0.00 H new ATOM 0 HB VAL A 78 4.575 1.600 -5.379 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.991 1.592 -7.258 1.00 0.00 H new ATOM 0 HG12 VAL A 78 3.515 -0.052 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.905 0.527 -6.333 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.842 3.351 -5.538 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.759 2.362 -4.530 1.00 0.00 H new ATOM 0 HG23 VAL A 78 3.274 3.000 -3.848 1.00 0.00 H new ATOM 1241 N ILE A 79 3.722 -2.139 -4.212 1.00 0.00 N ATOM 1242 CA ILE A 79 4.359 -3.393 -4.587 1.00 0.00 C ATOM 1243 C ILE A 79 4.171 -3.690 -6.078 1.00 0.00 C ATOM 1244 O ILE A 79 4.783 -3.038 -6.924 1.00 0.00 O ATOM 1245 CB ILE A 79 3.835 -4.564 -3.728 1.00 0.00 C ATOM 1246 CG1 ILE A 79 3.918 -4.207 -2.241 1.00 0.00 C ATOM 1247 CG2 ILE A 79 4.629 -5.831 -4.023 1.00 0.00 C ATOM 1248 CD1 ILE A 79 3.529 -5.345 -1.320 1.00 0.00 C ATOM 0 H ILE A 79 2.857 -2.247 -3.682 1.00 0.00 H new ATOM 0 HA ILE A 79 5.427 -3.285 -4.398 1.00 0.00 H new ATOM 0 HB ILE A 79 2.791 -4.747 -3.980 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.936 -3.894 -2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 79 3.269 -3.354 -2.044 1.00 0.00 H new ATOM 0 HG21 ILE A 79 4.249 -6.649 -3.411 1.00 0.00 H new ATOM 0 HG22 ILE A 79 4.525 -6.088 -5.077 1.00 0.00 H new ATOM 0 HG23 ILE A 79 5.681 -5.663 -3.792 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.612 -5.019 -0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.501 -5.644 -1.525 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.194 -6.192 -1.488 1.00 0.00 H new ATOM 1260 N THR A 80 3.333 -4.670 -6.400 1.00 0.00 N ATOM 1261 CA THR A 80 3.077 -5.044 -7.789 1.00 0.00 C ATOM 1262 C THR A 80 4.293 -5.744 -8.391 1.00 0.00 C ATOM 1263 O THR A 80 5.333 -5.122 -8.616 1.00 0.00 O ATOM 1264 CB THR A 80 2.704 -3.813 -8.631 1.00 0.00 C ATOM 1265 OG1 THR A 80 3.856 -3.230 -9.212 1.00 0.00 O ATOM 1266 CG2 THR A 80 1.993 -2.733 -7.844 1.00 0.00 C ATOM 0 H THR A 80 2.817 -5.223 -5.715 1.00 0.00 H new ATOM 0 HA THR A 80 2.234 -5.735 -7.799 1.00 0.00 H new ATOM 0 HB THR A 80 2.023 -4.190 -9.394 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.268 -2.612 -8.572 1.00 0.00 H new ATOM 0 HG21 THR A 80 1.761 -1.896 -8.502 1.00 0.00 H new ATOM 0 HG22 THR A 80 1.069 -3.134 -7.428 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.636 -2.390 -7.034 1.00 0.00 H new ATOM 1274 N GLY A 81 4.157 -7.041 -8.646 1.00 0.00 N ATOM 1275 CA GLY A 81 5.253 -7.805 -9.214 1.00 0.00 C ATOM 1276 C GLY A 81 5.353 -7.650 -10.720 1.00 0.00 C ATOM 1277 O GLY A 81 5.790 -6.611 -11.214 1.00 0.00 O ATOM 0 H GLY A 81 3.307 -7.577 -8.470 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.189 -7.485 -8.757 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.122 -8.859 -8.969 1.00 0.00 H new ATOM 1281 N HIS A 82 4.950 -8.687 -11.448 1.00 0.00 N ATOM 1282 CA HIS A 82 4.997 -8.661 -12.906 1.00 0.00 C ATOM 1283 C HIS A 82 4.181 -7.496 -13.457 1.00 0.00 C ATOM 1284 O HIS A 82 3.405 -6.871 -12.733 1.00 0.00 O ATOM 1285 CB HIS A 82 4.475 -9.983 -13.476 1.00 0.00 C ATOM 1286 CG HIS A 82 5.551 -10.859 -14.039 1.00 0.00 C ATOM 1287 ND1 HIS A 82 5.458 -11.465 -15.275 1.00 0.00 N ATOM 1288 CD2 HIS A 82 6.748 -11.233 -13.529 1.00 0.00 C ATOM 1289 CE1 HIS A 82 6.551 -12.173 -15.499 1.00 0.00 C ATOM 1290 NE2 HIS A 82 7.349 -12.048 -14.455 1.00 0.00 N ATOM 0 H HIS A 82 4.588 -9.555 -11.053 1.00 0.00 H new ATOM 0 HA HIS A 82 6.035 -8.527 -13.210 1.00 0.00 H new ATOM 0 HB2 HIS A 82 3.950 -10.526 -12.690 1.00 0.00 H new ATOM 0 HB3 HIS A 82 3.746 -9.769 -14.258 1.00 0.00 H new ATOM 0 HD2 HIS A 82 7.154 -10.944 -12.571 1.00 0.00 H new ATOM 0 HE1 HIS A 82 6.756 -12.755 -16.385 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.264 -12.486 -14.353 1.00 0.00 H new ATOM 1299 N GLY A 83 4.364 -7.208 -14.740 1.00 0.00 N ATOM 1300 CA GLY A 83 3.639 -6.117 -15.367 1.00 0.00 C ATOM 1301 C GLY A 83 4.557 -5.149 -16.087 1.00 0.00 C ATOM 1302 O GLY A 83 4.511 -5.034 -17.311 1.00 0.00 O ATOM 0 H GLY A 83 5.001 -7.710 -15.358 1.00 0.00 H new ATOM 0 HA2 GLY A 83 2.918 -6.524 -16.076 1.00 0.00 H new ATOM 0 HA3 GLY A 83 3.071 -5.578 -14.608 1.00 0.00 H new ATOM 1306 N SER A 84 5.393 -4.451 -15.325 1.00 0.00 N ATOM 1307 CA SER A 84 6.327 -3.488 -15.898 1.00 0.00 C ATOM 1308 C SER A 84 7.207 -2.871 -14.815 1.00 0.00 C ATOM 1309 O SER A 84 6.737 -2.084 -13.994 1.00 0.00 O ATOM 1310 CB SER A 84 5.567 -2.388 -16.642 1.00 0.00 C ATOM 1311 OG SER A 84 6.462 -1.479 -17.260 1.00 0.00 O ATOM 0 H SER A 84 5.443 -4.534 -14.310 1.00 0.00 H new ATOM 0 HA SER A 84 6.968 -4.018 -16.603 1.00 0.00 H new ATOM 0 HB2 SER A 84 4.919 -2.835 -17.396 1.00 0.00 H new ATOM 0 HB3 SER A 84 4.922 -1.852 -15.945 1.00 0.00 H new ATOM 0 HG SER A 84 5.952 -0.787 -17.730 1.00 0.00 H new ATOM 1317 N VAL A 85 8.485 -3.233 -14.822 1.00 0.00 N ATOM 1318 CA VAL A 85 9.432 -2.713 -13.843 1.00 0.00 C ATOM 1319 C VAL A 85 9.573 -1.198 -13.961 1.00 0.00 C ATOM 1320 O VAL A 85 9.985 -0.529 -13.013 1.00 0.00 O ATOM 1321 CB VAL A 85 10.820 -3.360 -14.006 1.00 0.00 C ATOM 1322 CG1 VAL A 85 10.773 -4.830 -13.620 1.00 0.00 C ATOM 1323 CG2 VAL A 85 11.323 -3.192 -15.432 1.00 0.00 C ATOM 0 H VAL A 85 8.889 -3.885 -15.495 1.00 0.00 H new ATOM 0 HA VAL A 85 9.036 -2.962 -12.859 1.00 0.00 H new ATOM 0 HB VAL A 85 11.517 -2.855 -13.337 1.00 0.00 H new ATOM 0 HG11 VAL A 85 11.763 -5.270 -13.742 1.00 0.00 H new ATOM 0 HG12 VAL A 85 10.460 -4.923 -12.580 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.063 -5.352 -14.261 1.00 0.00 H new ATOM 0 HG21 VAL A 85 12.305 -3.655 -15.528 1.00 0.00 H new ATOM 0 HG22 VAL A 85 10.627 -3.669 -16.122 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.398 -2.131 -15.669 1.00 0.00 H new ATOM 1333 N ASP A 86 9.229 -0.661 -15.128 1.00 0.00 N ATOM 1334 CA ASP A 86 9.319 0.777 -15.365 1.00 0.00 C ATOM 1335 C ASP A 86 8.237 1.539 -14.600 1.00 0.00 C ATOM 1336 O ASP A 86 8.265 2.768 -14.541 1.00 0.00 O ATOM 1337 CB ASP A 86 9.208 1.076 -16.860 1.00 0.00 C ATOM 1338 CG ASP A 86 10.319 0.431 -17.665 1.00 0.00 C ATOM 1339 OD1 ASP A 86 10.987 -0.479 -17.132 1.00 0.00 O ATOM 1340 OD2 ASP A 86 10.520 0.837 -18.829 1.00 0.00 O ATOM 0 H ASP A 86 8.886 -1.199 -15.924 1.00 0.00 H new ATOM 0 HA ASP A 86 10.290 1.112 -15.001 1.00 0.00 H new ATOM 0 HB2 ASP A 86 8.245 0.722 -17.228 1.00 0.00 H new ATOM 0 HB3 ASP A 86 9.231 2.155 -17.014 1.00 0.00 H new ATOM 1345 N THR A 87 7.296 0.811 -14.000 1.00 0.00 N ATOM 1346 CA THR A 87 6.234 1.444 -13.230 1.00 0.00 C ATOM 1347 C THR A 87 6.745 1.779 -11.836 1.00 0.00 C ATOM 1348 O THR A 87 6.365 2.789 -11.243 1.00 0.00 O ATOM 1349 CB THR A 87 4.996 0.536 -13.155 1.00 0.00 C ATOM 1350 OG1 THR A 87 3.815 1.311 -13.059 1.00 0.00 O ATOM 1351 CG2 THR A 87 5.003 -0.426 -11.980 1.00 0.00 C ATOM 0 H THR A 87 7.250 -0.207 -14.033 1.00 0.00 H new ATOM 0 HA THR A 87 5.937 2.366 -13.729 1.00 0.00 H new ATOM 0 HB THR A 87 5.024 -0.049 -14.074 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.037 0.717 -13.014 1.00 0.00 H new ATOM 0 HG21 THR A 87 4.096 -1.030 -11.999 1.00 0.00 H new ATOM 0 HG22 THR A 87 5.874 -1.077 -12.048 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.044 0.138 -11.048 1.00 0.00 H new ATOM 1359 N ALA A 88 7.630 0.926 -11.332 1.00 0.00 N ATOM 1360 CA ALA A 88 8.225 1.123 -10.020 1.00 0.00 C ATOM 1361 C ALA A 88 8.993 2.432 -9.986 1.00 0.00 C ATOM 1362 O ALA A 88 8.721 3.312 -9.168 1.00 0.00 O ATOM 1363 CB ALA A 88 9.155 -0.031 -9.692 1.00 0.00 C ATOM 0 H ALA A 88 7.951 0.088 -11.817 1.00 0.00 H new ATOM 0 HA ALA A 88 7.430 1.160 -9.276 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.596 0.126 -8.708 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.591 -0.964 -9.693 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.946 -0.084 -10.440 1.00 0.00 H new ATOM 1369 N VAL A 89 9.954 2.547 -10.891 1.00 0.00 N ATOM 1370 CA VAL A 89 10.777 3.741 -10.989 1.00 0.00 C ATOM 1371 C VAL A 89 9.933 4.964 -11.341 1.00 0.00 C ATOM 1372 O VAL A 89 10.326 6.098 -11.068 1.00 0.00 O ATOM 1373 CB VAL A 89 11.887 3.561 -12.044 1.00 0.00 C ATOM 1374 CG1 VAL A 89 12.699 2.311 -11.749 1.00 0.00 C ATOM 1375 CG2 VAL A 89 11.298 3.496 -13.447 1.00 0.00 C ATOM 0 H VAL A 89 10.183 1.822 -11.571 1.00 0.00 H new ATOM 0 HA VAL A 89 11.237 3.899 -10.013 1.00 0.00 H new ATOM 0 HB VAL A 89 12.548 4.426 -11.994 1.00 0.00 H new ATOM 0 HG11 VAL A 89 13.479 2.197 -12.502 1.00 0.00 H new ATOM 0 HG12 VAL A 89 13.157 2.398 -10.764 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.045 1.439 -11.769 1.00 0.00 H new ATOM 0 HG21 VAL A 89 12.101 3.369 -14.173 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.611 2.653 -13.514 1.00 0.00 H new ATOM 0 HG23 VAL A 89 10.760 4.420 -13.659 1.00 0.00 H new ATOM 1385 N LYS A 90 8.768 4.728 -11.943 1.00 0.00 N ATOM 1386 CA LYS A 90 7.870 5.813 -12.321 1.00 0.00 C ATOM 1387 C LYS A 90 6.876 6.108 -11.201 1.00 0.00 C ATOM 1388 O LYS A 90 5.779 6.608 -11.446 1.00 0.00 O ATOM 1389 CB LYS A 90 7.120 5.458 -13.605 1.00 0.00 C ATOM 1390 CG LYS A 90 6.438 6.647 -14.263 1.00 0.00 C ATOM 1391 CD LYS A 90 5.739 6.247 -15.551 1.00 0.00 C ATOM 1392 CE LYS A 90 6.622 6.491 -16.764 1.00 0.00 C ATOM 1393 NZ LYS A 90 6.454 5.432 -17.798 1.00 0.00 N ATOM 0 H LYS A 90 8.426 3.796 -12.178 1.00 0.00 H new ATOM 0 HA LYS A 90 8.470 6.706 -12.496 1.00 0.00 H new ATOM 0 HB2 LYS A 90 7.820 5.014 -14.313 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.370 4.699 -13.380 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.713 7.079 -13.573 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.177 7.420 -14.474 1.00 0.00 H new ATOM 0 HD2 LYS A 90 5.465 5.193 -15.505 1.00 0.00 H new ATOM 0 HD3 LYS A 90 4.813 6.813 -15.654 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.383 7.462 -17.197 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.665 6.530 -16.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.074 5.636 -18.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 6.707 4.508 -17.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 5.464 5.411 -18.116 1.00 0.00 H new ATOM 1407 N ALA A 91 7.268 5.792 -9.972 1.00 0.00 N ATOM 1408 CA ALA A 91 6.416 6.017 -8.815 1.00 0.00 C ATOM 1409 C ALA A 91 7.245 6.162 -7.543 1.00 0.00 C ATOM 1410 O ALA A 91 6.952 6.999 -6.690 1.00 0.00 O ATOM 1411 CB ALA A 91 5.419 4.876 -8.668 1.00 0.00 C ATOM 0 H ALA A 91 8.174 5.378 -9.753 1.00 0.00 H new ATOM 0 HA ALA A 91 5.870 6.948 -8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 91 4.787 5.055 -7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.799 4.818 -9.562 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.957 3.937 -8.538 1.00 0.00 H new ATOM 1417 N ILE A 92 8.282 5.337 -7.422 1.00 0.00 N ATOM 1418 CA ILE A 92 9.150 5.369 -6.253 1.00 0.00 C ATOM 1419 C ILE A 92 10.029 6.617 -6.253 1.00 0.00 C ATOM 1420 O ILE A 92 10.188 7.275 -5.224 1.00 0.00 O ATOM 1421 CB ILE A 92 10.033 4.103 -6.163 1.00 0.00 C ATOM 1422 CG1 ILE A 92 11.230 4.189 -7.120 1.00 0.00 C ATOM 1423 CG2 ILE A 92 9.206 2.858 -6.465 1.00 0.00 C ATOM 1424 CD1 ILE A 92 12.076 2.931 -7.142 1.00 0.00 C ATOM 0 H ILE A 92 8.540 4.639 -8.120 1.00 0.00 H new ATOM 0 HA ILE A 92 8.502 5.396 -5.377 1.00 0.00 H new ATOM 0 HB ILE A 92 10.419 4.036 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 92 10.866 4.391 -8.128 1.00 0.00 H new ATOM 0 HG13 ILE A 92 11.856 5.034 -6.832 1.00 0.00 H new ATOM 0 HG21 ILE A 92 9.841 1.974 -6.398 1.00 0.00 H new ATOM 0 HG22 ILE A 92 8.394 2.777 -5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 92 8.792 2.932 -7.470 1.00 0.00 H new ATOM 0 HD11 ILE A 92 12.904 3.061 -7.839 1.00 0.00 H new ATOM 0 HD12 ILE A 92 12.469 2.739 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 92 11.464 2.087 -7.459 1.00 0.00 H new ATOM 1436 N LYS A 93 10.591 6.939 -7.411 1.00 0.00 N ATOM 1437 CA LYS A 93 11.445 8.112 -7.541 1.00 0.00 C ATOM 1438 C LYS A 93 10.656 9.388 -7.261 1.00 0.00 C ATOM 1439 O LYS A 93 11.228 10.419 -6.909 1.00 0.00 O ATOM 1440 CB LYS A 93 12.058 8.172 -8.942 1.00 0.00 C ATOM 1441 CG LYS A 93 13.485 8.693 -8.960 1.00 0.00 C ATOM 1442 CD LYS A 93 13.849 9.275 -10.317 1.00 0.00 C ATOM 1443 CE LYS A 93 13.779 8.221 -11.411 1.00 0.00 C ATOM 1444 NZ LYS A 93 13.295 8.791 -12.700 1.00 0.00 N ATOM 0 H LYS A 93 10.471 6.405 -8.272 1.00 0.00 H new ATOM 0 HA LYS A 93 12.247 8.032 -6.807 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.039 7.174 -9.381 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.439 8.810 -9.573 1.00 0.00 H new ATOM 0 HG2 LYS A 93 13.604 9.457 -8.192 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.172 7.883 -8.714 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.172 10.095 -10.556 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.855 9.693 -10.277 1.00 0.00 H new ATOM 0 HE2 LYS A 93 14.766 7.782 -11.556 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.115 7.416 -11.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 13.261 8.041 -13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.343 9.188 -12.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.943 9.542 -13.012 1.00 0.00 H new ATOM 1458 N LYS A 94 9.336 9.309 -7.420 1.00 0.00 N ATOM 1459 CA LYS A 94 8.466 10.455 -7.183 1.00 0.00 C ATOM 1460 C LYS A 94 8.362 10.766 -5.693 1.00 0.00 C ATOM 1461 O LYS A 94 8.143 11.913 -5.304 1.00 0.00 O ATOM 1462 CB LYS A 94 7.075 10.192 -7.758 1.00 0.00 C ATOM 1463 CG LYS A 94 6.179 11.420 -7.772 1.00 0.00 C ATOM 1464 CD LYS A 94 6.284 12.173 -9.088 1.00 0.00 C ATOM 1465 CE LYS A 94 5.586 13.520 -9.017 1.00 0.00 C ATOM 1466 NZ LYS A 94 6.486 14.588 -8.499 1.00 0.00 N ATOM 0 H LYS A 94 8.847 8.463 -7.712 1.00 0.00 H new ATOM 0 HA LYS A 94 8.903 11.319 -7.684 1.00 0.00 H new ATOM 0 HB2 LYS A 94 7.177 9.816 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 94 6.593 9.407 -7.175 1.00 0.00 H new ATOM 0 HG2 LYS A 94 5.145 11.119 -7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.454 12.081 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.334 12.319 -9.342 1.00 0.00 H new ATOM 0 HD3 LYS A 94 5.843 11.576 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 94 5.229 13.796 -10.009 1.00 0.00 H new ATOM 0 HE3 LYS A 94 4.710 13.441 -8.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 5.971 15.491 -8.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.807 14.338 -7.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.310 14.682 -9.127 1.00 0.00 H new ATOM 1480 N GLY A 95 8.519 9.739 -4.862 1.00 0.00 N ATOM 1481 CA GLY A 95 8.438 9.935 -3.426 1.00 0.00 C ATOM 1482 C GLY A 95 8.110 8.663 -2.663 1.00 0.00 C ATOM 1483 O GLY A 95 8.355 8.580 -1.460 1.00 0.00 O ATOM 0 H GLY A 95 8.700 8.779 -5.156 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.388 10.331 -3.066 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.677 10.686 -3.211 1.00 0.00 H new ATOM 1487 N ALA A 96 7.553 7.670 -3.354 1.00 0.00 N ATOM 1488 CA ALA A 96 7.193 6.406 -2.715 1.00 0.00 C ATOM 1489 C ALA A 96 8.362 5.836 -1.914 1.00 0.00 C ATOM 1490 O ALA A 96 9.455 6.401 -1.901 1.00 0.00 O ATOM 1491 CB ALA A 96 6.716 5.397 -3.750 1.00 0.00 C ATOM 0 H ALA A 96 7.342 7.716 -4.351 1.00 0.00 H new ATOM 0 HA ALA A 96 6.376 6.606 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 96 6.453 4.463 -3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 96 5.841 5.792 -4.267 1.00 0.00 H new ATOM 0 HB3 ALA A 96 7.512 5.213 -4.472 1.00 0.00 H new ATOM 1497 N TYR A 97 8.118 4.716 -1.240 1.00 0.00 N ATOM 1498 CA TYR A 97 9.144 4.072 -0.428 1.00 0.00 C ATOM 1499 C TYR A 97 9.796 2.912 -1.170 1.00 0.00 C ATOM 1500 O TYR A 97 10.267 1.957 -0.556 1.00 0.00 O ATOM 1501 CB TYR A 97 8.534 3.574 0.876 1.00 0.00 C ATOM 1502 CG TYR A 97 9.555 3.247 1.942 1.00 0.00 C ATOM 1503 CD1 TYR A 97 10.162 4.254 2.681 1.00 0.00 C ATOM 1504 CD2 TYR A 97 9.909 1.931 2.211 1.00 0.00 C ATOM 1505 CE1 TYR A 97 11.095 3.958 3.657 1.00 0.00 C ATOM 1506 CE2 TYR A 97 10.840 1.627 3.186 1.00 0.00 C ATOM 1507 CZ TYR A 97 11.430 2.644 3.906 1.00 0.00 C ATOM 1508 OH TYR A 97 12.356 2.347 4.879 1.00 0.00 O ATOM 0 H TYR A 97 7.218 4.236 -1.240 1.00 0.00 H new ATOM 0 HA TYR A 97 9.916 4.811 -0.213 1.00 0.00 H new ATOM 0 HB2 TYR A 97 7.852 4.332 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.939 2.684 0.671 1.00 0.00 H new ATOM 0 HD1 TYR A 97 9.901 5.284 2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.449 1.132 1.649 1.00 0.00 H new ATOM 0 HE1 TYR A 97 11.560 4.753 4.222 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.104 0.598 3.383 1.00 0.00 H new ATOM 0 HH TYR A 97 12.083 2.756 5.727 1.00 0.00 H new ATOM 1518 N GLU A 98 9.818 3.011 -2.494 1.00 0.00 N ATOM 1519 CA GLU A 98 10.411 1.980 -3.350 1.00 0.00 C ATOM 1520 C GLU A 98 9.457 0.805 -3.537 1.00 0.00 C ATOM 1521 O GLU A 98 8.681 0.469 -2.643 1.00 0.00 O ATOM 1522 CB GLU A 98 11.766 1.508 -2.788 1.00 0.00 C ATOM 1523 CG GLU A 98 11.712 0.204 -1.999 1.00 0.00 C ATOM 1524 CD GLU A 98 12.725 0.166 -0.871 1.00 0.00 C ATOM 1525 OE1 GLU A 98 13.938 0.245 -1.160 1.00 0.00 O ATOM 1526 OE2 GLU A 98 12.306 0.056 0.299 1.00 0.00 O ATOM 0 H GLU A 98 9.428 3.802 -3.006 1.00 0.00 H new ATOM 0 HA GLU A 98 10.590 2.423 -4.330 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.464 1.387 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 98 12.168 2.290 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 98 10.711 0.072 -1.589 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.892 -0.633 -2.674 1.00 0.00 H new ATOM 1533 N PHE A 99 9.521 0.190 -4.713 1.00 0.00 N ATOM 1534 CA PHE A 99 8.665 -0.944 -5.034 1.00 0.00 C ATOM 1535 C PHE A 99 9.120 -2.200 -4.299 1.00 0.00 C ATOM 1536 O PHE A 99 10.315 -2.465 -4.180 1.00 0.00 O ATOM 1537 CB PHE A 99 8.673 -1.194 -6.543 1.00 0.00 C ATOM 1538 CG PHE A 99 7.438 -0.704 -7.247 1.00 0.00 C ATOM 1539 CD1 PHE A 99 6.868 0.515 -6.916 1.00 0.00 C ATOM 1540 CD2 PHE A 99 6.849 -1.466 -8.244 1.00 0.00 C ATOM 1541 CE1 PHE A 99 5.733 0.964 -7.565 1.00 0.00 C ATOM 1542 CE2 PHE A 99 5.715 -1.021 -8.898 1.00 0.00 C ATOM 1543 CZ PHE A 99 5.157 0.196 -8.558 1.00 0.00 C ATOM 0 H PHE A 99 10.159 0.460 -5.461 1.00 0.00 H new ATOM 0 HA PHE A 99 7.651 -0.707 -4.711 1.00 0.00 H new ATOM 0 HB2 PHE A 99 9.545 -0.706 -6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.783 -2.263 -6.724 1.00 0.00 H new ATOM 0 HD1 PHE A 99 7.316 1.121 -6.142 1.00 0.00 H new ATOM 0 HD2 PHE A 99 7.281 -2.419 -8.513 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.297 1.915 -7.296 1.00 0.00 H new ATOM 0 HE2 PHE A 99 5.266 -1.624 -9.673 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.272 0.546 -9.068 1.00 0.00 H new ATOM 1553 N LEU A 100 8.154 -2.969 -3.815 1.00 0.00 N ATOM 1554 CA LEU A 100 8.440 -4.201 -3.097 1.00 0.00 C ATOM 1555 C LEU A 100 8.499 -5.382 -4.062 1.00 0.00 C ATOM 1556 O LEU A 100 7.597 -5.572 -4.879 1.00 0.00 O ATOM 1557 CB LEU A 100 7.363 -4.444 -2.038 1.00 0.00 C ATOM 1558 CG LEU A 100 7.796 -5.282 -0.835 1.00 0.00 C ATOM 1559 CD1 LEU A 100 8.647 -6.461 -1.276 1.00 0.00 C ATOM 1560 CD2 LEU A 100 8.548 -4.424 0.172 1.00 0.00 C ATOM 0 H LEU A 100 7.160 -2.759 -3.908 1.00 0.00 H new ATOM 0 HA LEU A 100 9.410 -4.105 -2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 100 7.010 -3.478 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 100 6.515 -4.936 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 100 6.900 -5.672 -0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 100 8.943 -7.043 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 100 8.072 -7.092 -1.954 1.00 0.00 H new ATOM 0 HD13 LEU A 100 9.537 -6.096 -1.788 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.848 -5.038 1.021 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.434 -4.001 -0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.901 -3.618 0.518 1.00 0.00 H new ATOM 1572 N GLU A 101 9.563 -6.175 -3.966 1.00 0.00 N ATOM 1573 CA GLU A 101 9.732 -7.338 -4.834 1.00 0.00 C ATOM 1574 C GLU A 101 8.471 -8.199 -4.844 1.00 0.00 C ATOM 1575 O GLU A 101 7.728 -8.218 -5.825 1.00 0.00 O ATOM 1576 CB GLU A 101 10.930 -8.172 -4.376 1.00 0.00 C ATOM 1577 CG GLU A 101 12.238 -7.774 -5.041 1.00 0.00 C ATOM 1578 CD GLU A 101 13.451 -8.344 -4.331 1.00 0.00 C ATOM 1579 OE1 GLU A 101 13.783 -9.522 -4.578 1.00 0.00 O ATOM 1580 OE2 GLU A 101 14.067 -7.611 -3.529 1.00 0.00 O ATOM 0 H GLU A 101 10.320 -6.034 -3.297 1.00 0.00 H new ATOM 0 HA GLU A 101 9.913 -6.980 -5.848 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.037 -8.076 -3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 101 10.731 -9.223 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 101 12.234 -8.116 -6.076 1.00 0.00 H new ATOM 0 HG3 GLU A 101 12.313 -6.687 -5.065 1.00 0.00 H new ATOM 1587 N LYS A 102 8.235 -8.908 -3.743 1.00 0.00 N ATOM 1588 CA LYS A 102 7.062 -9.767 -3.624 1.00 0.00 C ATOM 1589 C LYS A 102 6.986 -10.760 -4.783 1.00 0.00 C ATOM 1590 O LYS A 102 6.130 -10.640 -5.660 1.00 0.00 O ATOM 1591 CB LYS A 102 5.789 -8.918 -3.579 1.00 0.00 C ATOM 1592 CG LYS A 102 4.665 -9.543 -2.768 1.00 0.00 C ATOM 1593 CD LYS A 102 3.642 -10.225 -3.662 1.00 0.00 C ATOM 1594 CE LYS A 102 2.655 -9.226 -4.246 1.00 0.00 C ATOM 1595 NZ LYS A 102 2.894 -8.994 -5.698 1.00 0.00 N ATOM 0 H LYS A 102 8.840 -8.904 -2.922 1.00 0.00 H new ATOM 0 HA LYS A 102 7.150 -10.332 -2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.029 -7.942 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.440 -8.749 -4.598 1.00 0.00 H new ATOM 0 HG2 LYS A 102 5.080 -10.269 -2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 102 4.173 -8.773 -2.173 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.154 -10.746 -4.471 1.00 0.00 H new ATOM 0 HD3 LYS A 102 3.102 -10.979 -3.089 1.00 0.00 H new ATOM 0 HE2 LYS A 102 1.639 -9.591 -4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 102 2.735 -8.281 -3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 2.048 -8.565 -6.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.705 -8.354 -5.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 3.096 -9.901 -6.166 1.00 0.00 H new ATOM 1609 N PRO A 103 7.888 -11.757 -4.803 1.00 0.00 N ATOM 1610 CA PRO A 103 7.919 -12.769 -5.864 1.00 0.00 C ATOM 1611 C PRO A 103 6.770 -13.768 -5.758 1.00 0.00 C ATOM 1612 O PRO A 103 6.577 -14.601 -6.644 1.00 0.00 O ATOM 1613 CB PRO A 103 9.260 -13.469 -5.642 1.00 0.00 C ATOM 1614 CG PRO A 103 9.531 -13.306 -4.186 1.00 0.00 C ATOM 1615 CD PRO A 103 8.946 -11.975 -3.799 1.00 0.00 C ATOM 0 HA PRO A 103 7.810 -12.324 -6.853 1.00 0.00 H new ATOM 0 HB2 PRO A 103 9.209 -14.522 -5.921 1.00 0.00 H new ATOM 0 HB3 PRO A 103 10.048 -13.018 -6.245 1.00 0.00 H new ATOM 0 HG2 PRO A 103 9.076 -14.113 -3.612 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.602 -13.335 -3.983 1.00 0.00 H new ATOM 0 HD2 PRO A 103 8.541 -11.994 -2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 103 9.695 -11.184 -3.828 1.00 0.00 H new ATOM 1623 N PHE A 104 6.009 -13.675 -4.674 1.00 0.00 N ATOM 1624 CA PHE A 104 4.875 -14.566 -4.451 1.00 0.00 C ATOM 1625 C PHE A 104 4.172 -14.237 -3.139 1.00 0.00 C ATOM 1626 O PHE A 104 2.944 -14.292 -3.050 1.00 0.00 O ATOM 1627 CB PHE A 104 5.331 -16.028 -4.445 1.00 0.00 C ATOM 1628 CG PHE A 104 6.258 -16.368 -3.313 1.00 0.00 C ATOM 1629 CD1 PHE A 104 7.619 -16.127 -3.418 1.00 0.00 C ATOM 1630 CD2 PHE A 104 5.768 -16.930 -2.144 1.00 0.00 C ATOM 1631 CE1 PHE A 104 8.473 -16.441 -2.378 1.00 0.00 C ATOM 1632 CE2 PHE A 104 6.618 -17.247 -1.102 1.00 0.00 C ATOM 1633 CZ PHE A 104 7.973 -17.001 -1.219 1.00 0.00 C ATOM 0 H PHE A 104 6.157 -12.990 -3.933 1.00 0.00 H new ATOM 0 HA PHE A 104 4.170 -14.419 -5.269 1.00 0.00 H new ATOM 0 HB2 PHE A 104 4.454 -16.673 -4.390 1.00 0.00 H new ATOM 0 HB3 PHE A 104 5.829 -16.248 -5.389 1.00 0.00 H new ATOM 0 HD1 PHE A 104 8.016 -15.689 -4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 104 4.710 -17.122 -2.047 1.00 0.00 H new ATOM 0 HE1 PHE A 104 9.532 -16.248 -2.472 1.00 0.00 H new ATOM 0 HE2 PHE A 104 6.224 -17.686 -0.197 1.00 0.00 H new ATOM 0 HZ PHE A 104 8.640 -17.246 -0.405 1.00 0.00 H new ATOM 1643 N SER A 105 4.955 -13.896 -2.120 1.00 0.00 N ATOM 1644 CA SER A 105 4.403 -13.561 -0.811 1.00 0.00 C ATOM 1645 C SER A 105 4.939 -12.220 -0.318 1.00 0.00 C ATOM 1646 O SER A 105 6.009 -11.776 -0.734 1.00 0.00 O ATOM 1647 CB SER A 105 4.734 -14.659 0.200 1.00 0.00 C ATOM 1648 OG SER A 105 6.135 -14.814 0.345 1.00 0.00 O ATOM 0 H SER A 105 5.972 -13.844 -2.175 1.00 0.00 H new ATOM 0 HA SER A 105 3.320 -13.482 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 105 4.290 -14.415 1.165 1.00 0.00 H new ATOM 0 HB3 SER A 105 4.292 -15.601 -0.124 1.00 0.00 H new ATOM 0 HG SER A 105 6.474 -15.399 -0.364 1.00 0.00 H new ATOM 1654 N VAL A 106 4.186 -11.582 0.574 1.00 0.00 N ATOM 1655 CA VAL A 106 4.581 -10.291 1.129 1.00 0.00 C ATOM 1656 C VAL A 106 5.543 -10.453 2.308 1.00 0.00 C ATOM 1657 O VAL A 106 5.885 -9.477 2.973 1.00 0.00 O ATOM 1658 CB VAL A 106 3.353 -9.480 1.584 1.00 0.00 C ATOM 1659 CG1 VAL A 106 2.454 -9.164 0.398 1.00 0.00 C ATOM 1660 CG2 VAL A 106 2.586 -10.229 2.659 1.00 0.00 C ATOM 0 H VAL A 106 3.298 -11.938 0.928 1.00 0.00 H new ATOM 0 HA VAL A 106 5.092 -9.752 0.331 1.00 0.00 H new ATOM 0 HB VAL A 106 3.700 -8.538 2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.591 -8.591 0.738 1.00 0.00 H new ATOM 0 HG12 VAL A 106 3.011 -8.581 -0.336 1.00 0.00 H new ATOM 0 HG13 VAL A 106 2.115 -10.093 -0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.722 -9.640 2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 106 2.249 -11.188 2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.235 -10.398 3.518 1.00 0.00 H new ATOM 1670 N GLU A 107 5.972 -11.688 2.574 1.00 0.00 N ATOM 1671 CA GLU A 107 6.889 -11.963 3.676 1.00 0.00 C ATOM 1672 C GLU A 107 7.975 -10.891 3.775 1.00 0.00 C ATOM 1673 O GLU A 107 8.245 -10.365 4.854 1.00 0.00 O ATOM 1674 CB GLU A 107 7.530 -13.335 3.493 1.00 0.00 C ATOM 1675 CG GLU A 107 8.168 -13.874 4.759 1.00 0.00 C ATOM 1676 CD GLU A 107 9.226 -14.922 4.479 1.00 0.00 C ATOM 1677 OE1 GLU A 107 10.193 -14.611 3.752 1.00 0.00 O ATOM 1678 OE2 GLU A 107 9.088 -16.056 4.986 1.00 0.00 O ATOM 0 H GLU A 107 5.698 -12.512 2.040 1.00 0.00 H new ATOM 0 HA GLU A 107 6.315 -11.952 4.602 1.00 0.00 H new ATOM 0 HB2 GLU A 107 6.773 -14.039 3.148 1.00 0.00 H new ATOM 0 HB3 GLU A 107 8.287 -13.273 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 107 8.616 -13.050 5.314 1.00 0.00 H new ATOM 0 HG3 GLU A 107 7.395 -14.305 5.396 1.00 0.00 H new ATOM 1685 N ARG A 108 8.582 -10.561 2.637 1.00 0.00 N ATOM 1686 CA ARG A 108 9.622 -9.540 2.597 1.00 0.00 C ATOM 1687 C ARG A 108 9.016 -8.167 2.867 1.00 0.00 C ATOM 1688 O ARG A 108 9.627 -7.321 3.521 1.00 0.00 O ATOM 1689 CB ARG A 108 10.328 -9.550 1.238 1.00 0.00 C ATOM 1690 CG ARG A 108 11.799 -9.925 1.323 1.00 0.00 C ATOM 1691 CD ARG A 108 12.195 -10.883 0.210 1.00 0.00 C ATOM 1692 NE ARG A 108 13.248 -11.805 0.628 1.00 0.00 N ATOM 1693 CZ ARG A 108 13.033 -12.891 1.368 1.00 0.00 C ATOM 1694 NH1 ARG A 108 11.806 -13.195 1.773 1.00 0.00 N ATOM 1695 NH2 ARG A 108 14.048 -13.676 1.704 1.00 0.00 N ATOM 0 H ARG A 108 8.371 -10.985 1.734 1.00 0.00 H new ATOM 0 HA ARG A 108 10.358 -9.759 3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 108 9.819 -10.253 0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 108 10.238 -8.564 0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 108 12.409 -9.024 1.263 1.00 0.00 H new ATOM 0 HG3 ARG A 108 12.003 -10.385 2.290 1.00 0.00 H new ATOM 0 HD2 ARG A 108 11.321 -11.451 -0.107 1.00 0.00 H new ATOM 0 HD3 ARG A 108 12.535 -10.313 -0.655 1.00 0.00 H new ATOM 0 HE ARG A 108 14.205 -11.605 0.336 1.00 0.00 H new ATOM 0 HH11 ARG A 108 11.021 -12.595 1.518 1.00 0.00 H new ATOM 0 HH12 ARG A 108 11.648 -14.028 2.340 1.00 0.00 H new ATOM 0 HH21 ARG A 108 14.993 -13.448 1.396 1.00 0.00 H new ATOM 0 HH22 ARG A 108 13.883 -14.508 2.271 1.00 0.00 H new ATOM 1709 N PHE A 109 7.801 -7.966 2.368 1.00 0.00 N ATOM 1710 CA PHE A 109 7.081 -6.711 2.555 1.00 0.00 C ATOM 1711 C PHE A 109 6.941 -6.390 4.045 1.00 0.00 C ATOM 1712 O PHE A 109 6.771 -5.233 4.427 1.00 0.00 O ATOM 1713 CB PHE A 109 5.700 -6.808 1.885 1.00 0.00 C ATOM 1714 CG PHE A 109 4.637 -5.949 2.513 1.00 0.00 C ATOM 1715 CD1 PHE A 109 4.488 -4.624 2.137 1.00 0.00 C ATOM 1716 CD2 PHE A 109 3.786 -6.468 3.477 1.00 0.00 C ATOM 1717 CE1 PHE A 109 3.511 -3.832 2.710 1.00 0.00 C ATOM 1718 CE2 PHE A 109 2.809 -5.681 4.054 1.00 0.00 C ATOM 1719 CZ PHE A 109 2.671 -4.362 3.670 1.00 0.00 C ATOM 0 H PHE A 109 7.290 -8.663 1.826 1.00 0.00 H new ATOM 0 HA PHE A 109 7.644 -5.901 2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 109 5.800 -6.531 0.836 1.00 0.00 H new ATOM 0 HB3 PHE A 109 5.371 -7.847 1.910 1.00 0.00 H new ATOM 0 HD1 PHE A 109 5.143 -4.205 1.387 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.888 -7.500 3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 109 3.404 -2.801 2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.153 -6.097 4.805 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.907 -3.745 4.120 1.00 0.00 H new ATOM 1729 N LEU A 110 7.014 -7.426 4.878 1.00 0.00 N ATOM 1730 CA LEU A 110 6.898 -7.262 6.322 1.00 0.00 C ATOM 1731 C LEU A 110 8.042 -6.422 6.879 1.00 0.00 C ATOM 1732 O LEU A 110 7.833 -5.543 7.714 1.00 0.00 O ATOM 1733 CB LEU A 110 6.884 -8.624 7.004 1.00 0.00 C ATOM 1734 CG LEU A 110 5.845 -8.780 8.113 1.00 0.00 C ATOM 1735 CD1 LEU A 110 5.616 -10.249 8.422 1.00 0.00 C ATOM 1736 CD2 LEU A 110 6.283 -8.031 9.362 1.00 0.00 C ATOM 0 H LEU A 110 7.153 -8.390 4.575 1.00 0.00 H new ATOM 0 HA LEU A 110 5.962 -6.742 6.524 1.00 0.00 H new ATOM 0 HB2 LEU A 110 6.705 -9.390 6.249 1.00 0.00 H new ATOM 0 HB3 LEU A 110 7.872 -8.814 7.423 1.00 0.00 H new ATOM 0 HG LEU A 110 4.904 -8.351 7.769 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.873 -10.343 9.214 1.00 0.00 H new ATOM 0 HD12 LEU A 110 5.258 -10.758 7.527 1.00 0.00 H new ATOM 0 HD13 LEU A 110 6.552 -10.703 8.747 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.531 -8.153 10.142 1.00 0.00 H new ATOM 0 HD22 LEU A 110 7.235 -8.430 9.711 1.00 0.00 H new ATOM 0 HD23 LEU A 110 6.397 -6.972 9.130 1.00 0.00 H new ATOM 1748 N LEU A 111 9.252 -6.705 6.411 1.00 0.00 N ATOM 1749 CA LEU A 111 10.437 -5.983 6.862 1.00 0.00 C ATOM 1750 C LEU A 111 10.259 -4.480 6.686 1.00 0.00 C ATOM 1751 O LEU A 111 10.370 -3.715 7.644 1.00 0.00 O ATOM 1752 CB LEU A 111 11.672 -6.457 6.095 1.00 0.00 C ATOM 1753 CG LEU A 111 12.163 -7.859 6.461 1.00 0.00 C ATOM 1754 CD1 LEU A 111 11.309 -8.920 5.786 1.00 0.00 C ATOM 1755 CD2 LEU A 111 13.625 -8.026 6.075 1.00 0.00 C ATOM 0 H LEU A 111 9.439 -7.430 5.718 1.00 0.00 H new ATOM 0 HA LEU A 111 10.576 -6.191 7.923 1.00 0.00 H new ATOM 0 HB2 LEU A 111 11.450 -6.434 5.028 1.00 0.00 H new ATOM 0 HB3 LEU A 111 12.482 -5.748 6.267 1.00 0.00 H new ATOM 0 HG LEU A 111 12.073 -7.984 7.540 1.00 0.00 H new ATOM 0 HD11 LEU A 111 11.675 -9.910 6.059 1.00 0.00 H new ATOM 0 HD12 LEU A 111 10.274 -8.814 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 111 11.365 -8.798 4.704 1.00 0.00 H new ATOM 0 HD21 LEU A 111 13.960 -9.028 6.342 1.00 0.00 H new ATOM 0 HD22 LEU A 111 13.737 -7.880 5.001 1.00 0.00 H new ATOM 0 HD23 LEU A 111 14.228 -7.289 6.606 1.00 0.00 H new ATOM 1767 N THR A 112 9.986 -4.066 5.455 1.00 0.00 N ATOM 1768 CA THR A 112 9.793 -2.653 5.147 1.00 0.00 C ATOM 1769 C THR A 112 8.664 -2.057 5.985 1.00 0.00 C ATOM 1770 O THR A 112 8.782 -0.946 6.501 1.00 0.00 O ATOM 1771 CB THR A 112 9.489 -2.478 3.657 1.00 0.00 C ATOM 1772 OG1 THR A 112 10.564 -2.956 2.868 1.00 0.00 O ATOM 1773 CG2 THR A 112 9.232 -1.039 3.259 1.00 0.00 C ATOM 0 H THR A 112 9.893 -4.689 4.652 1.00 0.00 H new ATOM 0 HA THR A 112 10.714 -2.123 5.391 1.00 0.00 H new ATOM 0 HB THR A 112 8.580 -3.053 3.480 1.00 0.00 H new ATOM 0 HG1 THR A 112 10.351 -2.838 1.919 1.00 0.00 H new ATOM 0 HG21 THR A 112 9.023 -0.989 2.190 1.00 0.00 H new ATOM 0 HG22 THR A 112 8.376 -0.655 3.814 1.00 0.00 H new ATOM 0 HG23 THR A 112 10.111 -0.436 3.486 1.00 0.00 H new ATOM 1781 N ILE A 113 7.567 -2.801 6.105 1.00 0.00 N ATOM 1782 CA ILE A 113 6.404 -2.352 6.869 1.00 0.00 C ATOM 1783 C ILE A 113 6.808 -1.734 8.205 1.00 0.00 C ATOM 1784 O ILE A 113 6.419 -0.608 8.516 1.00 0.00 O ATOM 1785 CB ILE A 113 5.417 -3.519 7.113 1.00 0.00 C ATOM 1786 CG1 ILE A 113 4.405 -3.603 5.969 1.00 0.00 C ATOM 1787 CG2 ILE A 113 4.699 -3.366 8.449 1.00 0.00 C ATOM 1788 CD1 ILE A 113 3.537 -2.371 5.838 1.00 0.00 C ATOM 0 H ILE A 113 7.458 -3.722 5.681 1.00 0.00 H new ATOM 0 HA ILE A 113 5.910 -1.585 6.272 1.00 0.00 H new ATOM 0 HB ILE A 113 5.990 -4.445 7.147 1.00 0.00 H new ATOM 0 HG12 ILE A 113 4.940 -3.762 5.033 1.00 0.00 H new ATOM 0 HG13 ILE A 113 3.766 -4.473 6.123 1.00 0.00 H new ATOM 0 HG21 ILE A 113 4.013 -4.201 8.591 1.00 0.00 H new ATOM 0 HG22 ILE A 113 5.431 -3.356 9.257 1.00 0.00 H new ATOM 0 HG23 ILE A 113 4.139 -2.431 8.456 1.00 0.00 H new ATOM 0 HD11 ILE A 113 2.844 -2.501 5.007 1.00 0.00 H new ATOM 0 HD12 ILE A 113 2.975 -2.222 6.760 1.00 0.00 H new ATOM 0 HD13 ILE A 113 4.166 -1.501 5.653 1.00 0.00 H new ATOM 1800 N LYS A 114 7.589 -2.468 8.991 1.00 0.00 N ATOM 1801 CA LYS A 114 8.038 -1.975 10.285 1.00 0.00 C ATOM 1802 C LYS A 114 8.601 -0.573 10.127 1.00 0.00 C ATOM 1803 O LYS A 114 8.090 0.387 10.704 1.00 0.00 O ATOM 1804 CB LYS A 114 9.094 -2.908 10.873 1.00 0.00 C ATOM 1805 CG LYS A 114 9.188 -2.844 12.389 1.00 0.00 C ATOM 1806 CD LYS A 114 9.995 -1.642 12.848 1.00 0.00 C ATOM 1807 CE LYS A 114 11.450 -1.752 12.423 1.00 0.00 C ATOM 1808 NZ LYS A 114 12.038 -3.070 12.789 1.00 0.00 N ATOM 0 H LYS A 114 7.922 -3.403 8.754 1.00 0.00 H new ATOM 0 HA LYS A 114 7.190 -1.945 10.969 1.00 0.00 H new ATOM 0 HB2 LYS A 114 8.869 -3.932 10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 114 10.065 -2.658 10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 114 8.186 -2.794 12.815 1.00 0.00 H new ATOM 0 HG3 LYS A 114 9.649 -3.758 12.765 1.00 0.00 H new ATOM 0 HD2 LYS A 114 9.562 -0.732 12.433 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.937 -1.557 13.933 1.00 0.00 H new ATOM 0 HE2 LYS A 114 11.525 -1.608 11.345 1.00 0.00 H new ATOM 0 HE3 LYS A 114 12.026 -0.955 12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.076 -3.010 12.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 11.740 -3.328 13.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 11.709 -3.795 12.119 1.00 0.00 H new ATOM 1822 N HIS A 115 9.656 -0.466 9.333 1.00 0.00 N ATOM 1823 CA HIS A 115 10.296 0.817 9.078 1.00 0.00 C ATOM 1824 C HIS A 115 9.278 1.845 8.587 1.00 0.00 C ATOM 1825 O HIS A 115 9.442 3.045 8.801 1.00 0.00 O ATOM 1826 CB HIS A 115 11.415 0.660 8.052 1.00 0.00 C ATOM 1827 CG HIS A 115 12.313 1.855 7.956 1.00 0.00 C ATOM 1828 ND1 HIS A 115 11.852 3.120 7.656 1.00 0.00 N ATOM 1829 CD2 HIS A 115 13.651 1.974 8.122 1.00 0.00 C ATOM 1830 CE1 HIS A 115 12.869 3.964 7.642 1.00 0.00 C ATOM 1831 NE2 HIS A 115 13.971 3.294 7.923 1.00 0.00 N ATOM 0 H HIS A 115 10.089 -1.255 8.852 1.00 0.00 H new ATOM 0 HA HIS A 115 10.723 1.173 10.016 1.00 0.00 H new ATOM 0 HB2 HIS A 115 12.013 -0.214 8.310 1.00 0.00 H new ATOM 0 HB3 HIS A 115 10.975 0.467 7.074 1.00 0.00 H new ATOM 0 HD1 HIS A 115 10.879 3.366 7.474 1.00 0.00 H new ATOM 0 HD2 HIS A 115 14.339 1.178 8.366 1.00 0.00 H new ATOM 0 HE1 HIS A 115 12.809 5.022 7.436 1.00 0.00 H new ATOM 1840 N ALA A 116 8.221 1.365 7.931 1.00 0.00 N ATOM 1841 CA ALA A 116 7.181 2.248 7.421 1.00 0.00 C ATOM 1842 C ALA A 116 6.447 2.938 8.566 1.00 0.00 C ATOM 1843 O ALA A 116 6.144 4.129 8.497 1.00 0.00 O ATOM 1844 CB ALA A 116 6.203 1.469 6.554 1.00 0.00 C ATOM 0 H ALA A 116 8.066 0.375 7.743 1.00 0.00 H new ATOM 0 HA ALA A 116 7.654 3.016 6.809 1.00 0.00 H new ATOM 0 HB1 ALA A 116 5.432 2.143 6.180 1.00 0.00 H new ATOM 0 HB2 ALA A 116 6.736 1.025 5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 116 5.740 0.680 7.147 1.00 0.00 H new ATOM 1850 N PHE A 117 6.167 2.179 9.621 1.00 0.00 N ATOM 1851 CA PHE A 117 5.472 2.712 10.786 1.00 0.00 C ATOM 1852 C PHE A 117 6.428 3.487 11.686 1.00 0.00 C ATOM 1853 O PHE A 117 6.026 4.427 12.370 1.00 0.00 O ATOM 1854 CB PHE A 117 4.819 1.575 11.573 1.00 0.00 C ATOM 1855 CG PHE A 117 3.526 1.103 10.974 1.00 0.00 C ATOM 1856 CD1 PHE A 117 2.338 1.750 11.268 1.00 0.00 C ATOM 1857 CD2 PHE A 117 3.498 0.014 10.117 1.00 0.00 C ATOM 1858 CE1 PHE A 117 1.146 1.323 10.719 1.00 0.00 C ATOM 1859 CE2 PHE A 117 2.309 -0.420 9.565 1.00 0.00 C ATOM 1860 CZ PHE A 117 1.130 0.237 9.867 1.00 0.00 C ATOM 0 H PHE A 117 6.412 1.191 9.692 1.00 0.00 H new ATOM 0 HA PHE A 117 4.700 3.398 10.437 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.513 0.736 11.629 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.638 1.907 12.595 1.00 0.00 H new ATOM 0 HD1 PHE A 117 2.344 2.599 11.935 1.00 0.00 H new ATOM 0 HD2 PHE A 117 4.417 -0.501 9.878 1.00 0.00 H new ATOM 0 HE1 PHE A 117 0.227 1.838 10.956 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.300 -1.270 8.899 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.198 -0.099 9.437 1.00 0.00 H new ATOM 1870 N GLU A 118 7.696 3.086 11.681 1.00 0.00 N ATOM 1871 CA GLU A 118 8.709 3.744 12.497 1.00 0.00 C ATOM 1872 C GLU A 118 8.770 5.240 12.201 1.00 0.00 C ATOM 1873 O GLU A 118 9.187 6.032 13.045 1.00 0.00 O ATOM 1874 CB GLU A 118 10.079 3.109 12.257 1.00 0.00 C ATOM 1875 CG GLU A 118 10.164 1.658 12.700 1.00 0.00 C ATOM 1876 CD GLU A 118 10.600 1.515 14.145 1.00 0.00 C ATOM 1877 OE1 GLU A 118 11.256 2.445 14.663 1.00 0.00 O ATOM 1878 OE2 GLU A 118 10.288 0.474 14.759 1.00 0.00 O ATOM 0 H GLU A 118 8.046 2.309 11.121 1.00 0.00 H new ATOM 0 HA GLU A 118 8.432 3.614 13.543 1.00 0.00 H new ATOM 0 HB2 GLU A 118 10.317 3.170 11.195 1.00 0.00 H new ATOM 0 HB3 GLU A 118 10.836 3.687 12.787 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.191 1.184 12.569 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.866 1.126 12.058 1.00 0.00 H new ATOM 1885 N GLU A 119 8.351 5.621 10.998 1.00 0.00 N ATOM 1886 CA GLU A 119 8.359 7.022 10.595 1.00 0.00 C ATOM 1887 C GLU A 119 6.982 7.651 10.783 1.00 0.00 C ATOM 1888 O GLU A 119 6.605 8.570 10.055 1.00 0.00 O ATOM 1889 CB GLU A 119 8.798 7.153 9.136 1.00 0.00 C ATOM 1890 CG GLU A 119 10.182 6.590 8.865 1.00 0.00 C ATOM 1891 CD GLU A 119 11.245 7.668 8.789 1.00 0.00 C ATOM 1892 OE1 GLU A 119 11.244 8.565 9.659 1.00 0.00 O ATOM 1893 OE2 GLU A 119 12.079 7.616 7.861 1.00 0.00 O ATOM 0 H GLU A 119 8.002 4.979 10.286 1.00 0.00 H new ATOM 0 HA GLU A 119 9.070 7.552 11.229 1.00 0.00 H new ATOM 0 HB2 GLU A 119 8.076 6.641 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 119 8.781 8.206 8.853 1.00 0.00 H new ATOM 0 HG2 GLU A 119 10.443 5.882 9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 119 10.167 6.033 7.928 1.00 0.00 H new ATOM 1900 N TYR A 120 6.236 7.155 11.765 1.00 0.00 N ATOM 1901 CA TYR A 120 4.903 7.673 12.047 1.00 0.00 C ATOM 1902 C TYR A 120 4.921 8.590 13.265 1.00 0.00 C ATOM 1903 O TYR A 120 3.924 8.716 13.975 1.00 0.00 O ATOM 1904 CB TYR A 120 3.920 6.523 12.276 1.00 0.00 C ATOM 1905 CG TYR A 120 2.480 6.898 12.006 1.00 0.00 C ATOM 1906 CD1 TYR A 120 2.097 7.410 10.774 1.00 0.00 C ATOM 1907 CD2 TYR A 120 1.506 6.742 12.984 1.00 0.00 C ATOM 1908 CE1 TYR A 120 0.783 7.756 10.522 1.00 0.00 C ATOM 1909 CE2 TYR A 120 0.189 7.085 12.740 1.00 0.00 C ATOM 1910 CZ TYR A 120 -0.167 7.592 11.508 1.00 0.00 C ATOM 1911 OH TYR A 120 -1.476 7.935 11.262 1.00 0.00 O ATOM 0 H TYR A 120 6.532 6.396 12.378 1.00 0.00 H new ATOM 0 HA TYR A 120 4.578 8.252 11.182 1.00 0.00 H new ATOM 0 HB2 TYR A 120 4.196 5.686 11.634 1.00 0.00 H new ATOM 0 HB3 TYR A 120 4.010 6.178 13.306 1.00 0.00 H new ATOM 0 HD1 TYR A 120 2.838 7.540 9.999 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.782 6.346 13.950 1.00 0.00 H new ATOM 0 HE1 TYR A 120 0.502 8.153 9.558 1.00 0.00 H new ATOM 0 HE2 TYR A 120 -0.557 6.957 13.510 1.00 0.00 H new ATOM 0 HH TYR A 120 -1.536 8.399 10.401 1.00 0.00 H new ATOM 1921 N SER A 121 6.063 9.229 13.501 1.00 0.00 N ATOM 1922 CA SER A 121 6.212 10.136 14.635 1.00 0.00 C ATOM 1923 C SER A 121 7.186 11.261 14.307 1.00 0.00 C ATOM 1924 O SER A 121 7.323 11.662 13.150 1.00 0.00 O ATOM 1925 CB SER A 121 6.694 9.370 15.867 1.00 0.00 C ATOM 1926 OG SER A 121 6.469 10.116 17.051 1.00 0.00 O ATOM 0 H SER A 121 6.898 9.136 12.923 1.00 0.00 H new ATOM 0 HA SER A 121 5.237 10.575 14.848 1.00 0.00 H new ATOM 0 HB2 SER A 121 6.174 8.414 15.931 1.00 0.00 H new ATOM 0 HB3 SER A 121 7.757 9.149 15.769 1.00 0.00 H new ATOM 0 HG SER A 121 6.784 9.604 17.825 1.00 0.00 H new TER 1932 SER A 121