USER MOD reduce.3.24.130724 H: found=0, std=0, add=888, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 888 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 Single : A 29 SER OG : rot 110:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.36) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 MET CE :methyl 176:sc= -0.747 (180deg=-0.786) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.181 K(o=-0.18,f=-1.2) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 57 LYS NZ :NH3+ 167:sc= -0.0168 (180deg=-0.192) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 162:sc= 1.16 (180deg=0.107) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 137:sc= -1.76! (180deg=-4.1!) USER MOD Single : A 79 THR OG1 : rot 68:sc= 0.244 USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= -0.0136 (180deg=-0.16) USER MOD Single : A 84 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0847) USER MOD Single : A 86 LYS NZ :NH3+ -103:sc= -0.526 (180deg=-1.99!) USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= -0.0204 (180deg=-0.185) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0568 (180deg=-0.303) USER MOD Single : A 92 LYS NZ :NH3+ 144:sc= -3.5! (180deg=-4.88!) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ -174:sc= 1.27 (180deg=1.08) USER MOD Single : A 97 ASN : amide:sc= -0.0729 X(o=-0.073,f=-0.34) USER MOD Single : A 104 LYS NZ :NH3+ -170:sc= -0.0171 (180deg=-0.129) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.0995 USER MOD Single : A 107 SER OG : rot 160:sc=-0.00118 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 SER OG : rot -24:sc= -0.176 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 22 -3.212 13.092 -3.317 1.00 1.16 N ATOM 2 CA GLY A 22 -2.530 12.326 -2.249 1.00 1.05 C ATOM 3 C GLY A 22 -2.345 10.874 -2.626 1.00 0.87 C ATOM 4 O GLY A 22 -2.763 10.454 -3.707 1.00 0.89 O ATOM 0 HA2 GLY A 22 -1.558 12.775 -2.045 1.00 1.05 H new ATOM 0 HA3 GLY A 22 -3.110 12.391 -1.329 1.00 1.05 H new ATOM 7 N LEU A 23 -1.726 10.102 -1.744 1.00 0.75 N ATOM 8 CA LEU A 23 -1.501 8.689 -2.001 1.00 0.62 C ATOM 9 C LEU A 23 -1.593 7.887 -0.711 1.00 0.51 C ATOM 10 O LEU A 23 -1.032 8.277 0.315 1.00 0.59 O ATOM 11 CB LEU A 23 -0.127 8.466 -2.637 1.00 0.75 C ATOM 12 CG LEU A 23 0.142 7.034 -3.102 1.00 1.22 C ATOM 13 CD1 LEU A 23 -0.674 6.715 -4.344 1.00 1.78 C ATOM 14 CD2 LEU A 23 1.625 6.822 -3.357 1.00 1.91 C ATOM 0 H LEU A 23 -1.372 10.431 -0.846 1.00 0.75 H new ATOM 0 HA LEU A 23 -2.274 8.350 -2.691 1.00 0.62 H new ATOM 0 HB2 LEU A 23 -0.025 9.135 -3.491 1.00 0.75 H new ATOM 0 HB3 LEU A 23 0.641 8.749 -1.917 1.00 0.75 H new ATOM 0 HG LEU A 23 -0.164 6.351 -2.310 1.00 1.22 H new ATOM 0 HD11 LEU A 23 -0.470 5.692 -4.661 1.00 1.78 H new ATOM 0 HD12 LEU A 23 -1.735 6.820 -4.119 1.00 1.78 H new ATOM 0 HD13 LEU A 23 -0.403 7.403 -5.144 1.00 1.78 H new ATOM 0 HD21 LEU A 23 1.795 5.797 -3.687 1.00 1.91 H new ATOM 0 HD22 LEU A 23 1.964 7.513 -4.129 1.00 1.91 H new ATOM 0 HD23 LEU A 23 2.182 7.004 -2.438 1.00 1.91 H new ATOM 26 N LEU A 24 -2.308 6.775 -0.765 1.00 0.40 N ATOM 27 CA LEU A 24 -2.371 5.858 0.358 1.00 0.39 C ATOM 28 C LEU A 24 -1.686 4.556 -0.028 1.00 0.38 C ATOM 29 O LEU A 24 -2.099 3.886 -0.977 1.00 0.50 O ATOM 30 CB LEU A 24 -3.824 5.598 0.773 1.00 0.44 C ATOM 31 CG LEU A 24 -4.010 4.690 1.996 1.00 0.50 C ATOM 32 CD1 LEU A 24 -3.406 5.319 3.244 1.00 1.02 C ATOM 33 CD2 LEU A 24 -5.483 4.392 2.216 1.00 1.24 C ATOM 0 H LEU A 24 -2.854 6.486 -1.577 1.00 0.40 H new ATOM 0 HA LEU A 24 -1.859 6.302 1.212 1.00 0.39 H new ATOM 0 HB2 LEU A 24 -4.302 6.556 0.978 1.00 0.44 H new ATOM 0 HB3 LEU A 24 -4.351 5.153 -0.071 1.00 0.44 H new ATOM 0 HG LEU A 24 -3.487 3.754 1.802 1.00 0.50 H new ATOM 0 HD11 LEU A 24 -3.553 4.653 4.094 1.00 1.02 H new ATOM 0 HD12 LEU A 24 -2.339 5.481 3.090 1.00 1.02 H new ATOM 0 HD13 LEU A 24 -3.893 6.274 3.442 1.00 1.02 H new ATOM 0 HD21 LEU A 24 -5.598 3.747 3.087 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -6.022 5.325 2.382 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -5.888 3.890 1.337 1.00 1.24 H new ATOM 45 N VAL A 25 -0.627 4.217 0.686 1.00 0.37 N ATOM 46 CA VAL A 25 0.168 3.046 0.357 1.00 0.40 C ATOM 47 C VAL A 25 -0.193 1.876 1.265 1.00 0.42 C ATOM 48 O VAL A 25 -0.126 1.985 2.488 1.00 0.56 O ATOM 49 CB VAL A 25 1.681 3.334 0.480 1.00 0.49 C ATOM 50 CG1 VAL A 25 2.501 2.129 0.041 1.00 0.95 C ATOM 51 CG2 VAL A 25 2.064 4.568 -0.326 1.00 0.84 C ATOM 0 H VAL A 25 -0.297 4.737 1.499 1.00 0.37 H new ATOM 0 HA VAL A 25 -0.056 2.788 -0.678 1.00 0.40 H new ATOM 0 HB VAL A 25 1.902 3.530 1.529 1.00 0.49 H new ATOM 0 HG11 VAL A 25 3.563 2.357 0.137 1.00 0.95 H new ATOM 0 HG12 VAL A 25 2.255 1.273 0.670 1.00 0.95 H new ATOM 0 HG13 VAL A 25 2.273 1.893 -0.998 1.00 0.95 H new ATOM 0 HG21 VAL A 25 3.134 4.751 -0.224 1.00 0.84 H new ATOM 0 HG22 VAL A 25 1.822 4.406 -1.376 1.00 0.84 H new ATOM 0 HG23 VAL A 25 1.511 5.431 0.045 1.00 0.84 H new ATOM 61 N LEU A 26 -0.580 0.765 0.665 1.00 0.46 N ATOM 62 CA LEU A 26 -0.898 -0.432 1.418 1.00 0.57 C ATOM 63 C LEU A 26 0.144 -1.501 1.126 1.00 0.51 C ATOM 64 O LEU A 26 0.174 -2.056 0.031 1.00 0.58 O ATOM 65 CB LEU A 26 -2.291 -0.944 1.044 1.00 0.75 C ATOM 66 CG LEU A 26 -3.416 0.090 1.129 1.00 0.74 C ATOM 67 CD1 LEU A 26 -4.748 -0.552 0.806 1.00 1.17 C ATOM 68 CD2 LEU A 26 -3.463 0.725 2.505 1.00 1.00 C ATOM 0 H LEU A 26 -0.682 0.668 -0.345 1.00 0.46 H new ATOM 0 HA LEU A 26 -0.892 -0.197 2.482 1.00 0.57 H new ATOM 0 HB2 LEU A 26 -2.255 -1.334 0.027 1.00 0.75 H new ATOM 0 HB3 LEU A 26 -2.539 -1.780 1.697 1.00 0.75 H new ATOM 0 HG LEU A 26 -3.214 0.871 0.396 1.00 0.74 H new ATOM 0 HD11 LEU A 26 -5.538 0.196 0.871 1.00 1.17 H new ATOM 0 HD12 LEU A 26 -4.719 -0.962 -0.203 1.00 1.17 H new ATOM 0 HD13 LEU A 26 -4.948 -1.353 1.518 1.00 1.17 H new ATOM 0 HD21 LEU A 26 -4.270 1.456 2.541 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -3.638 -0.046 3.256 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -2.514 1.222 2.709 1.00 1.00 H new ATOM 80 N ILE A 27 0.994 -1.795 2.097 1.00 0.50 N ATOM 81 CA ILE A 27 2.104 -2.707 1.869 1.00 0.49 C ATOM 82 C ILE A 27 1.996 -3.942 2.758 1.00 0.51 C ATOM 83 O ILE A 27 1.710 -3.842 3.953 1.00 0.72 O ATOM 84 CB ILE A 27 3.465 -2.000 2.102 1.00 0.59 C ATOM 85 CG1 ILE A 27 4.628 -2.974 1.866 1.00 0.87 C ATOM 86 CG2 ILE A 27 3.539 -1.406 3.504 1.00 1.00 C ATOM 87 CD1 ILE A 27 5.997 -2.340 2.005 1.00 0.96 C ATOM 0 H ILE A 27 0.938 -1.419 3.043 1.00 0.50 H new ATOM 0 HA ILE A 27 2.053 -3.027 0.828 1.00 0.49 H new ATOM 0 HB ILE A 27 3.548 -1.184 1.384 1.00 0.59 H new ATOM 0 HG12 ILE A 27 4.547 -3.799 2.573 1.00 0.87 H new ATOM 0 HG13 ILE A 27 4.535 -3.400 0.867 1.00 0.87 H new ATOM 0 HG21 ILE A 27 4.503 -0.916 3.641 1.00 1.00 H new ATOM 0 HG22 ILE A 27 2.740 -0.676 3.633 1.00 1.00 H new ATOM 0 HG23 ILE A 27 3.427 -2.200 4.242 1.00 1.00 H new ATOM 0 HD11 ILE A 27 6.766 -3.091 1.824 1.00 0.96 H new ATOM 0 HD12 ILE A 27 6.100 -1.533 1.279 1.00 0.96 H new ATOM 0 HD13 ILE A 27 6.112 -1.939 3.012 1.00 0.96 H new ATOM 99 N TRP A 28 2.199 -5.111 2.164 1.00 0.45 N ATOM 100 CA TRP A 28 2.232 -6.346 2.927 1.00 0.48 C ATOM 101 C TRP A 28 3.492 -7.127 2.583 1.00 0.48 C ATOM 102 O TRP A 28 3.564 -7.807 1.558 1.00 0.49 O ATOM 103 CB TRP A 28 0.992 -7.202 2.644 1.00 0.56 C ATOM 104 CG TRP A 28 0.660 -8.159 3.753 1.00 0.89 C ATOM 105 CD1 TRP A 28 -0.307 -7.995 4.702 1.00 1.53 C ATOM 106 CD2 TRP A 28 1.290 -9.418 4.035 1.00 1.15 C ATOM 107 NE1 TRP A 28 -0.320 -9.072 5.554 1.00 2.09 N ATOM 108 CE2 TRP A 28 0.651 -9.958 5.169 1.00 1.83 C ATOM 109 CE3 TRP A 28 2.331 -10.143 3.444 1.00 1.19 C ATOM 110 CZ2 TRP A 28 1.015 -11.184 5.718 1.00 2.26 C ATOM 111 CZ3 TRP A 28 2.693 -11.359 3.992 1.00 1.61 C ATOM 112 CH2 TRP A 28 2.036 -11.868 5.119 1.00 2.06 C ATOM 0 H TRP A 28 2.342 -5.227 1.161 1.00 0.45 H new ATOM 0 HA TRP A 28 2.236 -6.096 3.988 1.00 0.48 H new ATOM 0 HB2 TRP A 28 0.138 -6.546 2.473 1.00 0.56 H new ATOM 0 HB3 TRP A 28 1.151 -7.765 1.724 1.00 0.56 H new ATOM 0 HD1 TRP A 28 -0.966 -7.142 4.773 1.00 1.53 H new ATOM 0 HE1 TRP A 28 -0.951 -9.193 6.346 1.00 2.09 H new ATOM 0 HE3 TRP A 28 2.843 -9.759 2.574 1.00 1.19 H new ATOM 0 HZ2 TRP A 28 0.509 -11.581 6.586 1.00 2.26 H new ATOM 0 HZ3 TRP A 28 3.496 -11.926 3.544 1.00 1.61 H new ATOM 0 HH2 TRP A 28 2.342 -12.821 5.524 1.00 2.06 H new ATOM 123 N SER A 29 4.491 -6.984 3.429 1.00 0.50 N ATOM 124 CA SER A 29 5.725 -7.734 3.307 1.00 0.54 C ATOM 125 C SER A 29 6.222 -8.087 4.697 1.00 0.60 C ATOM 126 O SER A 29 5.721 -7.540 5.685 1.00 0.87 O ATOM 127 CB SER A 29 6.767 -6.900 2.560 1.00 0.57 C ATOM 128 OG SER A 29 6.905 -5.613 3.142 1.00 1.29 O ATOM 0 H SER A 29 4.471 -6.343 4.222 1.00 0.50 H new ATOM 0 HA SER A 29 5.552 -8.650 2.742 1.00 0.54 H new ATOM 0 HB2 SER A 29 7.728 -7.414 2.576 1.00 0.57 H new ATOM 0 HB3 SER A 29 6.476 -6.800 1.514 1.00 0.57 H new ATOM 0 HG SER A 29 7.775 -5.547 3.588 1.00 1.29 H new ATOM 134 N ASN A 30 7.187 -8.985 4.807 1.00 0.65 N ATOM 135 CA ASN A 30 7.818 -9.175 6.097 1.00 0.69 C ATOM 136 C ASN A 30 9.329 -9.075 5.980 1.00 0.68 C ATOM 137 O ASN A 30 10.065 -10.031 6.210 1.00 0.75 O ATOM 138 CB ASN A 30 7.400 -10.526 6.707 1.00 0.81 C ATOM 139 CG ASN A 30 7.662 -11.712 5.790 1.00 1.55 C ATOM 140 OD1 ASN A 30 8.722 -12.334 5.842 1.00 2.33 O ATOM 141 ND2 ASN A 30 6.699 -12.037 4.942 1.00 2.23 N ATOM 0 H ASN A 30 7.538 -9.572 4.050 1.00 0.65 H new ATOM 0 HA ASN A 30 7.482 -8.381 6.764 1.00 0.69 H new ATOM 0 HB2 ASN A 30 7.938 -10.675 7.643 1.00 0.81 H new ATOM 0 HB3 ASN A 30 6.338 -10.493 6.951 1.00 0.81 H new ATOM 0 HD21 ASN A 30 6.824 -12.824 4.306 1.00 2.23 H new ATOM 0 HD22 ASN A 30 5.832 -11.500 4.925 1.00 2.23 H new ATOM 148 N ASP A 31 9.783 -7.884 5.639 1.00 0.63 N ATOM 149 CA ASP A 31 11.162 -7.484 5.840 1.00 0.64 C ATOM 150 C ASP A 31 11.165 -6.259 6.739 1.00 0.65 C ATOM 151 O ASP A 31 10.432 -5.301 6.484 1.00 0.78 O ATOM 152 CB ASP A 31 11.864 -7.203 4.512 1.00 0.67 C ATOM 153 CG ASP A 31 13.350 -6.962 4.691 1.00 0.72 C ATOM 154 OD1 ASP A 31 13.745 -5.806 4.942 1.00 1.45 O ATOM 155 OD2 ASP A 31 14.134 -7.934 4.593 1.00 1.13 O ATOM 0 H ASP A 31 9.202 -7.163 5.212 1.00 0.63 H new ATOM 0 HA ASP A 31 11.718 -8.294 6.312 1.00 0.64 H new ATOM 0 HB2 ASP A 31 11.713 -8.046 3.837 1.00 0.67 H new ATOM 0 HB3 ASP A 31 11.410 -6.331 4.040 1.00 0.67 H new ATOM 160 N LYS A 32 11.979 -6.282 7.781 1.00 0.69 N ATOM 161 CA LYS A 32 11.945 -5.227 8.786 1.00 0.77 C ATOM 162 C LYS A 32 12.441 -3.896 8.219 1.00 0.71 C ATOM 163 O LYS A 32 11.955 -2.833 8.601 1.00 0.77 O ATOM 164 CB LYS A 32 12.773 -5.630 10.010 1.00 0.97 C ATOM 165 CG LYS A 32 12.616 -4.700 11.211 1.00 1.52 C ATOM 166 CD LYS A 32 11.420 -5.063 12.094 1.00 2.06 C ATOM 167 CE LYS A 32 10.081 -4.859 11.395 1.00 2.28 C ATOM 168 NZ LYS A 32 8.936 -5.039 12.327 1.00 3.05 N ATOM 0 H LYS A 32 12.668 -7.014 7.955 1.00 0.69 H new ATOM 0 HA LYS A 32 10.907 -5.091 9.091 1.00 0.77 H new ATOM 0 HB2 LYS A 32 12.491 -6.640 10.308 1.00 0.97 H new ATOM 0 HB3 LYS A 32 13.825 -5.664 9.727 1.00 0.97 H new ATOM 0 HG2 LYS A 32 13.526 -4.732 11.810 1.00 1.52 H new ATOM 0 HG3 LYS A 32 12.502 -3.675 10.858 1.00 1.52 H new ATOM 0 HD2 LYS A 32 11.507 -6.104 12.404 1.00 2.06 H new ATOM 0 HD3 LYS A 32 11.447 -4.457 13.000 1.00 2.06 H new ATOM 0 HE2 LYS A 32 10.045 -3.858 10.965 1.00 2.28 H new ATOM 0 HE3 LYS A 32 9.991 -5.565 10.569 1.00 2.28 H new ATOM 0 HZ1 LYS A 32 8.044 -4.892 11.813 1.00 3.05 H new ATOM 0 HZ2 LYS A 32 8.955 -6.002 12.719 1.00 3.05 H new ATOM 0 HZ3 LYS A 32 9.007 -4.349 13.102 1.00 3.05 H new ATOM 182 N LYS A 33 13.393 -3.953 7.297 1.00 0.71 N ATOM 183 CA LYS A 33 13.935 -2.740 6.704 1.00 0.75 C ATOM 184 C LYS A 33 13.093 -2.277 5.523 1.00 0.64 C ATOM 185 O LYS A 33 12.947 -1.080 5.302 1.00 0.63 O ATOM 186 CB LYS A 33 15.381 -2.941 6.256 1.00 0.94 C ATOM 187 CG LYS A 33 16.372 -3.056 7.401 1.00 1.55 C ATOM 188 CD LYS A 33 17.803 -3.115 6.892 1.00 2.09 C ATOM 189 CE LYS A 33 18.049 -4.354 6.045 1.00 2.72 C ATOM 190 NZ LYS A 33 19.399 -4.347 5.427 1.00 3.16 N ATOM 0 H LYS A 33 13.802 -4.819 6.947 1.00 0.71 H new ATOM 0 HA LYS A 33 13.910 -1.970 7.475 1.00 0.75 H new ATOM 0 HB2 LYS A 33 15.440 -3.843 5.646 1.00 0.94 H new ATOM 0 HB3 LYS A 33 15.673 -2.106 5.619 1.00 0.94 H new ATOM 0 HG2 LYS A 33 16.257 -2.204 8.071 1.00 1.55 H new ATOM 0 HG3 LYS A 33 16.154 -3.951 7.984 1.00 1.55 H new ATOM 0 HD2 LYS A 33 18.017 -2.223 6.303 1.00 2.09 H new ATOM 0 HD3 LYS A 33 18.490 -3.110 7.738 1.00 2.09 H new ATOM 0 HE2 LYS A 33 17.939 -5.244 6.664 1.00 2.72 H new ATOM 0 HE3 LYS A 33 17.293 -4.414 5.263 1.00 2.72 H new ATOM 0 HZ1 LYS A 33 19.525 -5.209 4.859 1.00 3.16 H new ATOM 0 HZ2 LYS A 33 19.496 -3.512 4.815 1.00 3.16 H new ATOM 0 HZ3 LYS A 33 20.122 -4.316 6.174 1.00 3.16 H new ATOM 204 N LEU A 34 12.547 -3.228 4.770 1.00 0.62 N ATOM 205 CA LEU A 34 11.721 -2.913 3.602 1.00 0.61 C ATOM 206 C LEU A 34 10.554 -2.009 3.983 1.00 0.54 C ATOM 207 O LEU A 34 10.330 -0.969 3.358 1.00 0.61 O ATOM 208 CB LEU A 34 11.187 -4.198 2.964 1.00 0.66 C ATOM 209 CG LEU A 34 10.312 -4.010 1.716 1.00 0.80 C ATOM 210 CD1 LEU A 34 11.075 -3.267 0.633 1.00 1.22 C ATOM 211 CD2 LEU A 34 9.834 -5.356 1.192 1.00 1.59 C ATOM 0 H LEU A 34 12.661 -4.226 4.946 1.00 0.62 H new ATOM 0 HA LEU A 34 12.349 -2.387 2.883 1.00 0.61 H new ATOM 0 HB2 LEU A 34 12.035 -4.829 2.698 1.00 0.66 H new ATOM 0 HB3 LEU A 34 10.608 -4.740 3.712 1.00 0.66 H new ATOM 0 HG LEU A 34 9.442 -3.416 1.997 1.00 0.80 H new ATOM 0 HD11 LEU A 34 10.437 -3.144 -0.242 1.00 1.22 H new ATOM 0 HD12 LEU A 34 11.373 -2.287 1.005 1.00 1.22 H new ATOM 0 HD13 LEU A 34 11.963 -3.836 0.358 1.00 1.22 H new ATOM 0 HD21 LEU A 34 9.215 -5.203 0.308 1.00 1.59 H new ATOM 0 HD22 LEU A 34 10.695 -5.971 0.931 1.00 1.59 H new ATOM 0 HD23 LEU A 34 9.249 -5.859 1.962 1.00 1.59 H new ATOM 223 N ILE A 35 9.824 -2.408 5.016 1.00 0.48 N ATOM 224 CA ILE A 35 8.671 -1.647 5.475 1.00 0.49 C ATOM 225 C ILE A 35 9.098 -0.265 5.960 1.00 0.48 C ATOM 226 O ILE A 35 8.480 0.740 5.616 1.00 0.53 O ATOM 227 CB ILE A 35 7.922 -2.384 6.606 1.00 0.55 C ATOM 228 CG1 ILE A 35 7.515 -3.786 6.141 1.00 0.61 C ATOM 229 CG2 ILE A 35 6.695 -1.589 7.043 1.00 0.64 C ATOM 230 CD1 ILE A 35 6.856 -4.619 7.219 1.00 1.01 C ATOM 0 H ILE A 35 10.011 -3.255 5.552 1.00 0.48 H new ATOM 0 HA ILE A 35 7.994 -1.538 4.627 1.00 0.49 H new ATOM 0 HB ILE A 35 8.590 -2.479 7.462 1.00 0.55 H new ATOM 0 HG12 ILE A 35 6.832 -3.695 5.297 1.00 0.61 H new ATOM 0 HG13 ILE A 35 8.400 -4.310 5.780 1.00 0.61 H new ATOM 0 HG21 ILE A 35 6.180 -2.124 7.841 1.00 0.64 H new ATOM 0 HG22 ILE A 35 7.006 -0.609 7.405 1.00 0.64 H new ATOM 0 HG23 ILE A 35 6.021 -1.465 6.195 1.00 0.64 H new ATOM 0 HD11 ILE A 35 6.596 -5.598 6.815 1.00 1.01 H new ATOM 0 HD12 ILE A 35 7.544 -4.743 8.055 1.00 1.01 H new ATOM 0 HD13 ILE A 35 5.952 -4.118 7.564 1.00 1.01 H new ATOM 242 N GLU A 36 10.176 -0.220 6.737 1.00 0.50 N ATOM 243 CA GLU A 36 10.679 1.038 7.278 1.00 0.53 C ATOM 244 C GLU A 36 11.213 1.955 6.180 1.00 0.48 C ATOM 245 O GLU A 36 11.101 3.179 6.281 1.00 0.51 O ATOM 246 CB GLU A 36 11.768 0.775 8.316 1.00 0.66 C ATOM 247 CG GLU A 36 11.222 0.273 9.640 1.00 1.22 C ATOM 248 CD GLU A 36 10.281 1.270 10.280 1.00 1.73 C ATOM 249 OE1 GLU A 36 10.764 2.301 10.794 1.00 2.62 O ATOM 250 OE2 GLU A 36 9.058 1.028 10.283 1.00 2.01 O ATOM 0 H GLU A 36 10.718 -1.041 7.006 1.00 0.50 H new ATOM 0 HA GLU A 36 9.841 1.545 7.757 1.00 0.53 H new ATOM 0 HB2 GLU A 36 12.471 0.042 7.919 1.00 0.66 H new ATOM 0 HB3 GLU A 36 12.328 1.694 8.486 1.00 0.66 H new ATOM 0 HG2 GLU A 36 10.698 -0.670 9.482 1.00 1.22 H new ATOM 0 HG3 GLU A 36 12.050 0.068 10.319 1.00 1.22 H new ATOM 257 N GLU A 37 11.785 1.362 5.140 1.00 0.48 N ATOM 258 CA GLU A 37 12.335 2.110 4.028 1.00 0.51 C ATOM 259 C GLU A 37 11.225 2.836 3.274 1.00 0.44 C ATOM 260 O GLU A 37 11.320 4.032 2.996 1.00 0.48 O ATOM 261 CB GLU A 37 13.060 1.151 3.092 1.00 0.65 C ATOM 262 CG GLU A 37 13.868 1.849 2.029 1.00 0.80 C ATOM 263 CD GLU A 37 15.103 2.524 2.585 1.00 0.91 C ATOM 264 OE1 GLU A 37 15.037 3.726 2.910 1.00 1.61 O ATOM 265 OE2 GLU A 37 16.151 1.850 2.703 1.00 1.55 O ATOM 0 H GLU A 37 11.878 0.350 5.048 1.00 0.48 H new ATOM 0 HA GLU A 37 13.036 2.854 4.407 1.00 0.51 H new ATOM 0 HB2 GLU A 37 13.720 0.512 3.679 1.00 0.65 H new ATOM 0 HB3 GLU A 37 12.329 0.500 2.613 1.00 0.65 H new ATOM 0 HG2 GLU A 37 14.165 1.125 1.270 1.00 0.80 H new ATOM 0 HG3 GLU A 37 13.244 2.593 1.534 1.00 0.80 H new ATOM 272 N ALA A 38 10.167 2.102 2.955 1.00 0.40 N ATOM 273 CA ALA A 38 9.014 2.677 2.280 1.00 0.42 C ATOM 274 C ALA A 38 8.304 3.670 3.195 1.00 0.39 C ATOM 275 O ALA A 38 7.805 4.703 2.749 1.00 0.42 O ATOM 276 CB ALA A 38 8.058 1.576 1.845 1.00 0.50 C ATOM 0 H ALA A 38 10.085 1.105 3.154 1.00 0.40 H new ATOM 0 HA ALA A 38 9.357 3.210 1.393 1.00 0.42 H new ATOM 0 HB1 ALA A 38 7.199 2.018 1.341 1.00 0.50 H new ATOM 0 HB2 ALA A 38 8.570 0.898 1.162 1.00 0.50 H new ATOM 0 HB3 ALA A 38 7.719 1.021 2.720 1.00 0.50 H new ATOM 282 N ARG A 39 8.288 3.342 4.480 1.00 0.41 N ATOM 283 CA ARG A 39 7.647 4.166 5.498 1.00 0.50 C ATOM 284 C ARG A 39 8.243 5.572 5.535 1.00 0.46 C ATOM 285 O ARG A 39 7.523 6.560 5.412 1.00 0.52 O ATOM 286 CB ARG A 39 7.806 3.488 6.860 1.00 0.62 C ATOM 287 CG ARG A 39 7.095 4.186 8.005 1.00 1.18 C ATOM 288 CD ARG A 39 7.344 3.448 9.308 1.00 1.43 C ATOM 289 NE ARG A 39 6.685 4.077 10.448 1.00 1.88 N ATOM 290 CZ ARG A 39 6.820 3.656 11.704 1.00 2.58 C ATOM 291 NH1 ARG A 39 7.609 2.625 11.985 1.00 2.84 N ATOM 292 NH2 ARG A 39 6.167 4.272 12.679 1.00 3.48 N ATOM 0 H ARG A 39 8.720 2.494 4.848 1.00 0.41 H new ATOM 0 HA ARG A 39 6.590 4.266 5.253 1.00 0.50 H new ATOM 0 HB2 ARG A 39 7.432 2.467 6.788 1.00 0.62 H new ATOM 0 HB3 ARG A 39 8.868 3.423 7.096 1.00 0.62 H new ATOM 0 HG2 ARG A 39 7.448 5.214 8.088 1.00 1.18 H new ATOM 0 HG3 ARG A 39 6.025 4.231 7.804 1.00 1.18 H new ATOM 0 HD2 ARG A 39 6.992 2.421 9.212 1.00 1.43 H new ATOM 0 HD3 ARG A 39 8.417 3.401 9.495 1.00 1.43 H new ATOM 0 HE ARG A 39 6.087 4.885 10.273 1.00 1.88 H new ATOM 0 HH11 ARG A 39 8.115 2.151 11.237 1.00 2.84 H new ATOM 0 HH12 ARG A 39 7.709 2.307 12.949 1.00 2.84 H new ATOM 0 HH21 ARG A 39 5.563 5.066 12.466 1.00 3.48 H new ATOM 0 HH22 ARG A 39 6.268 3.952 13.642 1.00 3.48 H new ATOM 306 N LYS A 40 9.562 5.651 5.679 1.00 0.45 N ATOM 307 CA LYS A 40 10.244 6.937 5.811 1.00 0.49 C ATOM 308 C LYS A 40 10.150 7.752 4.520 1.00 0.42 C ATOM 309 O LYS A 40 10.070 8.980 4.556 1.00 0.47 O ATOM 310 CB LYS A 40 11.711 6.724 6.208 1.00 0.62 C ATOM 311 CG LYS A 40 12.500 5.887 5.212 1.00 1.06 C ATOM 312 CD LYS A 40 13.873 5.506 5.743 1.00 1.58 C ATOM 313 CE LYS A 40 14.757 6.722 5.961 1.00 2.12 C ATOM 314 NZ LYS A 40 16.123 6.340 6.403 1.00 2.95 N ATOM 0 H LYS A 40 10.181 4.841 5.707 1.00 0.45 H new ATOM 0 HA LYS A 40 9.746 7.503 6.598 1.00 0.49 H new ATOM 0 HB2 LYS A 40 12.194 7.695 6.315 1.00 0.62 H new ATOM 0 HB3 LYS A 40 11.747 6.241 7.184 1.00 0.62 H new ATOM 0 HG2 LYS A 40 11.940 4.982 4.976 1.00 1.06 H new ATOM 0 HG3 LYS A 40 12.614 6.444 4.282 1.00 1.06 H new ATOM 0 HD2 LYS A 40 13.761 4.966 6.683 1.00 1.58 H new ATOM 0 HD3 LYS A 40 14.357 4.827 5.041 1.00 1.58 H new ATOM 0 HE2 LYS A 40 14.821 7.295 5.036 1.00 2.12 H new ATOM 0 HE3 LYS A 40 14.302 7.373 6.708 1.00 2.12 H new ATOM 0 HZ1 LYS A 40 16.696 7.197 6.541 1.00 2.95 H new ATOM 0 HZ2 LYS A 40 16.064 5.815 7.299 1.00 2.95 H new ATOM 0 HZ3 LYS A 40 16.567 5.740 5.679 1.00 2.95 H new ATOM 328 N MET A 41 10.141 7.062 3.385 1.00 0.39 N ATOM 329 CA MET A 41 10.076 7.724 2.087 1.00 0.41 C ATOM 330 C MET A 41 8.694 8.330 1.854 1.00 0.42 C ATOM 331 O MET A 41 8.567 9.441 1.342 1.00 0.52 O ATOM 332 CB MET A 41 10.423 6.739 0.968 1.00 0.48 C ATOM 333 CG MET A 41 10.362 7.349 -0.424 1.00 0.69 C ATOM 334 SD MET A 41 11.346 8.857 -0.571 1.00 1.10 S ATOM 335 CE MET A 41 12.988 8.238 -0.229 1.00 1.55 C ATOM 0 H MET A 41 10.178 6.044 3.337 1.00 0.39 H new ATOM 0 HA MET A 41 10.807 8.532 2.080 1.00 0.41 H new ATOM 0 HB2 MET A 41 11.425 6.346 1.139 1.00 0.48 H new ATOM 0 HB3 MET A 41 9.737 5.893 1.015 1.00 0.48 H new ATOM 0 HG2 MET A 41 10.715 6.618 -1.152 1.00 0.69 H new ATOM 0 HG3 MET A 41 9.324 7.572 -0.673 1.00 0.69 H new ATOM 0 HE1 MET A 41 13.713 9.042 -0.353 1.00 1.55 H new ATOM 0 HE2 MET A 41 13.031 7.866 0.795 1.00 1.55 H new ATOM 0 HE3 MET A 41 13.223 7.428 -0.920 1.00 1.55 H new ATOM 345 N ALA A 42 7.662 7.602 2.245 1.00 0.40 N ATOM 346 CA ALA A 42 6.297 8.079 2.100 1.00 0.49 C ATOM 347 C ALA A 42 5.983 9.140 3.149 1.00 0.51 C ATOM 348 O ALA A 42 5.205 10.058 2.902 1.00 0.59 O ATOM 349 CB ALA A 42 5.329 6.915 2.209 1.00 0.58 C ATOM 0 H ALA A 42 7.744 6.677 2.666 1.00 0.40 H new ATOM 0 HA ALA A 42 6.188 8.536 1.116 1.00 0.49 H new ATOM 0 HB1 ALA A 42 4.308 7.280 2.099 1.00 0.58 H new ATOM 0 HB2 ALA A 42 5.542 6.190 1.423 1.00 0.58 H new ATOM 0 HB3 ALA A 42 5.441 6.438 3.183 1.00 0.58 H new ATOM 355 N GLU A 43 6.607 9.018 4.313 1.00 0.50 N ATOM 356 CA GLU A 43 6.385 9.957 5.403 1.00 0.60 C ATOM 357 C GLU A 43 6.833 11.360 5.003 1.00 0.62 C ATOM 358 O GLU A 43 6.090 12.329 5.162 1.00 0.73 O ATOM 359 CB GLU A 43 7.135 9.499 6.657 1.00 0.67 C ATOM 360 CG GLU A 43 6.796 10.304 7.902 1.00 0.97 C ATOM 361 CD GLU A 43 5.325 10.235 8.253 1.00 1.62 C ATOM 362 OE1 GLU A 43 4.601 11.221 8.007 1.00 2.16 O ATOM 363 OE2 GLU A 43 4.881 9.194 8.774 1.00 2.38 O ATOM 0 H GLU A 43 7.273 8.275 4.526 1.00 0.50 H new ATOM 0 HA GLU A 43 5.318 9.985 5.622 1.00 0.60 H new ATOM 0 HB2 GLU A 43 6.908 8.449 6.842 1.00 0.67 H new ATOM 0 HB3 GLU A 43 8.207 9.566 6.473 1.00 0.67 H new ATOM 0 HG2 GLU A 43 7.384 9.934 8.742 1.00 0.97 H new ATOM 0 HG3 GLU A 43 7.081 11.345 7.747 1.00 0.97 H new ATOM 370 N LYS A 44 8.038 11.455 4.450 1.00 0.58 N ATOM 371 CA LYS A 44 8.605 12.744 4.065 1.00 0.66 C ATOM 372 C LYS A 44 7.864 13.341 2.870 1.00 0.66 C ATOM 373 O LYS A 44 7.929 14.545 2.626 1.00 0.70 O ATOM 374 CB LYS A 44 10.096 12.602 3.744 1.00 0.76 C ATOM 375 CG LYS A 44 10.399 11.638 2.607 1.00 1.29 C ATOM 376 CD LYS A 44 11.866 11.684 2.207 1.00 1.69 C ATOM 377 CE LYS A 44 12.781 11.296 3.358 1.00 2.09 C ATOM 378 NZ LYS A 44 14.215 11.480 3.008 1.00 2.20 N ATOM 0 H LYS A 44 8.641 10.655 4.258 1.00 0.58 H new ATOM 0 HA LYS A 44 8.489 13.423 4.910 1.00 0.66 H new ATOM 0 HB2 LYS A 44 10.497 13.583 3.490 1.00 0.76 H new ATOM 0 HB3 LYS A 44 10.619 12.266 4.640 1.00 0.76 H new ATOM 0 HG2 LYS A 44 10.136 10.624 2.909 1.00 1.29 H new ATOM 0 HG3 LYS A 44 9.779 11.885 1.745 1.00 1.29 H new ATOM 0 HD2 LYS A 44 12.034 11.010 1.367 1.00 1.69 H new ATOM 0 HD3 LYS A 44 12.118 12.688 1.866 1.00 1.69 H new ATOM 0 HE2 LYS A 44 12.540 11.899 4.233 1.00 2.09 H new ATOM 0 HE3 LYS A 44 12.603 10.255 3.629 1.00 2.09 H new ATOM 0 HZ1 LYS A 44 14.808 11.205 3.817 1.00 2.20 H new ATOM 0 HZ2 LYS A 44 14.451 10.885 2.188 1.00 2.20 H new ATOM 0 HZ3 LYS A 44 14.390 12.478 2.774 1.00 2.20 H new ATOM 392 N ALA A 45 7.155 12.499 2.133 1.00 0.67 N ATOM 393 CA ALA A 45 6.392 12.954 0.980 1.00 0.74 C ATOM 394 C ALA A 45 4.944 13.245 1.365 1.00 0.73 C ATOM 395 O ALA A 45 4.091 13.461 0.503 1.00 0.81 O ATOM 396 CB ALA A 45 6.454 11.923 -0.136 1.00 0.82 C ATOM 0 H ALA A 45 7.092 11.497 2.313 1.00 0.67 H new ATOM 0 HA ALA A 45 6.837 13.882 0.620 1.00 0.74 H new ATOM 0 HB1 ALA A 45 5.879 12.278 -0.991 1.00 0.82 H new ATOM 0 HB2 ALA A 45 7.491 11.771 -0.434 1.00 0.82 H new ATOM 0 HB3 ALA A 45 6.036 10.980 0.216 1.00 0.82 H new ATOM 402 N ASN A 46 4.687 13.247 2.674 1.00 0.69 N ATOM 403 CA ASN A 46 3.358 13.518 3.228 1.00 0.72 C ATOM 404 C ASN A 46 2.342 12.494 2.723 1.00 0.67 C ATOM 405 O ASN A 46 1.245 12.840 2.277 1.00 0.84 O ATOM 406 CB ASN A 46 2.905 14.949 2.893 1.00 0.87 C ATOM 407 CG ASN A 46 1.674 15.372 3.678 1.00 1.46 C ATOM 408 OD1 ASN A 46 1.443 14.909 4.794 1.00 2.13 O ATOM 409 ND2 ASN A 46 0.877 16.258 3.100 1.00 2.13 N ATOM 0 H ASN A 46 5.396 13.060 3.383 1.00 0.69 H new ATOM 0 HA ASN A 46 3.419 13.430 4.313 1.00 0.72 H new ATOM 0 HB2 ASN A 46 3.720 15.642 3.101 1.00 0.87 H new ATOM 0 HB3 ASN A 46 2.692 15.018 1.826 1.00 0.87 H new ATOM 0 HD21 ASN A 46 0.038 16.580 3.582 1.00 2.13 H new ATOM 0 HD22 ASN A 46 1.103 16.619 2.173 1.00 2.13 H new ATOM 416 N LEU A 47 2.729 11.230 2.773 1.00 0.51 N ATOM 417 CA LEU A 47 1.850 10.138 2.387 1.00 0.51 C ATOM 418 C LEU A 47 1.559 9.268 3.604 1.00 0.46 C ATOM 419 O LEU A 47 2.136 9.482 4.677 1.00 0.56 O ATOM 420 CB LEU A 47 2.495 9.299 1.281 1.00 0.58 C ATOM 421 CG LEU A 47 3.045 10.091 0.091 1.00 0.69 C ATOM 422 CD1 LEU A 47 3.669 9.160 -0.930 1.00 1.00 C ATOM 423 CD2 LEU A 47 1.954 10.931 -0.553 1.00 1.18 C ATOM 0 H LEU A 47 3.655 10.933 3.080 1.00 0.51 H new ATOM 0 HA LEU A 47 0.916 10.550 2.005 1.00 0.51 H new ATOM 0 HB2 LEU A 47 3.308 8.719 1.716 1.00 0.58 H new ATOM 0 HB3 LEU A 47 1.757 8.587 0.912 1.00 0.58 H new ATOM 0 HG LEU A 47 3.818 10.763 0.463 1.00 0.69 H new ATOM 0 HD11 LEU A 47 4.053 9.743 -1.767 1.00 1.00 H new ATOM 0 HD12 LEU A 47 4.487 8.607 -0.467 1.00 1.00 H new ATOM 0 HD13 LEU A 47 2.916 8.459 -1.291 1.00 1.00 H new ATOM 0 HD21 LEU A 47 2.370 11.484 -1.395 1.00 1.18 H new ATOM 0 HD22 LEU A 47 1.154 10.280 -0.906 1.00 1.18 H new ATOM 0 HD23 LEU A 47 1.555 11.632 0.180 1.00 1.18 H new ATOM 435 N TYR A 48 0.670 8.295 3.445 1.00 0.49 N ATOM 436 CA TYR A 48 0.262 7.450 4.560 1.00 0.54 C ATOM 437 C TYR A 48 0.280 5.981 4.154 1.00 0.46 C ATOM 438 O TYR A 48 -0.048 5.642 3.015 1.00 0.58 O ATOM 439 CB TYR A 48 -1.142 7.844 5.039 1.00 0.64 C ATOM 440 CG TYR A 48 -1.296 9.324 5.316 1.00 0.77 C ATOM 441 CD1 TYR A 48 -1.845 10.171 4.360 1.00 1.51 C ATOM 442 CD2 TYR A 48 -0.885 9.876 6.522 1.00 1.31 C ATOM 443 CE1 TYR A 48 -1.981 11.524 4.600 1.00 1.61 C ATOM 444 CE2 TYR A 48 -1.019 11.229 6.769 1.00 1.43 C ATOM 445 CZ TYR A 48 -1.568 12.048 5.804 1.00 1.09 C ATOM 446 OH TYR A 48 -1.706 13.398 6.045 1.00 1.28 O ATOM 0 H TYR A 48 0.219 8.072 2.558 1.00 0.49 H new ATOM 0 HA TYR A 48 0.969 7.594 5.377 1.00 0.54 H new ATOM 0 HB2 TYR A 48 -1.871 7.547 4.285 1.00 0.64 H new ATOM 0 HB3 TYR A 48 -1.377 7.287 5.946 1.00 0.64 H new ATOM 0 HD1 TYR A 48 -2.170 9.764 3.414 1.00 1.51 H new ATOM 0 HD2 TYR A 48 -0.454 9.238 7.279 1.00 1.31 H new ATOM 0 HE1 TYR A 48 -2.409 12.168 3.846 1.00 1.61 H new ATOM 0 HE2 TYR A 48 -0.696 11.643 7.713 1.00 1.43 H new ATOM 0 HH TYR A 48 -1.368 13.607 6.941 1.00 1.28 H new ATOM 456 N LEU A 49 0.677 5.119 5.080 1.00 0.46 N ATOM 457 CA LEU A 49 0.702 3.682 4.838 1.00 0.46 C ATOM 458 C LEU A 49 -0.273 2.974 5.754 1.00 0.50 C ATOM 459 O LEU A 49 -0.586 3.455 6.843 1.00 0.61 O ATOM 460 CB LEU A 49 2.085 3.072 5.077 1.00 0.66 C ATOM 461 CG LEU A 49 3.250 3.690 4.313 1.00 0.81 C ATOM 462 CD1 LEU A 49 3.864 4.820 5.120 1.00 1.76 C ATOM 463 CD2 LEU A 49 4.287 2.625 3.995 1.00 1.35 C ATOM 0 H LEU A 49 0.988 5.392 6.012 1.00 0.46 H new ATOM 0 HA LEU A 49 0.428 3.547 3.792 1.00 0.46 H new ATOM 0 HB2 LEU A 49 2.305 3.136 6.143 1.00 0.66 H new ATOM 0 HB3 LEU A 49 2.037 2.013 4.825 1.00 0.66 H new ATOM 0 HG LEU A 49 2.882 4.103 3.374 1.00 0.81 H new ATOM 0 HD11 LEU A 49 4.695 5.254 4.564 1.00 1.76 H new ATOM 0 HD12 LEU A 49 3.111 5.586 5.304 1.00 1.76 H new ATOM 0 HD13 LEU A 49 4.227 4.432 6.072 1.00 1.76 H new ATOM 0 HD21 LEU A 49 5.116 3.076 3.449 1.00 1.35 H new ATOM 0 HD22 LEU A 49 4.658 2.190 4.923 1.00 1.35 H new ATOM 0 HD23 LEU A 49 3.832 1.845 3.385 1.00 1.35 H new ATOM 475 N LEU A 50 -0.747 1.835 5.297 1.00 0.52 N ATOM 476 CA LEU A 50 -1.568 0.957 6.105 1.00 0.63 C ATOM 477 C LEU A 50 -1.202 -0.490 5.830 1.00 0.69 C ATOM 478 O LEU A 50 -0.868 -0.854 4.700 1.00 0.69 O ATOM 479 CB LEU A 50 -3.052 1.179 5.817 1.00 0.77 C ATOM 480 CG LEU A 50 -3.642 2.472 6.372 1.00 0.81 C ATOM 481 CD1 LEU A 50 -5.051 2.670 5.846 1.00 1.24 C ATOM 482 CD2 LEU A 50 -3.640 2.449 7.893 1.00 1.48 C ATOM 0 H LEU A 50 -0.574 1.490 4.353 1.00 0.52 H new ATOM 0 HA LEU A 50 -1.383 1.186 7.155 1.00 0.63 H new ATOM 0 HB2 LEU A 50 -3.201 1.166 4.737 1.00 0.77 H new ATOM 0 HB3 LEU A 50 -3.613 0.339 6.226 1.00 0.77 H new ATOM 0 HG LEU A 50 -3.025 3.307 6.042 1.00 0.81 H new ATOM 0 HD11 LEU A 50 -5.463 3.596 6.248 1.00 1.24 H new ATOM 0 HD12 LEU A 50 -5.029 2.726 4.758 1.00 1.24 H new ATOM 0 HD13 LEU A 50 -5.675 1.831 6.154 1.00 1.24 H new ATOM 0 HD21 LEU A 50 -4.064 3.379 8.272 1.00 1.48 H new ATOM 0 HD22 LEU A 50 -4.237 1.608 8.245 1.00 1.48 H new ATOM 0 HD23 LEU A 50 -2.617 2.344 8.254 1.00 1.48 H new ATOM 494 N THR A 51 -1.248 -1.302 6.865 1.00 0.85 N ATOM 495 CA THR A 51 -1.084 -2.733 6.709 1.00 1.00 C ATOM 496 C THR A 51 -2.451 -3.333 6.411 1.00 1.38 C ATOM 497 O THR A 51 -3.470 -2.829 6.893 1.00 2.04 O ATOM 498 CB THR A 51 -0.492 -3.378 7.981 1.00 1.42 C ATOM 499 OG1 THR A 51 0.577 -2.564 8.486 1.00 1.86 O ATOM 500 CG2 THR A 51 0.036 -4.775 7.689 1.00 2.07 C ATOM 0 H THR A 51 -1.398 -0.995 7.826 1.00 0.85 H new ATOM 0 HA THR A 51 -0.388 -2.928 5.893 1.00 1.00 H new ATOM 0 HB THR A 51 -1.285 -3.453 8.725 1.00 1.42 H new ATOM 0 HG1 THR A 51 0.948 -2.976 9.294 1.00 1.86 H new ATOM 0 HG21 THR A 51 0.447 -5.207 8.601 1.00 2.07 H new ATOM 0 HG22 THR A 51 -0.777 -5.403 7.325 1.00 2.07 H new ATOM 0 HG23 THR A 51 0.817 -4.718 6.931 1.00 2.07 H new ATOM 508 N LEU A 52 -2.485 -4.404 5.640 1.00 1.17 N ATOM 509 CA LEU A 52 -3.747 -4.894 5.119 1.00 1.66 C ATOM 510 C LEU A 52 -4.356 -5.898 6.082 1.00 1.10 C ATOM 511 O LEU A 52 -3.877 -7.025 6.221 1.00 1.25 O ATOM 512 CB LEU A 52 -3.558 -5.525 3.730 1.00 2.63 C ATOM 513 CG LEU A 52 -3.083 -4.567 2.617 1.00 2.95 C ATOM 514 CD1 LEU A 52 -1.634 -4.133 2.812 1.00 3.41 C ATOM 515 CD2 LEU A 52 -3.253 -5.211 1.252 1.00 3.43 C ATOM 0 H LEU A 52 -1.665 -4.945 5.364 1.00 1.17 H new ATOM 0 HA LEU A 52 -4.428 -4.049 5.016 1.00 1.66 H new ATOM 0 HB2 LEU A 52 -2.837 -6.338 3.816 1.00 2.63 H new ATOM 0 HB3 LEU A 52 -4.504 -5.969 3.422 1.00 2.63 H new ATOM 0 HG LEU A 52 -3.706 -3.674 2.675 1.00 2.95 H new ATOM 0 HD11 LEU A 52 -1.344 -3.460 2.005 1.00 3.41 H new ATOM 0 HD12 LEU A 52 -1.534 -3.618 3.768 1.00 3.41 H new ATOM 0 HD13 LEU A 52 -0.987 -5.010 2.803 1.00 3.41 H new ATOM 0 HD21 LEU A 52 -2.913 -4.521 0.479 1.00 3.43 H new ATOM 0 HD22 LEU A 52 -2.664 -6.127 1.206 1.00 3.43 H new ATOM 0 HD23 LEU A 52 -4.305 -5.448 1.090 1.00 3.43 H new ATOM 527 N GLU A 53 -5.412 -5.451 6.752 1.00 1.35 N ATOM 528 CA GLU A 53 -6.112 -6.246 7.752 1.00 1.60 C ATOM 529 C GLU A 53 -7.594 -5.891 7.714 1.00 1.84 C ATOM 530 O GLU A 53 -8.428 -6.668 7.252 1.00 2.34 O ATOM 531 CB GLU A 53 -5.566 -5.954 9.159 1.00 2.04 C ATOM 532 CG GLU A 53 -4.050 -5.962 9.261 1.00 2.24 C ATOM 533 CD GLU A 53 -3.562 -5.555 10.632 1.00 2.43 C ATOM 534 OE1 GLU A 53 -3.034 -6.421 11.361 1.00 2.97 O ATOM 535 OE2 GLU A 53 -3.711 -4.366 10.989 1.00 2.75 O ATOM 0 H GLU A 53 -5.808 -4.521 6.615 1.00 1.35 H new ATOM 0 HA GLU A 53 -5.963 -7.303 7.530 1.00 1.60 H new ATOM 0 HB2 GLU A 53 -5.934 -4.981 9.483 1.00 2.04 H new ATOM 0 HB3 GLU A 53 -5.968 -6.693 9.852 1.00 2.04 H new ATOM 0 HG2 GLU A 53 -3.678 -6.960 9.028 1.00 2.24 H new ATOM 0 HG3 GLU A 53 -3.635 -5.285 8.515 1.00 2.24 H new ATOM 542 N THR A 54 -7.900 -4.692 8.189 1.00 1.76 N ATOM 543 CA THR A 54 -9.252 -4.176 8.169 1.00 1.96 C ATOM 544 C THR A 54 -9.389 -3.099 7.095 1.00 1.44 C ATOM 545 O THR A 54 -8.866 -1.989 7.231 1.00 1.41 O ATOM 546 CB THR A 54 -9.628 -3.601 9.546 1.00 2.58 C ATOM 547 OG1 THR A 54 -8.517 -2.875 10.093 1.00 2.85 O ATOM 548 CG2 THR A 54 -10.035 -4.711 10.504 1.00 3.30 C ATOM 0 H THR A 54 -7.216 -4.054 8.597 1.00 1.76 H new ATOM 0 HA THR A 54 -9.932 -4.995 7.936 1.00 1.96 H new ATOM 0 HB THR A 54 -10.475 -2.927 9.415 1.00 2.58 H new ATOM 0 HG1 THR A 54 -8.764 -2.510 10.969 1.00 2.85 H new ATOM 0 HG21 THR A 54 -10.296 -4.280 11.470 1.00 3.30 H new ATOM 0 HG22 THR A 54 -10.896 -5.243 10.099 1.00 3.30 H new ATOM 0 HG23 THR A 54 -9.205 -5.406 10.629 1.00 3.30 H new ATOM 556 N ASP A 55 -10.105 -3.444 6.032 1.00 1.58 N ATOM 557 CA ASP A 55 -10.213 -2.592 4.853 1.00 1.57 C ATOM 558 C ASP A 55 -11.071 -1.373 5.148 1.00 1.40 C ATOM 559 O ASP A 55 -10.613 -0.235 5.068 1.00 1.25 O ATOM 560 CB ASP A 55 -10.837 -3.361 3.680 1.00 2.38 C ATOM 561 CG ASP A 55 -10.333 -4.784 3.561 1.00 3.04 C ATOM 562 OD1 ASP A 55 -10.804 -5.647 4.333 1.00 3.66 O ATOM 563 OD2 ASP A 55 -9.492 -5.063 2.690 1.00 3.51 O ATOM 0 H ASP A 55 -10.625 -4.318 5.962 1.00 1.58 H new ATOM 0 HA ASP A 55 -9.205 -2.274 4.585 1.00 1.57 H new ATOM 0 HB2 ASP A 55 -11.920 -3.375 3.799 1.00 2.38 H new ATOM 0 HB3 ASP A 55 -10.625 -2.829 2.752 1.00 2.38 H new ATOM 568 N ASP A 56 -12.322 -1.634 5.497 1.00 1.62 N ATOM 569 CA ASP A 56 -13.303 -0.585 5.753 1.00 1.72 C ATOM 570 C ASP A 56 -12.824 0.371 6.835 1.00 1.47 C ATOM 571 O ASP A 56 -12.886 1.590 6.680 1.00 1.48 O ATOM 572 CB ASP A 56 -14.627 -1.208 6.196 1.00 2.15 C ATOM 573 CG ASP A 56 -15.317 -2.001 5.107 1.00 2.43 C ATOM 574 OD1 ASP A 56 -14.814 -3.082 4.741 1.00 2.98 O ATOM 575 OD2 ASP A 56 -16.388 -1.566 4.637 1.00 2.88 O ATOM 0 H ASP A 56 -12.688 -2.579 5.611 1.00 1.62 H new ATOM 0 HA ASP A 56 -13.439 -0.026 4.827 1.00 1.72 H new ATOM 0 HB2 ASP A 56 -14.444 -1.861 7.049 1.00 2.15 H new ATOM 0 HB3 ASP A 56 -15.295 -0.417 6.537 1.00 2.15 H new ATOM 580 N LYS A 57 -12.323 -0.199 7.918 1.00 1.39 N ATOM 581 CA LYS A 57 -11.985 0.569 9.109 1.00 1.42 C ATOM 582 C LYS A 57 -10.811 1.514 8.864 1.00 1.20 C ATOM 583 O LYS A 57 -10.963 2.732 8.948 1.00 1.27 O ATOM 584 CB LYS A 57 -11.663 -0.358 10.289 1.00 1.57 C ATOM 585 CG LYS A 57 -12.862 -1.116 10.849 1.00 1.98 C ATOM 586 CD LYS A 57 -13.223 -2.335 10.010 1.00 2.71 C ATOM 587 CE LYS A 57 -14.441 -3.057 10.569 1.00 3.40 C ATOM 588 NZ LYS A 57 -15.662 -2.210 10.544 1.00 4.03 N ATOM 0 H LYS A 57 -12.139 -1.199 7.999 1.00 1.39 H new ATOM 0 HA LYS A 57 -12.861 1.170 9.354 1.00 1.42 H new ATOM 0 HB2 LYS A 57 -10.910 -1.079 9.972 1.00 1.57 H new ATOM 0 HB3 LYS A 57 -11.219 0.235 11.089 1.00 1.57 H new ATOM 0 HG2 LYS A 57 -12.644 -1.432 11.869 1.00 1.98 H new ATOM 0 HG3 LYS A 57 -13.720 -0.446 10.899 1.00 1.98 H new ATOM 0 HD2 LYS A 57 -13.421 -2.026 8.984 1.00 2.71 H new ATOM 0 HD3 LYS A 57 -12.376 -3.020 9.978 1.00 2.71 H new ATOM 0 HE2 LYS A 57 -14.619 -3.964 9.991 1.00 3.40 H new ATOM 0 HE3 LYS A 57 -14.238 -3.367 11.594 1.00 3.40 H new ATOM 0 HZ1 LYS A 57 -16.499 -2.802 10.722 1.00 4.03 H new ATOM 0 HZ2 LYS A 57 -15.592 -1.478 11.280 1.00 4.03 H new ATOM 0 HZ3 LYS A 57 -15.751 -1.757 9.612 1.00 4.03 H new ATOM 602 N LYS A 58 -9.652 0.956 8.557 1.00 1.07 N ATOM 603 CA LYS A 58 -8.433 1.751 8.476 1.00 1.04 C ATOM 604 C LYS A 58 -8.325 2.507 7.158 1.00 0.88 C ATOM 605 O LYS A 58 -8.086 3.716 7.148 1.00 0.87 O ATOM 606 CB LYS A 58 -7.204 0.860 8.673 1.00 1.18 C ATOM 607 CG LYS A 58 -7.091 0.269 10.071 1.00 1.64 C ATOM 608 CD LYS A 58 -7.020 1.350 11.143 1.00 2.25 C ATOM 609 CE LYS A 58 -5.832 2.277 10.931 1.00 2.61 C ATOM 610 NZ LYS A 58 -5.766 3.348 11.957 1.00 2.99 N ATOM 0 H LYS A 58 -9.527 -0.037 8.361 1.00 1.07 H new ATOM 0 HA LYS A 58 -8.477 2.491 9.275 1.00 1.04 H new ATOM 0 HB2 LYS A 58 -7.236 0.048 7.947 1.00 1.18 H new ATOM 0 HB3 LYS A 58 -6.307 1.442 8.461 1.00 1.18 H new ATOM 0 HG2 LYS A 58 -7.949 -0.376 10.263 1.00 1.64 H new ATOM 0 HG3 LYS A 58 -6.201 -0.358 10.129 1.00 1.64 H new ATOM 0 HD2 LYS A 58 -7.942 1.932 11.134 1.00 2.25 H new ATOM 0 HD3 LYS A 58 -6.947 0.884 12.126 1.00 2.25 H new ATOM 0 HE2 LYS A 58 -4.911 1.695 10.956 1.00 2.61 H new ATOM 0 HE3 LYS A 58 -5.898 2.728 9.941 1.00 2.61 H new ATOM 0 HZ1 LYS A 58 -4.942 3.955 11.773 1.00 2.99 H new ATOM 0 HZ2 LYS A 58 -6.633 3.921 11.917 1.00 2.99 H new ATOM 0 HZ3 LYS A 58 -5.677 2.920 12.901 1.00 2.99 H new ATOM 624 N ILE A 59 -8.513 1.798 6.053 1.00 0.83 N ATOM 625 CA ILE A 59 -8.292 2.372 4.731 1.00 0.80 C ATOM 626 C ILE A 59 -9.215 3.560 4.468 1.00 0.74 C ATOM 627 O ILE A 59 -8.755 4.629 4.060 1.00 0.78 O ATOM 628 CB ILE A 59 -8.480 1.312 3.625 1.00 0.90 C ATOM 629 CG1 ILE A 59 -7.431 0.206 3.768 1.00 1.12 C ATOM 630 CG2 ILE A 59 -8.397 1.949 2.242 1.00 0.96 C ATOM 631 CD1 ILE A 59 -7.711 -1.002 2.900 1.00 1.33 C ATOM 0 H ILE A 59 -8.818 0.825 6.045 1.00 0.83 H new ATOM 0 HA ILE A 59 -7.262 2.727 4.710 1.00 0.80 H new ATOM 0 HB ILE A 59 -9.471 0.872 3.737 1.00 0.90 H new ATOM 0 HG12 ILE A 59 -6.451 0.609 3.512 1.00 1.12 H new ATOM 0 HG13 ILE A 59 -7.384 -0.108 4.811 1.00 1.12 H new ATOM 0 HG21 ILE A 59 -8.532 1.182 1.479 1.00 0.96 H new ATOM 0 HG22 ILE A 59 -9.178 2.703 2.141 1.00 0.96 H new ATOM 0 HG23 ILE A 59 -7.421 2.418 2.115 1.00 0.96 H new ATOM 0 HD11 ILE A 59 -6.930 -1.747 3.050 1.00 1.33 H new ATOM 0 HD12 ILE A 59 -8.676 -1.429 3.171 1.00 1.33 H new ATOM 0 HD13 ILE A 59 -7.729 -0.701 1.853 1.00 1.33 H new ATOM 643 N GLU A 60 -10.507 3.387 4.724 1.00 0.77 N ATOM 644 CA GLU A 60 -11.468 4.437 4.420 1.00 0.87 C ATOM 645 C GLU A 60 -11.268 5.636 5.342 1.00 0.85 C ATOM 646 O GLU A 60 -11.433 6.780 4.923 1.00 0.94 O ATOM 647 CB GLU A 60 -12.902 3.926 4.538 1.00 1.04 C ATOM 648 CG GLU A 60 -13.924 4.889 3.957 1.00 1.32 C ATOM 649 CD GLU A 60 -15.332 4.608 4.428 1.00 1.47 C ATOM 650 OE1 GLU A 60 -15.938 3.624 3.959 1.00 1.96 O ATOM 651 OE2 GLU A 60 -15.842 5.384 5.262 1.00 2.01 O ATOM 0 H GLU A 60 -10.907 2.543 5.135 1.00 0.77 H new ATOM 0 HA GLU A 60 -11.297 4.750 3.390 1.00 0.87 H new ATOM 0 HB2 GLU A 60 -12.983 2.967 4.027 1.00 1.04 H new ATOM 0 HB3 GLU A 60 -13.134 3.749 5.588 1.00 1.04 H new ATOM 0 HG2 GLU A 60 -13.652 5.908 4.231 1.00 1.32 H new ATOM 0 HG3 GLU A 60 -13.892 4.832 2.869 1.00 1.32 H new ATOM 658 N ASP A 61 -10.888 5.366 6.587 1.00 0.82 N ATOM 659 CA ASP A 61 -10.723 6.416 7.591 1.00 0.88 C ATOM 660 C ASP A 61 -9.706 7.455 7.131 1.00 0.79 C ATOM 661 O ASP A 61 -9.970 8.660 7.172 1.00 0.83 O ATOM 662 CB ASP A 61 -10.286 5.810 8.926 1.00 0.99 C ATOM 663 CG ASP A 61 -10.187 6.841 10.031 1.00 1.55 C ATOM 664 OD1 ASP A 61 -9.067 7.314 10.315 1.00 2.27 O ATOM 665 OD2 ASP A 61 -11.234 7.180 10.626 1.00 2.05 O ATOM 0 H ASP A 61 -10.687 4.426 6.927 1.00 0.82 H new ATOM 0 HA ASP A 61 -11.685 6.912 7.723 1.00 0.88 H new ATOM 0 HB2 ASP A 61 -10.996 5.036 9.219 1.00 0.99 H new ATOM 0 HB3 ASP A 61 -9.319 5.324 8.800 1.00 0.99 H new ATOM 670 N ILE A 62 -8.555 6.983 6.672 1.00 0.72 N ATOM 671 CA ILE A 62 -7.512 7.873 6.185 1.00 0.69 C ATOM 672 C ILE A 62 -7.913 8.495 4.849 1.00 0.68 C ATOM 673 O ILE A 62 -7.670 9.677 4.610 1.00 0.73 O ATOM 674 CB ILE A 62 -6.157 7.141 6.041 1.00 0.73 C ATOM 675 CG1 ILE A 62 -5.683 6.640 7.409 1.00 0.81 C ATOM 676 CG2 ILE A 62 -5.109 8.054 5.414 1.00 0.77 C ATOM 677 CD1 ILE A 62 -4.304 6.016 7.388 1.00 0.93 C ATOM 0 H ILE A 62 -8.321 5.991 6.627 1.00 0.72 H new ATOM 0 HA ILE A 62 -7.391 8.665 6.925 1.00 0.69 H new ATOM 0 HB ILE A 62 -6.296 6.285 5.381 1.00 0.73 H new ATOM 0 HG12 ILE A 62 -5.683 7.474 8.111 1.00 0.81 H new ATOM 0 HG13 ILE A 62 -6.397 5.907 7.784 1.00 0.81 H new ATOM 0 HG21 ILE A 62 -4.165 7.516 5.323 1.00 0.77 H new ATOM 0 HG22 ILE A 62 -5.444 8.368 4.425 1.00 0.77 H new ATOM 0 HG23 ILE A 62 -4.967 8.932 6.044 1.00 0.77 H new ATOM 0 HD11 ILE A 62 -4.039 5.686 8.392 1.00 0.93 H new ATOM 0 HD12 ILE A 62 -4.302 5.161 6.712 1.00 0.93 H new ATOM 0 HD13 ILE A 62 -3.577 6.752 7.044 1.00 0.93 H new ATOM 689 N LEU A 63 -8.566 7.713 3.997 1.00 0.68 N ATOM 690 CA LEU A 63 -8.990 8.204 2.682 1.00 0.76 C ATOM 691 C LEU A 63 -9.981 9.360 2.841 1.00 0.84 C ATOM 692 O LEU A 63 -9.938 10.341 2.094 1.00 0.94 O ATOM 693 CB LEU A 63 -9.607 7.075 1.833 1.00 0.85 C ATOM 694 CG LEU A 63 -10.407 7.546 0.612 1.00 1.23 C ATOM 695 CD1 LEU A 63 -9.479 8.085 -0.464 1.00 1.57 C ATOM 696 CD2 LEU A 63 -11.285 6.432 0.054 1.00 1.89 C ATOM 0 H LEU A 63 -8.814 6.742 4.187 1.00 0.68 H new ATOM 0 HA LEU A 63 -8.106 8.568 2.158 1.00 0.76 H new ATOM 0 HB2 LEU A 63 -8.807 6.418 1.493 1.00 0.85 H new ATOM 0 HB3 LEU A 63 -10.261 6.478 2.469 1.00 0.85 H new ATOM 0 HG LEU A 63 -11.063 8.352 0.940 1.00 1.23 H new ATOM 0 HD11 LEU A 63 -10.067 8.413 -1.321 1.00 1.57 H new ATOM 0 HD12 LEU A 63 -8.913 8.928 -0.068 1.00 1.57 H new ATOM 0 HD13 LEU A 63 -8.790 7.300 -0.776 1.00 1.57 H new ATOM 0 HD21 LEU A 63 -11.837 6.802 -0.810 1.00 1.89 H new ATOM 0 HD22 LEU A 63 -10.659 5.592 -0.248 1.00 1.89 H new ATOM 0 HD23 LEU A 63 -11.988 6.104 0.820 1.00 1.89 H new ATOM 708 N LYS A 64 -10.860 9.244 3.831 1.00 0.89 N ATOM 709 CA LYS A 64 -11.815 10.303 4.138 1.00 1.05 C ATOM 710 C LYS A 64 -11.098 11.542 4.666 1.00 1.03 C ATOM 711 O LYS A 64 -11.558 12.667 4.472 1.00 1.13 O ATOM 712 CB LYS A 64 -12.839 9.820 5.171 1.00 1.22 C ATOM 713 CG LYS A 64 -13.801 8.762 4.649 1.00 1.64 C ATOM 714 CD LYS A 64 -14.721 9.317 3.574 1.00 2.17 C ATOM 715 CE LYS A 64 -15.715 8.272 3.088 1.00 2.87 C ATOM 716 NZ LYS A 64 -16.587 7.770 4.186 1.00 3.41 N ATOM 0 H LYS A 64 -10.931 8.426 4.436 1.00 0.89 H new ATOM 0 HA LYS A 64 -12.335 10.564 3.216 1.00 1.05 H new ATOM 0 HB2 LYS A 64 -12.307 9.417 6.033 1.00 1.22 H new ATOM 0 HB3 LYS A 64 -13.414 10.676 5.523 1.00 1.22 H new ATOM 0 HG2 LYS A 64 -13.234 7.923 4.245 1.00 1.64 H new ATOM 0 HG3 LYS A 64 -14.398 8.375 5.474 1.00 1.64 H new ATOM 0 HD2 LYS A 64 -15.262 10.178 3.967 1.00 2.17 H new ATOM 0 HD3 LYS A 64 -14.125 9.671 2.733 1.00 2.17 H new ATOM 0 HE2 LYS A 64 -16.335 8.702 2.301 1.00 2.87 H new ATOM 0 HE3 LYS A 64 -15.173 7.436 2.646 1.00 2.87 H new ATOM 0 HZ1 LYS A 64 -17.426 7.309 3.780 1.00 3.41 H new ATOM 0 HZ2 LYS A 64 -16.059 7.084 4.762 1.00 3.41 H new ATOM 0 HZ3 LYS A 64 -16.886 8.567 4.784 1.00 3.41 H new ATOM 730 N SER A 65 -9.966 11.326 5.323 1.00 0.97 N ATOM 731 CA SER A 65 -9.205 12.422 5.916 1.00 1.06 C ATOM 732 C SER A 65 -8.523 13.259 4.837 1.00 1.03 C ATOM 733 O SER A 65 -8.437 14.482 4.952 1.00 1.13 O ATOM 734 CB SER A 65 -8.154 11.889 6.900 1.00 1.18 C ATOM 735 OG SER A 65 -7.828 12.864 7.876 1.00 1.65 O ATOM 0 H SER A 65 -9.553 10.403 5.460 1.00 0.97 H new ATOM 0 HA SER A 65 -9.907 13.054 6.459 1.00 1.06 H new ATOM 0 HB2 SER A 65 -8.532 10.992 7.390 1.00 1.18 H new ATOM 0 HB3 SER A 65 -7.255 11.600 6.356 1.00 1.18 H new ATOM 0 HG SER A 65 -7.158 12.500 8.491 1.00 1.65 H new ATOM 741 N LEU A 66 -8.049 12.594 3.785 1.00 0.97 N ATOM 742 CA LEU A 66 -7.341 13.281 2.708 1.00 1.05 C ATOM 743 C LEU A 66 -8.242 14.281 1.996 1.00 1.20 C ATOM 744 O LEU A 66 -7.822 15.401 1.710 1.00 1.55 O ATOM 745 CB LEU A 66 -6.791 12.277 1.690 1.00 1.00 C ATOM 746 CG LEU A 66 -5.366 11.763 1.941 1.00 1.09 C ATOM 747 CD1 LEU A 66 -4.365 12.905 1.907 1.00 1.72 C ATOM 748 CD2 LEU A 66 -5.280 11.016 3.259 1.00 1.38 C ATOM 0 H LEU A 66 -8.142 11.586 3.656 1.00 0.97 H new ATOM 0 HA LEU A 66 -6.512 13.823 3.164 1.00 1.05 H new ATOM 0 HB2 LEU A 66 -7.463 11.419 1.658 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -6.819 12.740 0.704 1.00 1.00 H new ATOM 0 HG LEU A 66 -5.117 11.066 1.141 1.00 1.09 H new ATOM 0 HD11 LEU A 66 -3.363 12.516 2.087 1.00 1.72 H new ATOM 0 HD12 LEU A 66 -4.397 13.388 0.930 1.00 1.72 H new ATOM 0 HD13 LEU A 66 -4.616 13.632 2.679 1.00 1.72 H new ATOM 0 HD21 LEU A 66 -4.260 10.663 3.411 1.00 1.38 H new ATOM 0 HD22 LEU A 66 -5.559 11.684 4.074 1.00 1.38 H new ATOM 0 HD23 LEU A 66 -5.960 10.164 3.239 1.00 1.38 H new ATOM 760 N GLY A 67 -9.484 13.889 1.740 1.00 1.07 N ATOM 761 CA GLY A 67 -10.412 14.767 1.046 1.00 1.26 C ATOM 762 C GLY A 67 -10.630 14.360 -0.404 1.00 1.22 C ATOM 763 O GLY A 67 -11.556 13.600 -0.697 1.00 1.28 O ATOM 0 H GLY A 67 -9.867 12.980 2.000 1.00 1.07 H new ATOM 0 HA2 GLY A 67 -11.369 14.764 1.568 1.00 1.26 H new ATOM 0 HA3 GLY A 67 -10.034 15.789 1.080 1.00 1.26 H new ATOM 767 N PRO A 68 -9.795 14.863 -1.338 1.00 1.24 N ATOM 768 CA PRO A 68 -9.891 14.544 -2.774 1.00 1.29 C ATOM 769 C PRO A 68 -9.809 13.044 -3.059 1.00 1.15 C ATOM 770 O PRO A 68 -9.418 12.257 -2.195 1.00 0.99 O ATOM 771 CB PRO A 68 -8.673 15.258 -3.386 1.00 1.41 C ATOM 772 CG PRO A 68 -7.780 15.567 -2.236 1.00 1.56 C ATOM 773 CD PRO A 68 -8.695 15.800 -1.074 1.00 1.35 C ATOM 0 HA PRO A 68 -10.850 14.861 -3.185 1.00 1.29 H new ATOM 0 HB2 PRO A 68 -8.170 14.623 -4.115 1.00 1.41 H new ATOM 0 HB3 PRO A 68 -8.971 16.167 -3.908 1.00 1.41 H new ATOM 0 HG2 PRO A 68 -7.095 14.743 -2.038 1.00 1.56 H new ATOM 0 HG3 PRO A 68 -7.169 16.447 -2.438 1.00 1.56 H new ATOM 0 HD2 PRO A 68 -8.204 15.591 -0.124 1.00 1.35 H new ATOM 0 HD3 PRO A 68 -9.043 16.832 -1.033 1.00 1.35 H new ATOM 781 N PRO A 69 -10.192 12.633 -4.284 1.00 1.30 N ATOM 782 CA PRO A 69 -10.106 11.235 -4.720 1.00 1.26 C ATOM 783 C PRO A 69 -8.664 10.734 -4.712 1.00 1.05 C ATOM 784 O PRO A 69 -7.892 11.003 -5.634 1.00 1.17 O ATOM 785 CB PRO A 69 -10.655 11.266 -6.167 1.00 1.53 C ATOM 786 CG PRO A 69 -10.539 12.691 -6.584 1.00 1.89 C ATOM 787 CD PRO A 69 -10.745 13.500 -5.338 1.00 1.58 C ATOM 0 HA PRO A 69 -10.659 10.564 -4.062 1.00 1.26 H new ATOM 0 HB2 PRO A 69 -10.079 10.613 -6.823 1.00 1.53 H new ATOM 0 HB3 PRO A 69 -11.690 10.925 -6.206 1.00 1.53 H new ATOM 0 HG2 PRO A 69 -9.562 12.891 -7.023 1.00 1.89 H new ATOM 0 HG3 PRO A 69 -11.285 12.939 -7.339 1.00 1.89 H new ATOM 0 HD2 PRO A 69 -10.225 14.457 -5.388 1.00 1.58 H new ATOM 0 HD3 PRO A 69 -11.799 13.719 -5.169 1.00 1.58 H new ATOM 795 N VAL A 70 -8.310 10.019 -3.659 1.00 0.85 N ATOM 796 CA VAL A 70 -6.967 9.489 -3.505 1.00 0.67 C ATOM 797 C VAL A 70 -6.847 8.141 -4.199 1.00 0.60 C ATOM 798 O VAL A 70 -7.817 7.384 -4.277 1.00 0.66 O ATOM 799 CB VAL A 70 -6.603 9.345 -2.011 1.00 0.62 C ATOM 800 CG1 VAL A 70 -5.177 8.852 -1.826 1.00 0.99 C ATOM 801 CG2 VAL A 70 -6.800 10.667 -1.292 1.00 1.08 C ATOM 0 H VAL A 70 -8.941 9.790 -2.891 1.00 0.85 H new ATOM 0 HA VAL A 70 -6.271 10.190 -3.967 1.00 0.67 H new ATOM 0 HB VAL A 70 -7.270 8.600 -1.578 1.00 0.62 H new ATOM 0 HG11 VAL A 70 -4.958 8.763 -0.762 1.00 0.99 H new ATOM 0 HG12 VAL A 70 -5.064 7.878 -2.302 1.00 0.99 H new ATOM 0 HG13 VAL A 70 -4.485 9.561 -2.281 1.00 0.99 H new ATOM 0 HG21 VAL A 70 -6.540 10.551 -0.240 1.00 1.08 H new ATOM 0 HG22 VAL A 70 -6.160 11.425 -1.743 1.00 1.08 H new ATOM 0 HG23 VAL A 70 -7.842 10.975 -1.376 1.00 1.08 H new ATOM 811 N LYS A 71 -5.661 7.848 -4.703 1.00 0.55 N ATOM 812 CA LYS A 71 -5.421 6.588 -5.386 1.00 0.54 C ATOM 813 C LYS A 71 -4.687 5.638 -4.449 1.00 0.43 C ATOM 814 O LYS A 71 -3.791 6.053 -3.709 1.00 0.41 O ATOM 815 CB LYS A 71 -4.623 6.809 -6.678 1.00 0.65 C ATOM 816 CG LYS A 71 -4.355 5.537 -7.462 1.00 1.27 C ATOM 817 CD LYS A 71 -3.561 5.808 -8.734 1.00 1.74 C ATOM 818 CE LYS A 71 -4.399 6.461 -9.832 1.00 2.14 C ATOM 819 NZ LYS A 71 -4.744 7.879 -9.536 1.00 2.53 N ATOM 0 H LYS A 71 -4.850 8.464 -4.653 1.00 0.55 H new ATOM 0 HA LYS A 71 -6.377 6.145 -5.664 1.00 0.54 H new ATOM 0 HB2 LYS A 71 -5.166 7.508 -7.314 1.00 0.65 H new ATOM 0 HB3 LYS A 71 -3.671 7.278 -6.429 1.00 0.65 H new ATOM 0 HG2 LYS A 71 -3.807 4.833 -6.835 1.00 1.27 H new ATOM 0 HG3 LYS A 71 -5.302 5.063 -7.720 1.00 1.27 H new ATOM 0 HD2 LYS A 71 -2.715 6.454 -8.497 1.00 1.74 H new ATOM 0 HD3 LYS A 71 -3.151 4.869 -9.107 1.00 1.74 H new ATOM 0 HE2 LYS A 71 -3.853 6.415 -10.774 1.00 2.14 H new ATOM 0 HE3 LYS A 71 -5.318 5.890 -9.968 1.00 2.14 H new ATOM 0 HZ1 LYS A 71 -4.622 8.452 -10.395 1.00 2.53 H new ATOM 0 HZ2 LYS A 71 -5.733 7.937 -9.218 1.00 2.53 H new ATOM 0 HZ3 LYS A 71 -4.118 8.240 -8.788 1.00 2.53 H new ATOM 833 N ILE A 72 -5.082 4.377 -4.464 1.00 0.45 N ATOM 834 CA ILE A 72 -4.529 3.402 -3.543 1.00 0.43 C ATOM 835 C ILE A 72 -3.419 2.592 -4.203 1.00 0.41 C ATOM 836 O ILE A 72 -3.647 1.876 -5.181 1.00 0.50 O ATOM 837 CB ILE A 72 -5.616 2.443 -3.025 1.00 0.54 C ATOM 838 CG1 ILE A 72 -6.820 3.226 -2.487 1.00 0.68 C ATOM 839 CG2 ILE A 72 -5.049 1.531 -1.947 1.00 0.58 C ATOM 840 CD1 ILE A 72 -6.487 4.163 -1.347 1.00 1.00 C ATOM 0 H ILE A 72 -5.784 4.005 -5.104 1.00 0.45 H new ATOM 0 HA ILE A 72 -4.115 3.957 -2.701 1.00 0.43 H new ATOM 0 HB ILE A 72 -5.955 1.827 -3.858 1.00 0.54 H new ATOM 0 HG12 ILE A 72 -7.258 3.803 -3.301 1.00 0.68 H new ATOM 0 HG13 ILE A 72 -7.580 2.519 -2.152 1.00 0.68 H new ATOM 0 HG21 ILE A 72 -5.830 0.859 -1.591 1.00 0.58 H new ATOM 0 HG22 ILE A 72 -4.228 0.946 -2.360 1.00 0.58 H new ATOM 0 HG23 ILE A 72 -4.683 2.134 -1.116 1.00 0.58 H new ATOM 0 HD11 ILE A 72 -7.391 4.679 -1.024 1.00 1.00 H new ATOM 0 HD12 ILE A 72 -6.078 3.591 -0.514 1.00 1.00 H new ATOM 0 HD13 ILE A 72 -5.752 4.895 -1.681 1.00 1.00 H new ATOM 852 N LEU A 73 -2.218 2.719 -3.664 1.00 0.37 N ATOM 853 CA LEU A 73 -1.077 1.961 -4.145 1.00 0.37 C ATOM 854 C LEU A 73 -0.883 0.739 -3.252 1.00 0.37 C ATOM 855 O LEU A 73 -0.429 0.857 -2.114 1.00 0.46 O ATOM 856 CB LEU A 73 0.184 2.844 -4.131 1.00 0.43 C ATOM 857 CG LEU A 73 1.305 2.464 -5.131 1.00 0.57 C ATOM 858 CD1 LEU A 73 2.533 3.354 -4.953 1.00 1.06 C ATOM 859 CD2 LEU A 73 1.717 1.005 -4.991 1.00 1.22 C ATOM 0 H LEU A 73 -2.008 3.345 -2.887 1.00 0.37 H new ATOM 0 HA LEU A 73 -1.255 1.635 -5.170 1.00 0.37 H new ATOM 0 HB2 LEU A 73 -0.117 3.872 -4.331 1.00 0.43 H new ATOM 0 HB3 LEU A 73 0.603 2.824 -3.125 1.00 0.43 H new ATOM 0 HG LEU A 73 0.894 2.616 -6.129 1.00 0.57 H new ATOM 0 HD11 LEU A 73 3.301 3.062 -5.669 1.00 1.06 H new ATOM 0 HD12 LEU A 73 2.256 4.394 -5.122 1.00 1.06 H new ATOM 0 HD13 LEU A 73 2.920 3.242 -3.940 1.00 1.06 H new ATOM 0 HD21 LEU A 73 2.505 0.779 -5.710 1.00 1.22 H new ATOM 0 HD22 LEU A 73 2.085 0.826 -3.981 1.00 1.22 H new ATOM 0 HD23 LEU A 73 0.856 0.364 -5.182 1.00 1.22 H new ATOM 871 N VAL A 74 -1.246 -0.425 -3.762 1.00 0.40 N ATOM 872 CA VAL A 74 -1.069 -1.661 -3.024 1.00 0.40 C ATOM 873 C VAL A 74 0.248 -2.308 -3.426 1.00 0.39 C ATOM 874 O VAL A 74 0.496 -2.554 -4.607 1.00 0.47 O ATOM 875 CB VAL A 74 -2.237 -2.642 -3.263 1.00 0.48 C ATOM 876 CG1 VAL A 74 -2.039 -3.928 -2.473 1.00 1.30 C ATOM 877 CG2 VAL A 74 -3.560 -1.990 -2.898 1.00 1.16 C ATOM 0 H VAL A 74 -1.665 -0.539 -4.685 1.00 0.40 H new ATOM 0 HA VAL A 74 -1.054 -1.422 -1.961 1.00 0.40 H new ATOM 0 HB VAL A 74 -2.255 -2.897 -4.323 1.00 0.48 H new ATOM 0 HG11 VAL A 74 -2.875 -4.602 -2.659 1.00 1.30 H new ATOM 0 HG12 VAL A 74 -1.111 -4.407 -2.785 1.00 1.30 H new ATOM 0 HG13 VAL A 74 -1.989 -3.697 -1.409 1.00 1.30 H new ATOM 0 HG21 VAL A 74 -4.373 -2.695 -3.072 1.00 1.16 H new ATOM 0 HG22 VAL A 74 -3.547 -1.704 -1.846 1.00 1.16 H new ATOM 0 HG23 VAL A 74 -3.710 -1.103 -3.513 1.00 1.16 H new ATOM 887 N LEU A 75 1.086 -2.580 -2.446 1.00 0.38 N ATOM 888 CA LEU A 75 2.424 -3.080 -2.712 1.00 0.38 C ATOM 889 C LEU A 75 2.667 -4.338 -1.889 1.00 0.35 C ATOM 890 O LEU A 75 2.801 -4.283 -0.666 1.00 0.43 O ATOM 891 CB LEU A 75 3.478 -2.007 -2.392 1.00 0.48 C ATOM 892 CG LEU A 75 4.875 -2.288 -2.935 1.00 0.80 C ATOM 893 CD1 LEU A 75 4.876 -2.187 -4.453 1.00 1.67 C ATOM 894 CD2 LEU A 75 5.885 -1.325 -2.330 1.00 1.65 C ATOM 0 H LEU A 75 0.866 -2.464 -1.457 1.00 0.38 H new ATOM 0 HA LEU A 75 2.510 -3.325 -3.771 1.00 0.38 H new ATOM 0 HB2 LEU A 75 3.135 -1.053 -2.792 1.00 0.48 H new ATOM 0 HB3 LEU A 75 3.542 -1.894 -1.310 1.00 0.48 H new ATOM 0 HG LEU A 75 5.163 -3.301 -2.655 1.00 0.80 H new ATOM 0 HD11 LEU A 75 5.878 -2.389 -4.830 1.00 1.67 H new ATOM 0 HD12 LEU A 75 4.179 -2.915 -4.867 1.00 1.67 H new ATOM 0 HD13 LEU A 75 4.572 -1.184 -4.751 1.00 1.67 H new ATOM 0 HD21 LEU A 75 6.877 -1.540 -2.729 1.00 1.65 H new ATOM 0 HD22 LEU A 75 5.607 -0.301 -2.581 1.00 1.65 H new ATOM 0 HD23 LEU A 75 5.896 -1.443 -1.246 1.00 1.65 H new ATOM 906 N LEU A 76 2.703 -5.472 -2.561 1.00 0.34 N ATOM 907 CA LEU A 76 2.780 -6.751 -1.881 1.00 0.42 C ATOM 908 C LEU A 76 4.093 -7.458 -2.176 1.00 0.41 C ATOM 909 O LEU A 76 4.594 -7.420 -3.299 1.00 0.48 O ATOM 910 CB LEU A 76 1.612 -7.644 -2.313 1.00 0.55 C ATOM 911 CG LEU A 76 0.213 -7.058 -2.087 1.00 1.09 C ATOM 912 CD1 LEU A 76 -0.843 -7.952 -2.709 1.00 1.52 C ATOM 913 CD2 LEU A 76 -0.065 -6.879 -0.605 1.00 1.76 C ATOM 0 H LEU A 76 2.680 -5.534 -3.579 1.00 0.34 H new ATOM 0 HA LEU A 76 2.725 -6.562 -0.809 1.00 0.42 H new ATOM 0 HB2 LEU A 76 1.724 -7.872 -3.373 1.00 0.55 H new ATOM 0 HB3 LEU A 76 1.682 -8.589 -1.775 1.00 0.55 H new ATOM 0 HG LEU A 76 0.175 -6.080 -2.567 1.00 1.09 H new ATOM 0 HD11 LEU A 76 -1.830 -7.522 -2.539 1.00 1.52 H new ATOM 0 HD12 LEU A 76 -0.663 -8.036 -3.781 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -0.796 -8.942 -2.254 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -1.063 -6.462 -0.470 1.00 1.76 H new ATOM 0 HD22 LEU A 76 -0.004 -7.845 -0.104 1.00 1.76 H new ATOM 0 HD23 LEU A 76 0.673 -6.201 -0.176 1.00 1.76 H new ATOM 925 N GLU A 77 4.649 -8.086 -1.156 1.00 0.46 N ATOM 926 CA GLU A 77 5.782 -8.977 -1.328 1.00 0.49 C ATOM 927 C GLU A 77 5.247 -10.377 -1.580 1.00 0.49 C ATOM 928 O GLU A 77 4.529 -10.921 -0.740 1.00 0.59 O ATOM 929 CB GLU A 77 6.662 -8.952 -0.077 1.00 0.61 C ATOM 930 CG GLU A 77 7.764 -9.998 -0.062 1.00 0.63 C ATOM 931 CD GLU A 77 8.536 -10.008 1.244 1.00 1.04 C ATOM 932 OE1 GLU A 77 9.763 -9.782 1.217 1.00 1.71 O ATOM 933 OE2 GLU A 77 7.923 -10.253 2.305 1.00 1.74 O ATOM 0 H GLU A 77 4.331 -7.994 -0.191 1.00 0.46 H new ATOM 0 HA GLU A 77 6.393 -8.658 -2.173 1.00 0.49 H new ATOM 0 HB2 GLU A 77 7.114 -7.964 0.014 1.00 0.61 H new ATOM 0 HB3 GLU A 77 6.030 -9.095 0.799 1.00 0.61 H new ATOM 0 HG2 GLU A 77 7.328 -10.983 -0.231 1.00 0.63 H new ATOM 0 HG3 GLU A 77 8.452 -9.808 -0.886 1.00 0.63 H new ATOM 940 N ASP A 78 5.569 -10.952 -2.737 1.00 0.54 N ATOM 941 CA ASP A 78 4.994 -12.238 -3.128 1.00 0.61 C ATOM 942 C ASP A 78 5.474 -13.357 -2.208 1.00 0.63 C ATOM 943 O ASP A 78 6.497 -14.000 -2.455 1.00 0.72 O ATOM 944 CB ASP A 78 5.328 -12.568 -4.583 1.00 0.77 C ATOM 945 CG ASP A 78 4.636 -13.832 -5.061 1.00 1.06 C ATOM 946 OD1 ASP A 78 5.301 -14.883 -5.166 1.00 1.59 O ATOM 947 OD2 ASP A 78 3.418 -13.779 -5.332 1.00 1.85 O ATOM 0 H ASP A 78 6.219 -10.553 -3.415 1.00 0.54 H new ATOM 0 HA ASP A 78 3.911 -12.157 -3.033 1.00 0.61 H new ATOM 0 HB2 ASP A 78 5.034 -11.733 -5.219 1.00 0.77 H new ATOM 0 HB3 ASP A 78 6.407 -12.685 -4.688 1.00 0.77 H new ATOM 952 N THR A 79 4.741 -13.545 -1.127 1.00 0.61 N ATOM 953 CA THR A 79 5.006 -14.602 -0.172 1.00 0.72 C ATOM 954 C THR A 79 3.863 -15.617 -0.205 1.00 0.78 C ATOM 955 O THR A 79 2.793 -15.309 -0.736 1.00 0.84 O ATOM 956 CB THR A 79 5.154 -14.010 1.247 1.00 0.77 C ATOM 957 OG1 THR A 79 5.949 -12.818 1.186 1.00 1.04 O ATOM 958 CG2 THR A 79 5.809 -14.999 2.201 1.00 1.20 C ATOM 0 H THR A 79 3.939 -12.963 -0.886 1.00 0.61 H new ATOM 0 HA THR A 79 5.937 -15.103 -0.437 1.00 0.72 H new ATOM 0 HB THR A 79 4.156 -13.783 1.623 1.00 0.77 H new ATOM 0 HG1 THR A 79 5.456 -12.120 0.706 1.00 1.04 H new ATOM 0 HG21 THR A 79 5.897 -14.548 3.189 1.00 1.20 H new ATOM 0 HG22 THR A 79 5.199 -15.900 2.266 1.00 1.20 H new ATOM 0 HG23 THR A 79 6.801 -15.258 1.831 1.00 1.20 H new ATOM 966 N LYS A 80 4.067 -16.809 0.346 1.00 0.84 N ATOM 967 CA LYS A 80 2.997 -17.801 0.410 1.00 0.92 C ATOM 968 C LYS A 80 1.805 -17.242 1.192 1.00 0.88 C ATOM 969 O LYS A 80 0.651 -17.394 0.785 1.00 0.90 O ATOM 970 CB LYS A 80 3.502 -19.098 1.049 1.00 1.09 C ATOM 971 CG LYS A 80 2.481 -20.227 1.036 1.00 1.65 C ATOM 972 CD LYS A 80 3.095 -21.553 1.470 1.00 2.05 C ATOM 973 CE LYS A 80 3.558 -21.521 2.919 1.00 3.00 C ATOM 974 NZ LYS A 80 2.429 -21.318 3.865 1.00 3.57 N ATOM 0 H LYS A 80 4.953 -17.111 0.751 1.00 0.84 H new ATOM 0 HA LYS A 80 2.671 -18.028 -0.605 1.00 0.92 H new ATOM 0 HB2 LYS A 80 4.399 -19.426 0.524 1.00 1.09 H new ATOM 0 HB3 LYS A 80 3.793 -18.895 2.080 1.00 1.09 H new ATOM 0 HG2 LYS A 80 1.653 -19.976 1.699 1.00 1.65 H new ATOM 0 HG3 LYS A 80 2.066 -20.330 0.033 1.00 1.65 H new ATOM 0 HD2 LYS A 80 2.363 -22.351 1.341 1.00 2.05 H new ATOM 0 HD3 LYS A 80 3.941 -21.789 0.824 1.00 2.05 H new ATOM 0 HE2 LYS A 80 4.066 -22.456 3.157 1.00 3.00 H new ATOM 0 HE3 LYS A 80 4.287 -20.721 3.048 1.00 3.00 H new ATOM 0 HZ1 LYS A 80 2.756 -21.488 4.838 1.00 3.57 H new ATOM 0 HZ2 LYS A 80 2.078 -20.342 3.783 1.00 3.57 H new ATOM 0 HZ3 LYS A 80 1.662 -21.982 3.637 1.00 3.57 H new ATOM 988 N ASP A 81 2.099 -16.577 2.307 1.00 0.90 N ATOM 989 CA ASP A 81 1.069 -15.928 3.123 1.00 0.93 C ATOM 990 C ASP A 81 0.351 -14.851 2.326 1.00 0.83 C ATOM 991 O ASP A 81 -0.869 -14.707 2.400 1.00 0.82 O ATOM 992 CB ASP A 81 1.687 -15.280 4.365 1.00 1.08 C ATOM 993 CG ASP A 81 2.391 -16.263 5.269 1.00 1.46 C ATOM 994 OD1 ASP A 81 3.590 -16.529 5.041 1.00 2.24 O ATOM 995 OD2 ASP A 81 1.760 -16.754 6.226 1.00 2.00 O ATOM 0 H ASP A 81 3.047 -16.472 2.670 1.00 0.90 H new ATOM 0 HA ASP A 81 0.360 -16.699 3.425 1.00 0.93 H new ATOM 0 HB2 ASP A 81 2.397 -14.515 4.051 1.00 1.08 H new ATOM 0 HB3 ASP A 81 0.903 -14.775 4.930 1.00 1.08 H new ATOM 1000 N ALA A 82 1.126 -14.112 1.544 1.00 0.82 N ATOM 1001 CA ALA A 82 0.617 -12.968 0.803 1.00 0.82 C ATOM 1002 C ALA A 82 -0.318 -13.392 -0.322 1.00 0.82 C ATOM 1003 O ALA A 82 -1.002 -12.558 -0.913 1.00 0.84 O ATOM 1004 CB ALA A 82 1.765 -12.142 0.250 1.00 0.97 C ATOM 0 H ALA A 82 2.121 -14.288 1.406 1.00 0.82 H new ATOM 0 HA ALA A 82 0.041 -12.358 1.498 1.00 0.82 H new ATOM 0 HB1 ALA A 82 1.368 -11.290 -0.302 1.00 0.97 H new ATOM 0 HB2 ALA A 82 2.385 -11.785 1.072 1.00 0.97 H new ATOM 0 HB3 ALA A 82 2.367 -12.758 -0.418 1.00 0.97 H new ATOM 1010 N ASP A 83 -0.344 -14.683 -0.629 1.00 0.91 N ATOM 1011 CA ASP A 83 -1.235 -15.190 -1.660 1.00 1.03 C ATOM 1012 C ASP A 83 -2.656 -15.193 -1.131 1.00 0.98 C ATOM 1013 O ASP A 83 -3.597 -14.843 -1.838 1.00 1.03 O ATOM 1014 CB ASP A 83 -0.825 -16.599 -2.106 1.00 1.27 C ATOM 1015 CG ASP A 83 -1.798 -17.197 -3.107 1.00 1.72 C ATOM 1016 OD1 ASP A 83 -2.748 -17.890 -2.685 1.00 2.22 O ATOM 1017 OD2 ASP A 83 -1.610 -16.989 -4.323 1.00 2.33 O ATOM 0 H ASP A 83 0.237 -15.392 -0.182 1.00 0.91 H new ATOM 0 HA ASP A 83 -1.170 -14.540 -2.532 1.00 1.03 H new ATOM 0 HB2 ASP A 83 0.170 -16.561 -2.549 1.00 1.27 H new ATOM 0 HB3 ASP A 83 -0.761 -17.249 -1.233 1.00 1.27 H new ATOM 1022 N LYS A 84 -2.791 -15.538 0.140 1.00 0.96 N ATOM 1023 CA LYS A 84 -4.088 -15.599 0.783 1.00 1.04 C ATOM 1024 C LYS A 84 -4.621 -14.201 1.045 1.00 0.94 C ATOM 1025 O LYS A 84 -5.763 -13.891 0.703 1.00 1.04 O ATOM 1026 CB LYS A 84 -3.989 -16.378 2.093 1.00 1.17 C ATOM 1027 CG LYS A 84 -3.737 -17.868 1.909 1.00 1.67 C ATOM 1028 CD LYS A 84 -4.838 -18.541 1.098 1.00 2.01 C ATOM 1029 CE LYS A 84 -6.212 -18.349 1.727 1.00 2.47 C ATOM 1030 NZ LYS A 84 -6.275 -18.883 3.113 1.00 3.21 N ATOM 0 H LYS A 84 -2.009 -15.781 0.748 1.00 0.96 H new ATOM 0 HA LYS A 84 -4.780 -16.113 0.116 1.00 1.04 H new ATOM 0 HB2 LYS A 84 -3.185 -15.955 2.695 1.00 1.17 H new ATOM 0 HB3 LYS A 84 -4.913 -16.243 2.655 1.00 1.17 H new ATOM 0 HG2 LYS A 84 -2.779 -18.014 1.410 1.00 1.67 H new ATOM 0 HG3 LYS A 84 -3.663 -18.346 2.886 1.00 1.67 H new ATOM 0 HD2 LYS A 84 -4.843 -18.134 0.087 1.00 2.01 H new ATOM 0 HD3 LYS A 84 -4.625 -19.606 1.012 1.00 2.01 H new ATOM 0 HE2 LYS A 84 -6.460 -17.288 1.737 1.00 2.47 H new ATOM 0 HE3 LYS A 84 -6.963 -18.846 1.113 1.00 2.47 H new ATOM 0 HZ1 LYS A 84 -7.252 -18.823 3.464 1.00 3.21 H new ATOM 0 HZ2 LYS A 84 -5.966 -19.876 3.117 1.00 3.21 H new ATOM 0 HZ3 LYS A 84 -5.651 -18.324 3.729 1.00 3.21 H new ATOM 1044 N VAL A 85 -3.782 -13.357 1.637 1.00 0.80 N ATOM 1045 CA VAL A 85 -4.173 -11.986 1.939 1.00 0.77 C ATOM 1046 C VAL A 85 -4.529 -11.249 0.651 1.00 0.68 C ATOM 1047 O VAL A 85 -5.491 -10.489 0.620 1.00 0.75 O ATOM 1048 CB VAL A 85 -3.060 -11.199 2.690 1.00 0.75 C ATOM 1049 CG1 VAL A 85 -3.638 -9.959 3.354 1.00 1.35 C ATOM 1050 CG2 VAL A 85 -2.328 -12.069 3.714 1.00 1.16 C ATOM 0 H VAL A 85 -2.831 -13.598 1.916 1.00 0.80 H new ATOM 0 HA VAL A 85 -5.040 -12.041 2.597 1.00 0.77 H new ATOM 0 HB VAL A 85 -2.325 -10.890 1.947 1.00 0.75 H new ATOM 0 HG11 VAL A 85 -2.845 -9.422 3.874 1.00 1.35 H new ATOM 0 HG12 VAL A 85 -4.078 -9.312 2.595 1.00 1.35 H new ATOM 0 HG13 VAL A 85 -4.406 -10.254 4.069 1.00 1.35 H new ATOM 0 HG21 VAL A 85 -1.561 -11.477 4.213 1.00 1.16 H new ATOM 0 HG22 VAL A 85 -3.039 -12.437 4.453 1.00 1.16 H new ATOM 0 HG23 VAL A 85 -1.862 -12.914 3.207 1.00 1.16 H new ATOM 1060 N LYS A 86 -3.780 -11.509 -0.420 1.00 0.60 N ATOM 1061 CA LYS A 86 -4.030 -10.858 -1.701 1.00 0.59 C ATOM 1062 C LYS A 86 -5.449 -11.138 -2.178 1.00 0.69 C ATOM 1063 O LYS A 86 -6.196 -10.214 -2.488 1.00 0.78 O ATOM 1064 CB LYS A 86 -3.030 -11.339 -2.754 1.00 0.62 C ATOM 1065 CG LYS A 86 -3.090 -10.558 -4.059 1.00 0.79 C ATOM 1066 CD LYS A 86 -2.155 -11.126 -5.124 1.00 1.07 C ATOM 1067 CE LYS A 86 -0.697 -11.157 -4.672 1.00 1.57 C ATOM 1068 NZ LYS A 86 -0.372 -12.374 -3.876 1.00 2.30 N ATOM 0 H LYS A 86 -2.998 -12.164 -0.424 1.00 0.60 H new ATOM 0 HA LYS A 86 -3.909 -9.784 -1.561 1.00 0.59 H new ATOM 0 HB2 LYS A 86 -2.022 -11.267 -2.344 1.00 0.62 H new ATOM 0 HB3 LYS A 86 -3.215 -12.393 -2.963 1.00 0.62 H new ATOM 0 HG2 LYS A 86 -4.113 -10.566 -4.436 1.00 0.79 H new ATOM 0 HG3 LYS A 86 -2.828 -9.517 -3.868 1.00 0.79 H new ATOM 0 HD2 LYS A 86 -2.473 -12.137 -5.380 1.00 1.07 H new ATOM 0 HD3 LYS A 86 -2.237 -10.527 -6.031 1.00 1.07 H new ATOM 0 HE2 LYS A 86 -0.048 -11.115 -5.547 1.00 1.57 H new ATOM 0 HE3 LYS A 86 -0.486 -10.270 -4.075 1.00 1.57 H new ATOM 0 HZ1 LYS A 86 -0.327 -12.127 -2.867 1.00 2.30 H new ATOM 0 HZ2 LYS A 86 -1.109 -13.093 -4.024 1.00 2.30 H new ATOM 0 HZ3 LYS A 86 0.547 -12.753 -4.181 1.00 2.30 H new ATOM 1082 N LYS A 87 -5.814 -12.415 -2.204 1.00 0.75 N ATOM 1083 CA LYS A 87 -7.132 -12.833 -2.673 1.00 0.89 C ATOM 1084 C LYS A 87 -8.236 -12.168 -1.856 1.00 0.88 C ATOM 1085 O LYS A 87 -9.209 -11.651 -2.409 1.00 0.93 O ATOM 1086 CB LYS A 87 -7.277 -14.354 -2.579 1.00 1.06 C ATOM 1087 CG LYS A 87 -6.198 -15.136 -3.312 1.00 1.85 C ATOM 1088 CD LYS A 87 -6.152 -14.801 -4.794 1.00 2.29 C ATOM 1089 CE LYS A 87 -5.090 -15.615 -5.516 1.00 3.21 C ATOM 1090 NZ LYS A 87 -5.377 -17.075 -5.477 1.00 3.93 N ATOM 0 H LYS A 87 -5.213 -13.183 -1.904 1.00 0.75 H new ATOM 0 HA LYS A 87 -7.228 -12.525 -3.714 1.00 0.89 H new ATOM 0 HB2 LYS A 87 -7.267 -14.643 -1.528 1.00 1.06 H new ATOM 0 HB3 LYS A 87 -8.250 -14.639 -2.979 1.00 1.06 H new ATOM 0 HG2 LYS A 87 -5.228 -14.922 -2.863 1.00 1.85 H new ATOM 0 HG3 LYS A 87 -6.378 -16.204 -3.188 1.00 1.85 H new ATOM 0 HD2 LYS A 87 -7.127 -14.994 -5.242 1.00 2.29 H new ATOM 0 HD3 LYS A 87 -5.947 -13.738 -4.922 1.00 2.29 H new ATOM 0 HE2 LYS A 87 -5.026 -15.287 -6.553 1.00 3.21 H new ATOM 0 HE3 LYS A 87 -4.118 -15.425 -5.061 1.00 3.21 H new ATOM 0 HZ1 LYS A 87 -4.762 -17.568 -6.156 1.00 3.93 H new ATOM 0 HZ2 LYS A 87 -5.197 -17.439 -4.519 1.00 3.93 H new ATOM 0 HZ3 LYS A 87 -6.373 -17.240 -5.728 1.00 3.93 H new ATOM 1104 N GLU A 88 -8.068 -12.173 -0.539 1.00 0.90 N ATOM 1105 CA GLU A 88 -9.064 -11.607 0.360 1.00 0.98 C ATOM 1106 C GLU A 88 -9.138 -10.090 0.208 1.00 0.96 C ATOM 1107 O GLU A 88 -10.212 -9.497 0.324 1.00 1.02 O ATOM 1108 CB GLU A 88 -8.752 -11.985 1.810 1.00 1.06 C ATOM 1109 CG GLU A 88 -8.773 -13.484 2.062 1.00 1.16 C ATOM 1110 CD GLU A 88 -8.580 -13.837 3.522 1.00 1.87 C ATOM 1111 OE1 GLU A 88 -7.435 -14.114 3.931 1.00 2.43 O ATOM 1112 OE2 GLU A 88 -9.581 -13.855 4.272 1.00 2.58 O ATOM 0 H GLU A 88 -7.250 -12.563 -0.070 1.00 0.90 H new ATOM 0 HA GLU A 88 -10.036 -12.022 0.093 1.00 0.98 H new ATOM 0 HB2 GLU A 88 -7.770 -11.593 2.076 1.00 1.06 H new ATOM 0 HB3 GLU A 88 -9.476 -11.504 2.467 1.00 1.06 H new ATOM 0 HG2 GLU A 88 -9.723 -13.892 1.717 1.00 1.16 H new ATOM 0 HG3 GLU A 88 -7.989 -13.958 1.472 1.00 1.16 H new ATOM 1119 N ILE A 89 -8.000 -9.465 -0.056 1.00 0.91 N ATOM 1120 CA ILE A 89 -7.958 -8.025 -0.271 1.00 0.93 C ATOM 1121 C ILE A 89 -8.624 -7.659 -1.592 1.00 0.87 C ATOM 1122 O ILE A 89 -9.446 -6.749 -1.635 1.00 0.91 O ATOM 1123 CB ILE A 89 -6.513 -7.474 -0.239 1.00 0.96 C ATOM 1124 CG1 ILE A 89 -5.918 -7.627 1.166 1.00 1.05 C ATOM 1125 CG2 ILE A 89 -6.475 -6.016 -0.682 1.00 1.03 C ATOM 1126 CD1 ILE A 89 -6.654 -6.850 2.239 1.00 1.17 C ATOM 0 H ILE A 89 -7.095 -9.930 -0.127 1.00 0.91 H new ATOM 0 HA ILE A 89 -8.508 -7.564 0.549 1.00 0.93 H new ATOM 0 HB ILE A 89 -5.910 -8.053 -0.939 1.00 0.96 H new ATOM 0 HG12 ILE A 89 -5.916 -8.683 1.435 1.00 1.05 H new ATOM 0 HG13 ILE A 89 -4.878 -7.301 1.146 1.00 1.05 H new ATOM 0 HG21 ILE A 89 -5.448 -5.653 -0.650 1.00 1.03 H new ATOM 0 HG22 ILE A 89 -6.858 -5.935 -1.699 1.00 1.03 H new ATOM 0 HG23 ILE A 89 -7.093 -5.416 -0.013 1.00 1.03 H new ATOM 0 HD11 ILE A 89 -6.170 -7.012 3.202 1.00 1.17 H new ATOM 0 HD12 ILE A 89 -6.634 -5.787 1.997 1.00 1.17 H new ATOM 0 HD13 ILE A 89 -7.688 -7.191 2.291 1.00 1.17 H new ATOM 1138 N GLU A 90 -8.288 -8.386 -2.657 1.00 0.81 N ATOM 1139 CA GLU A 90 -8.878 -8.136 -3.970 1.00 0.79 C ATOM 1140 C GLU A 90 -10.400 -8.156 -3.890 1.00 0.79 C ATOM 1141 O GLU A 90 -11.067 -7.230 -4.350 1.00 0.79 O ATOM 1142 CB GLU A 90 -8.411 -9.176 -4.992 1.00 0.83 C ATOM 1143 CG GLU A 90 -6.919 -9.141 -5.278 1.00 1.35 C ATOM 1144 CD GLU A 90 -6.519 -10.102 -6.379 1.00 1.53 C ATOM 1145 OE1 GLU A 90 -6.158 -9.633 -7.480 1.00 1.94 O ATOM 1146 OE2 GLU A 90 -6.576 -11.330 -6.158 1.00 2.08 O ATOM 0 H GLU A 90 -7.613 -9.150 -2.636 1.00 0.81 H new ATOM 0 HA GLU A 90 -8.547 -7.149 -4.294 1.00 0.79 H new ATOM 0 HB2 GLU A 90 -8.677 -10.169 -4.631 1.00 0.83 H new ATOM 0 HB3 GLU A 90 -8.952 -9.021 -5.925 1.00 0.83 H new ATOM 0 HG2 GLU A 90 -6.630 -8.129 -5.560 1.00 1.35 H new ATOM 0 HG3 GLU A 90 -6.372 -9.387 -4.368 1.00 1.35 H new ATOM 1153 N LYS A 91 -10.938 -9.210 -3.285 1.00 0.85 N ATOM 1154 CA LYS A 91 -12.379 -9.357 -3.136 1.00 0.93 C ATOM 1155 C LYS A 91 -12.969 -8.216 -2.315 1.00 0.96 C ATOM 1156 O LYS A 91 -13.909 -7.553 -2.748 1.00 0.97 O ATOM 1157 CB LYS A 91 -12.714 -10.694 -2.472 1.00 1.11 C ATOM 1158 CG LYS A 91 -12.348 -11.908 -3.311 1.00 1.66 C ATOM 1159 CD LYS A 91 -13.152 -11.963 -4.600 1.00 1.93 C ATOM 1160 CE LYS A 91 -12.809 -13.198 -5.420 1.00 2.60 C ATOM 1161 NZ LYS A 91 -13.062 -14.460 -4.670 1.00 3.12 N ATOM 0 H LYS A 91 -10.394 -9.977 -2.889 1.00 0.85 H new ATOM 0 HA LYS A 91 -12.819 -9.329 -4.133 1.00 0.93 H new ATOM 0 HB2 LYS A 91 -12.193 -10.755 -1.517 1.00 1.11 H new ATOM 0 HB3 LYS A 91 -13.782 -10.723 -2.255 1.00 1.11 H new ATOM 0 HG2 LYS A 91 -11.284 -11.880 -3.546 1.00 1.66 H new ATOM 0 HG3 LYS A 91 -12.523 -12.816 -2.734 1.00 1.66 H new ATOM 0 HD2 LYS A 91 -14.217 -11.965 -4.366 1.00 1.93 H new ATOM 0 HD3 LYS A 91 -12.957 -11.068 -5.190 1.00 1.93 H new ATOM 0 HE2 LYS A 91 -13.398 -13.198 -6.337 1.00 2.60 H new ATOM 0 HE3 LYS A 91 -11.760 -13.157 -5.715 1.00 2.60 H new ATOM 0 HZ1 LYS A 91 -13.045 -15.265 -5.329 1.00 3.12 H new ATOM 0 HZ2 LYS A 91 -12.325 -14.588 -3.948 1.00 3.12 H new ATOM 0 HZ3 LYS A 91 -13.993 -14.409 -4.209 1.00 3.12 H new ATOM 1175 N LYS A 92 -12.396 -7.975 -1.142 1.00 1.03 N ATOM 1176 CA LYS A 92 -12.930 -6.974 -0.227 1.00 1.17 C ATOM 1177 C LYS A 92 -12.795 -5.559 -0.787 1.00 1.08 C ATOM 1178 O LYS A 92 -13.666 -4.721 -0.565 1.00 1.15 O ATOM 1179 CB LYS A 92 -12.264 -7.082 1.147 1.00 1.37 C ATOM 1180 CG LYS A 92 -12.701 -8.319 1.923 1.00 1.59 C ATOM 1181 CD LYS A 92 -12.223 -8.305 3.372 1.00 1.81 C ATOM 1182 CE LYS A 92 -10.783 -8.785 3.529 1.00 2.18 C ATOM 1183 NZ LYS A 92 -9.789 -7.837 2.960 1.00 2.41 N ATOM 0 H LYS A 92 -11.564 -8.458 -0.803 1.00 1.03 H new ATOM 0 HA LYS A 92 -13.995 -7.176 -0.111 1.00 1.17 H new ATOM 0 HB2 LYS A 92 -11.182 -7.103 1.020 1.00 1.37 H new ATOM 0 HB3 LYS A 92 -12.499 -6.192 1.730 1.00 1.37 H new ATOM 0 HG2 LYS A 92 -13.789 -8.389 1.904 1.00 1.59 H new ATOM 0 HG3 LYS A 92 -12.316 -9.209 1.426 1.00 1.59 H new ATOM 0 HD2 LYS A 92 -12.308 -7.293 3.767 1.00 1.81 H new ATOM 0 HD3 LYS A 92 -12.878 -8.937 3.971 1.00 1.81 H new ATOM 0 HE2 LYS A 92 -10.569 -8.935 4.587 1.00 2.18 H new ATOM 0 HE3 LYS A 92 -10.674 -9.754 3.041 1.00 2.18 H new ATOM 0 HZ1 LYS A 92 -8.935 -7.832 3.553 1.00 2.41 H new ATOM 0 HZ2 LYS A 92 -9.539 -8.134 1.995 1.00 2.41 H new ATOM 0 HZ3 LYS A 92 -10.197 -6.881 2.933 1.00 2.41 H new ATOM 1197 N ALA A 93 -11.720 -5.299 -1.521 1.00 0.98 N ATOM 1198 CA ALA A 93 -11.526 -4.000 -2.157 1.00 0.99 C ATOM 1199 C ALA A 93 -12.562 -3.781 -3.253 1.00 0.90 C ATOM 1200 O ALA A 93 -13.069 -2.674 -3.433 1.00 0.98 O ATOM 1201 CB ALA A 93 -10.120 -3.881 -2.725 1.00 1.01 C ATOM 0 H ALA A 93 -10.970 -5.969 -1.691 1.00 0.98 H new ATOM 0 HA ALA A 93 -11.655 -3.228 -1.398 1.00 0.99 H new ATOM 0 HB1 ALA A 93 -9.999 -2.905 -3.194 1.00 1.01 H new ATOM 0 HB2 ALA A 93 -9.392 -3.990 -1.921 1.00 1.01 H new ATOM 0 HB3 ALA A 93 -9.960 -4.663 -3.468 1.00 1.01 H new ATOM 1207 N ARG A 94 -12.880 -4.849 -3.977 1.00 0.82 N ATOM 1208 CA ARG A 94 -13.901 -4.797 -5.014 1.00 0.85 C ATOM 1209 C ARG A 94 -15.278 -4.601 -4.393 1.00 0.86 C ATOM 1210 O ARG A 94 -16.089 -3.811 -4.880 1.00 0.92 O ATOM 1211 CB ARG A 94 -13.876 -6.075 -5.859 1.00 0.93 C ATOM 1212 CG ARG A 94 -12.677 -6.162 -6.790 1.00 1.31 C ATOM 1213 CD ARG A 94 -12.543 -7.543 -7.415 1.00 1.63 C ATOM 1214 NE ARG A 94 -13.738 -7.938 -8.157 1.00 2.21 N ATOM 1215 CZ ARG A 94 -13.730 -8.792 -9.181 1.00 2.80 C ATOM 1216 NH1 ARG A 94 -12.591 -9.348 -9.580 1.00 2.96 N ATOM 1217 NH2 ARG A 94 -14.861 -9.095 -9.799 1.00 3.67 N ATOM 0 H ARG A 94 -12.443 -5.764 -3.863 1.00 0.82 H new ATOM 0 HA ARG A 94 -13.687 -3.949 -5.664 1.00 0.85 H new ATOM 0 HB2 ARG A 94 -13.875 -6.940 -5.196 1.00 0.93 H new ATOM 0 HB3 ARG A 94 -14.790 -6.128 -6.450 1.00 0.93 H new ATOM 0 HG2 ARG A 94 -12.774 -5.415 -7.578 1.00 1.31 H new ATOM 0 HG3 ARG A 94 -11.769 -5.925 -6.236 1.00 1.31 H new ATOM 0 HD2 ARG A 94 -11.683 -7.554 -8.085 1.00 1.63 H new ATOM 0 HD3 ARG A 94 -12.346 -8.275 -6.632 1.00 1.63 H new ATOM 0 HE ARG A 94 -14.632 -7.536 -7.875 1.00 2.21 H new ATOM 0 HH11 ARG A 94 -11.718 -9.122 -9.103 1.00 2.96 H new ATOM 0 HH12 ARG A 94 -12.589 -10.001 -10.364 1.00 2.96 H new ATOM 0 HH21 ARG A 94 -15.738 -8.675 -9.492 1.00 3.67 H new ATOM 0 HH22 ARG A 94 -14.855 -9.748 -10.582 1.00 3.67 H new ATOM 1231 N LYS A 95 -15.529 -5.303 -3.295 1.00 0.90 N ATOM 1232 CA LYS A 95 -16.798 -5.192 -2.585 1.00 1.02 C ATOM 1233 C LYS A 95 -16.900 -3.857 -1.854 1.00 1.02 C ATOM 1234 O LYS A 95 -17.965 -3.490 -1.356 1.00 1.15 O ATOM 1235 CB LYS A 95 -16.959 -6.343 -1.588 1.00 1.23 C ATOM 1236 CG LYS A 95 -17.001 -7.722 -2.232 1.00 1.55 C ATOM 1237 CD LYS A 95 -18.171 -7.871 -3.196 1.00 2.10 C ATOM 1238 CE LYS A 95 -19.507 -7.652 -2.503 1.00 2.52 C ATOM 1239 NZ LYS A 95 -20.654 -7.957 -3.398 1.00 3.34 N ATOM 0 H LYS A 95 -14.869 -5.957 -2.875 1.00 0.90 H new ATOM 0 HA LYS A 95 -17.599 -5.246 -3.323 1.00 1.02 H new ATOM 0 HB2 LYS A 95 -16.134 -6.311 -0.876 1.00 1.23 H new ATOM 0 HB3 LYS A 95 -17.876 -6.191 -1.019 1.00 1.23 H new ATOM 0 HG2 LYS A 95 -16.068 -7.901 -2.766 1.00 1.55 H new ATOM 0 HG3 LYS A 95 -17.074 -8.482 -1.454 1.00 1.55 H new ATOM 0 HD2 LYS A 95 -18.063 -7.156 -4.011 1.00 2.10 H new ATOM 0 HD3 LYS A 95 -18.151 -8.866 -3.640 1.00 2.10 H new ATOM 0 HE2 LYS A 95 -19.562 -8.282 -1.615 1.00 2.52 H new ATOM 0 HE3 LYS A 95 -19.575 -6.618 -2.165 1.00 2.52 H new ATOM 0 HZ1 LYS A 95 -21.545 -7.795 -2.887 1.00 3.34 H new ATOM 0 HZ2 LYS A 95 -20.616 -7.339 -4.234 1.00 3.34 H new ATOM 0 HZ3 LYS A 95 -20.604 -8.951 -3.700 1.00 3.34 H new ATOM 1253 N LYS A 96 -15.794 -3.131 -1.801 1.00 0.97 N ATOM 1254 CA LYS A 96 -15.773 -1.832 -1.128 1.00 1.03 C ATOM 1255 C LYS A 96 -15.754 -0.702 -2.162 1.00 0.96 C ATOM 1256 O LYS A 96 -15.881 0.475 -1.824 1.00 1.07 O ATOM 1257 CB LYS A 96 -14.563 -1.713 -0.173 1.00 1.15 C ATOM 1258 CG LYS A 96 -14.534 -0.435 0.649 1.00 1.29 C ATOM 1259 CD LYS A 96 -15.609 -0.452 1.722 1.00 1.68 C ATOM 1260 CE LYS A 96 -15.569 0.799 2.586 1.00 1.78 C ATOM 1261 NZ LYS A 96 -15.999 2.011 1.843 1.00 2.17 N ATOM 0 H LYS A 96 -14.903 -3.412 -2.211 1.00 0.97 H new ATOM 0 HA LYS A 96 -16.679 -1.747 -0.528 1.00 1.03 H new ATOM 0 HB2 LYS A 96 -14.566 -2.566 0.505 1.00 1.15 H new ATOM 0 HB3 LYS A 96 -13.646 -1.774 -0.759 1.00 1.15 H new ATOM 0 HG2 LYS A 96 -13.554 -0.319 1.113 1.00 1.29 H new ATOM 0 HG3 LYS A 96 -14.681 0.425 -0.004 1.00 1.29 H new ATOM 0 HD2 LYS A 96 -16.589 -0.538 1.253 1.00 1.68 H new ATOM 0 HD3 LYS A 96 -15.479 -1.332 2.352 1.00 1.68 H new ATOM 0 HE2 LYS A 96 -16.214 0.659 3.454 1.00 1.78 H new ATOM 0 HE3 LYS A 96 -14.556 0.946 2.962 1.00 1.78 H new ATOM 0 HZ1 LYS A 96 -15.859 2.852 2.439 1.00 2.17 H new ATOM 0 HZ2 LYS A 96 -15.434 2.104 0.975 1.00 2.17 H new ATOM 0 HZ3 LYS A 96 -17.005 1.927 1.594 1.00 2.17 H new ATOM 1275 N ASN A 97 -15.624 -1.093 -3.434 1.00 0.86 N ATOM 1276 CA ASN A 97 -15.502 -0.152 -4.548 1.00 0.86 C ATOM 1277 C ASN A 97 -14.302 0.768 -4.331 1.00 0.87 C ATOM 1278 O ASN A 97 -14.418 1.991 -4.320 1.00 1.04 O ATOM 1279 CB ASN A 97 -16.804 0.643 -4.735 1.00 0.97 C ATOM 1280 CG ASN A 97 -16.815 1.477 -6.006 1.00 1.61 C ATOM 1281 OD1 ASN A 97 -16.528 2.674 -5.985 1.00 2.27 O ATOM 1282 ND2 ASN A 97 -17.138 0.849 -7.125 1.00 2.33 N ATOM 0 H ASN A 97 -15.601 -2.072 -3.719 1.00 0.86 H new ATOM 0 HA ASN A 97 -15.332 -0.712 -5.467 1.00 0.86 H new ATOM 0 HB2 ASN A 97 -17.646 -0.049 -4.754 1.00 0.97 H new ATOM 0 HB3 ASN A 97 -16.949 1.298 -3.876 1.00 0.97 H new ATOM 0 HD21 ASN A 97 -17.155 1.358 -8.009 1.00 2.33 H new ATOM 0 HD22 ASN A 97 -17.370 -0.144 -7.104 1.00 2.33 H new ATOM 1289 N LEU A 98 -13.146 0.154 -4.141 1.00 0.78 N ATOM 1290 CA LEU A 98 -11.918 0.885 -3.877 1.00 0.84 C ATOM 1291 C LEU A 98 -10.904 0.649 -4.999 1.00 0.71 C ATOM 1292 O LEU A 98 -10.347 -0.445 -5.108 1.00 0.65 O ATOM 1293 CB LEU A 98 -11.325 0.425 -2.544 1.00 1.00 C ATOM 1294 CG LEU A 98 -10.095 1.207 -2.064 1.00 1.40 C ATOM 1295 CD1 LEU A 98 -10.455 2.643 -1.706 1.00 1.70 C ATOM 1296 CD2 LEU A 98 -9.454 0.505 -0.880 1.00 2.08 C ATOM 0 H LEU A 98 -13.032 -0.859 -4.165 1.00 0.78 H new ATOM 0 HA LEU A 98 -12.146 1.950 -3.829 1.00 0.84 H new ATOM 0 HB2 LEU A 98 -12.099 0.493 -1.779 1.00 1.00 H new ATOM 0 HB3 LEU A 98 -11.054 -0.627 -2.630 1.00 1.00 H new ATOM 0 HG LEU A 98 -9.377 1.241 -2.883 1.00 1.40 H new ATOM 0 HD11 LEU A 98 -9.562 3.169 -1.370 1.00 1.70 H new ATOM 0 HD12 LEU A 98 -10.863 3.145 -2.583 1.00 1.70 H new ATOM 0 HD13 LEU A 98 -11.198 2.644 -0.909 1.00 1.70 H new ATOM 0 HD21 LEU A 98 -8.583 1.071 -0.550 1.00 2.08 H new ATOM 0 HD22 LEU A 98 -10.173 0.438 -0.064 1.00 2.08 H new ATOM 0 HD23 LEU A 98 -9.145 -0.498 -1.175 1.00 2.08 H new ATOM 1308 N PRO A 99 -10.677 1.647 -5.872 1.00 0.83 N ATOM 1309 CA PRO A 99 -9.649 1.555 -6.916 1.00 0.85 C ATOM 1310 C PRO A 99 -8.257 1.343 -6.323 1.00 0.70 C ATOM 1311 O PRO A 99 -7.756 2.183 -5.574 1.00 0.77 O ATOM 1312 CB PRO A 99 -9.710 2.908 -7.630 1.00 1.15 C ATOM 1313 CG PRO A 99 -11.022 3.511 -7.256 1.00 1.25 C ATOM 1314 CD PRO A 99 -11.417 2.920 -5.927 1.00 1.10 C ATOM 0 HA PRO A 99 -9.828 0.709 -7.579 1.00 0.85 H new ATOM 0 HB2 PRO A 99 -8.884 3.549 -7.322 1.00 1.15 H new ATOM 0 HB3 PRO A 99 -9.632 2.783 -8.710 1.00 1.15 H new ATOM 0 HG2 PRO A 99 -10.942 4.596 -7.187 1.00 1.25 H new ATOM 0 HG3 PRO A 99 -11.776 3.295 -8.013 1.00 1.25 H new ATOM 0 HD2 PRO A 99 -11.144 3.577 -5.101 1.00 1.10 H new ATOM 0 HD3 PRO A 99 -12.493 2.760 -5.865 1.00 1.10 H new ATOM 1322 N VAL A 100 -7.634 0.224 -6.668 1.00 0.58 N ATOM 1323 CA VAL A 100 -6.331 -0.129 -6.119 1.00 0.47 C ATOM 1324 C VAL A 100 -5.377 -0.579 -7.221 1.00 0.42 C ATOM 1325 O VAL A 100 -5.791 -1.226 -8.184 1.00 0.50 O ATOM 1326 CB VAL A 100 -6.444 -1.258 -5.062 1.00 0.46 C ATOM 1327 CG1 VAL A 100 -7.236 -0.795 -3.849 1.00 1.30 C ATOM 1328 CG2 VAL A 100 -7.082 -2.505 -5.660 1.00 1.35 C ATOM 0 H VAL A 100 -8.011 -0.457 -7.327 1.00 0.58 H new ATOM 0 HA VAL A 100 -5.939 0.768 -5.639 1.00 0.47 H new ATOM 0 HB VAL A 100 -5.433 -1.507 -4.739 1.00 0.46 H new ATOM 0 HG11 VAL A 100 -7.299 -1.607 -3.124 1.00 1.30 H new ATOM 0 HG12 VAL A 100 -6.737 0.060 -3.393 1.00 1.30 H new ATOM 0 HG13 VAL A 100 -8.240 -0.506 -4.159 1.00 1.30 H new ATOM 0 HG21 VAL A 100 -7.149 -3.281 -4.897 1.00 1.35 H new ATOM 0 HG22 VAL A 100 -8.082 -2.264 -6.022 1.00 1.35 H new ATOM 0 HG23 VAL A 100 -6.472 -2.863 -6.490 1.00 1.35 H new ATOM 1338 N ARG A 101 -4.110 -0.217 -7.094 1.00 0.43 N ATOM 1339 CA ARG A 101 -3.089 -0.708 -8.010 1.00 0.43 C ATOM 1340 C ARG A 101 -2.178 -1.679 -7.276 1.00 0.40 C ATOM 1341 O ARG A 101 -1.337 -1.260 -6.482 1.00 0.39 O ATOM 1342 CB ARG A 101 -2.255 0.439 -8.583 1.00 0.49 C ATOM 1343 CG ARG A 101 -1.470 0.032 -9.822 1.00 1.20 C ATOM 1344 CD ARG A 101 -0.476 1.101 -10.249 1.00 1.40 C ATOM 1345 NE ARG A 101 0.697 1.147 -9.372 1.00 2.23 N ATOM 1346 CZ ARG A 101 1.910 1.537 -9.775 1.00 2.89 C ATOM 1347 NH1 ARG A 101 2.107 1.913 -11.034 1.00 2.96 N ATOM 1348 NH2 ARG A 101 2.927 1.555 -8.920 1.00 3.87 N ATOM 0 H ARG A 101 -3.764 0.412 -6.370 1.00 0.43 H new ATOM 0 HA ARG A 101 -3.588 -1.212 -8.838 1.00 0.43 H new ATOM 0 HB2 ARG A 101 -2.913 1.272 -8.832 1.00 0.49 H new ATOM 0 HB3 ARG A 101 -1.563 0.796 -7.820 1.00 0.49 H new ATOM 0 HG2 ARG A 101 -0.938 -0.898 -9.623 1.00 1.20 H new ATOM 0 HG3 ARG A 101 -2.163 -0.165 -10.640 1.00 1.20 H new ATOM 0 HD2 ARG A 101 -0.155 0.908 -11.273 1.00 1.40 H new ATOM 0 HD3 ARG A 101 -0.968 2.074 -10.247 1.00 1.40 H new ATOM 0 HE ARG A 101 0.581 0.865 -8.399 1.00 2.23 H new ATOM 0 HH11 ARG A 101 1.331 1.905 -11.696 1.00 2.96 H new ATOM 0 HH12 ARG A 101 3.034 2.210 -11.338 1.00 2.96 H new ATOM 0 HH21 ARG A 101 2.784 1.270 -7.951 1.00 3.87 H new ATOM 0 HH22 ARG A 101 3.851 1.853 -9.233 1.00 3.87 H new ATOM 1362 N ILE A 102 -2.349 -2.966 -7.535 1.00 0.43 N ATOM 1363 CA ILE A 102 -1.591 -3.992 -6.831 1.00 0.43 C ATOM 1364 C ILE A 102 -0.300 -4.321 -7.573 1.00 0.45 C ATOM 1365 O ILE A 102 -0.326 -4.741 -8.730 1.00 0.56 O ATOM 1366 CB ILE A 102 -2.421 -5.284 -6.647 1.00 0.54 C ATOM 1367 CG1 ILE A 102 -3.722 -4.979 -5.897 1.00 0.60 C ATOM 1368 CG2 ILE A 102 -1.611 -6.337 -5.901 1.00 0.60 C ATOM 1369 CD1 ILE A 102 -4.613 -6.188 -5.700 1.00 0.76 C ATOM 0 H ILE A 102 -3.006 -3.326 -8.227 1.00 0.43 H new ATOM 0 HA ILE A 102 -1.348 -3.591 -5.847 1.00 0.43 H new ATOM 0 HB ILE A 102 -2.672 -5.677 -7.632 1.00 0.54 H new ATOM 0 HG12 ILE A 102 -3.478 -4.557 -4.922 1.00 0.60 H new ATOM 0 HG13 ILE A 102 -4.276 -4.217 -6.445 1.00 0.60 H new ATOM 0 HG21 ILE A 102 -2.211 -7.239 -5.780 1.00 0.60 H new ATOM 0 HG22 ILE A 102 -0.711 -6.573 -6.468 1.00 0.60 H new ATOM 0 HG23 ILE A 102 -1.332 -5.953 -4.920 1.00 0.60 H new ATOM 0 HD11 ILE A 102 -5.514 -5.892 -5.162 1.00 0.76 H new ATOM 0 HD12 ILE A 102 -4.889 -6.599 -6.671 1.00 0.76 H new ATOM 0 HD13 ILE A 102 -4.078 -6.944 -5.125 1.00 0.76 H new ATOM 1381 N ARG A 103 0.823 -4.117 -6.902 1.00 0.41 N ATOM 1382 CA ARG A 103 2.128 -4.423 -7.469 1.00 0.50 C ATOM 1383 C ARG A 103 2.914 -5.329 -6.523 1.00 0.43 C ATOM 1384 O ARG A 103 2.877 -5.146 -5.308 1.00 0.53 O ATOM 1385 CB ARG A 103 2.899 -3.126 -7.739 1.00 0.65 C ATOM 1386 CG ARG A 103 4.300 -3.358 -8.303 1.00 1.12 C ATOM 1387 CD ARG A 103 4.886 -2.119 -8.981 1.00 1.27 C ATOM 1388 NE ARG A 103 6.140 -2.428 -9.668 1.00 1.83 N ATOM 1389 CZ ARG A 103 6.358 -2.210 -10.966 1.00 2.44 C ATOM 1390 NH1 ARG A 103 5.397 -1.704 -11.733 1.00 2.64 N ATOM 1391 NH2 ARG A 103 7.539 -2.507 -11.495 1.00 3.34 N ATOM 0 H ARG A 103 0.857 -3.737 -5.956 1.00 0.41 H new ATOM 0 HA ARG A 103 1.991 -4.949 -8.414 1.00 0.50 H new ATOM 0 HB2 ARG A 103 2.331 -2.513 -8.439 1.00 0.65 H new ATOM 0 HB3 ARG A 103 2.978 -2.560 -6.811 1.00 0.65 H new ATOM 0 HG2 ARG A 103 4.963 -3.671 -7.496 1.00 1.12 H new ATOM 0 HG3 ARG A 103 4.265 -4.176 -9.022 1.00 1.12 H new ATOM 0 HD2 ARG A 103 4.167 -1.719 -9.696 1.00 1.27 H new ATOM 0 HD3 ARG A 103 5.060 -1.343 -8.236 1.00 1.27 H new ATOM 0 HE ARG A 103 6.897 -2.836 -9.119 1.00 1.83 H new ATOM 0 HH11 ARG A 103 4.487 -1.480 -11.330 1.00 2.64 H new ATOM 0 HH12 ARG A 103 5.570 -1.539 -12.725 1.00 2.64 H new ATOM 0 HH21 ARG A 103 8.276 -2.900 -10.909 1.00 3.34 H new ATOM 0 HH22 ARG A 103 7.710 -2.342 -12.487 1.00 3.34 H new ATOM 1405 N LYS A 104 3.616 -6.308 -7.083 1.00 0.38 N ATOM 1406 CA LYS A 104 4.392 -7.251 -6.283 1.00 0.39 C ATOM 1407 C LYS A 104 5.882 -6.984 -6.443 1.00 0.37 C ATOM 1408 O LYS A 104 6.431 -7.137 -7.537 1.00 0.46 O ATOM 1409 CB LYS A 104 4.082 -8.689 -6.703 1.00 0.51 C ATOM 1410 CG LYS A 104 2.609 -9.052 -6.612 1.00 0.63 C ATOM 1411 CD LYS A 104 2.329 -10.438 -7.177 1.00 1.06 C ATOM 1412 CE LYS A 104 2.713 -10.544 -8.648 1.00 1.50 C ATOM 1413 NZ LYS A 104 1.994 -9.553 -9.496 1.00 1.91 N ATOM 0 H LYS A 104 3.664 -6.470 -8.089 1.00 0.38 H new ATOM 0 HA LYS A 104 4.116 -7.117 -5.237 1.00 0.39 H new ATOM 0 HB2 LYS A 104 4.421 -8.839 -7.728 1.00 0.51 H new ATOM 0 HB3 LYS A 104 4.654 -9.372 -6.075 1.00 0.51 H new ATOM 0 HG2 LYS A 104 2.289 -9.013 -5.571 1.00 0.63 H new ATOM 0 HG3 LYS A 104 2.019 -8.313 -7.154 1.00 0.63 H new ATOM 0 HD2 LYS A 104 2.882 -11.182 -6.604 1.00 1.06 H new ATOM 0 HD3 LYS A 104 1.270 -10.669 -7.061 1.00 1.06 H new ATOM 0 HE2 LYS A 104 3.788 -10.395 -8.752 1.00 1.50 H new ATOM 0 HE3 LYS A 104 2.495 -11.550 -9.006 1.00 1.50 H new ATOM 0 HZ1 LYS A 104 2.156 -9.772 -10.500 1.00 1.91 H new ATOM 0 HZ2 LYS A 104 0.975 -9.597 -9.293 1.00 1.91 H new ATOM 0 HZ3 LYS A 104 2.348 -8.597 -9.289 1.00 1.91 H new ATOM 1427 N VAL A 105 6.537 -6.588 -5.361 1.00 0.35 N ATOM 1428 CA VAL A 105 7.961 -6.273 -5.403 1.00 0.39 C ATOM 1429 C VAL A 105 8.663 -6.777 -4.149 1.00 0.46 C ATOM 1430 O VAL A 105 8.055 -6.884 -3.083 1.00 0.52 O ATOM 1431 CB VAL A 105 8.220 -4.744 -5.518 1.00 0.43 C ATOM 1432 CG1 VAL A 105 7.557 -4.162 -6.751 1.00 0.43 C ATOM 1433 CG2 VAL A 105 7.743 -4.019 -4.271 1.00 0.55 C ATOM 0 H VAL A 105 6.107 -6.477 -4.443 1.00 0.35 H new ATOM 0 HA VAL A 105 8.358 -6.770 -6.289 1.00 0.39 H new ATOM 0 HB VAL A 105 9.296 -4.601 -5.614 1.00 0.43 H new ATOM 0 HG11 VAL A 105 7.758 -3.092 -6.801 1.00 0.43 H new ATOM 0 HG12 VAL A 105 7.955 -4.648 -7.642 1.00 0.43 H new ATOM 0 HG13 VAL A 105 6.481 -4.327 -6.698 1.00 0.43 H new ATOM 0 HG21 VAL A 105 7.935 -2.951 -4.375 1.00 0.55 H new ATOM 0 HG22 VAL A 105 6.674 -4.184 -4.141 1.00 0.55 H new ATOM 0 HG23 VAL A 105 8.278 -4.401 -3.401 1.00 0.55 H new ATOM 1443 N THR A 106 9.932 -7.117 -4.284 1.00 0.52 N ATOM 1444 CA THR A 106 10.787 -7.290 -3.130 1.00 0.61 C ATOM 1445 C THR A 106 12.084 -6.518 -3.353 1.00 0.58 C ATOM 1446 O THR A 106 13.029 -7.028 -3.947 1.00 0.67 O ATOM 1447 CB THR A 106 11.093 -8.779 -2.886 1.00 0.80 C ATOM 1448 OG1 THR A 106 9.867 -9.526 -2.886 1.00 1.32 O ATOM 1449 CG2 THR A 106 11.813 -8.979 -1.561 1.00 1.64 C ATOM 0 H THR A 106 10.390 -7.278 -5.181 1.00 0.52 H new ATOM 0 HA THR A 106 10.273 -6.907 -2.248 1.00 0.61 H new ATOM 0 HB THR A 106 11.743 -9.133 -3.686 1.00 0.80 H new ATOM 0 HG1 THR A 106 10.062 -10.474 -2.732 1.00 1.32 H new ATOM 0 HG21 THR A 106 12.017 -10.040 -1.414 1.00 1.64 H new ATOM 0 HG22 THR A 106 12.753 -8.427 -1.571 1.00 1.64 H new ATOM 0 HG23 THR A 106 11.186 -8.614 -0.747 1.00 1.64 H new ATOM 1457 N SER A 107 12.107 -5.286 -2.860 1.00 0.50 N ATOM 1458 CA SER A 107 13.239 -4.387 -3.042 1.00 0.51 C ATOM 1459 C SER A 107 12.920 -3.036 -2.411 1.00 0.45 C ATOM 1460 O SER A 107 11.909 -2.412 -2.745 1.00 0.44 O ATOM 1461 CB SER A 107 13.552 -4.199 -4.532 1.00 0.56 C ATOM 1462 OG SER A 107 14.613 -3.277 -4.720 1.00 1.36 O ATOM 0 H SER A 107 11.340 -4.882 -2.322 1.00 0.50 H new ATOM 0 HA SER A 107 14.113 -4.824 -2.559 1.00 0.51 H new ATOM 0 HB2 SER A 107 13.818 -5.159 -4.975 1.00 0.56 H new ATOM 0 HB3 SER A 107 12.662 -3.844 -5.052 1.00 0.56 H new ATOM 0 HG SER A 107 15.006 -3.407 -5.608 1.00 1.36 H new ATOM 1468 N PRO A 108 13.764 -2.579 -1.472 1.00 0.47 N ATOM 1469 CA PRO A 108 13.596 -1.276 -0.825 1.00 0.49 C ATOM 1470 C PRO A 108 13.704 -0.126 -1.820 1.00 0.43 C ATOM 1471 O PRO A 108 12.951 0.844 -1.745 1.00 0.47 O ATOM 1472 CB PRO A 108 14.747 -1.209 0.185 1.00 0.63 C ATOM 1473 CG PRO A 108 15.214 -2.613 0.350 1.00 0.69 C ATOM 1474 CD PRO A 108 14.935 -3.304 -0.953 1.00 0.55 C ATOM 0 HA PRO A 108 12.612 -1.180 -0.367 1.00 0.49 H new ATOM 0 HB2 PRO A 108 15.551 -0.568 -0.178 1.00 0.63 H new ATOM 0 HB3 PRO A 108 14.412 -0.793 1.135 1.00 0.63 H new ATOM 0 HG2 PRO A 108 16.277 -2.644 0.587 1.00 0.69 H new ATOM 0 HG3 PRO A 108 14.690 -3.103 1.170 1.00 0.69 H new ATOM 0 HD2 PRO A 108 15.784 -3.238 -1.634 1.00 0.55 H new ATOM 0 HD3 PRO A 108 14.722 -4.363 -0.810 1.00 0.55 H new ATOM 1482 N ASP A 109 14.634 -0.252 -2.760 1.00 0.46 N ATOM 1483 CA ASP A 109 14.867 0.790 -3.754 1.00 0.50 C ATOM 1484 C ASP A 109 13.661 0.946 -4.675 1.00 0.41 C ATOM 1485 O ASP A 109 13.255 2.066 -4.992 1.00 0.44 O ATOM 1486 CB ASP A 109 16.117 0.477 -4.579 1.00 0.64 C ATOM 1487 CG ASP A 109 16.427 1.567 -5.583 1.00 1.56 C ATOM 1488 OD1 ASP A 109 16.070 1.412 -6.765 1.00 2.22 O ATOM 1489 OD2 ASP A 109 17.019 2.595 -5.190 1.00 2.37 O ATOM 0 H ASP A 109 15.240 -1.067 -2.855 1.00 0.46 H new ATOM 0 HA ASP A 109 15.020 1.729 -3.223 1.00 0.50 H new ATOM 0 HB2 ASP A 109 16.968 0.348 -3.911 1.00 0.64 H new ATOM 0 HB3 ASP A 109 15.977 -0.468 -5.103 1.00 0.64 H new ATOM 1494 N GLU A 110 13.095 -0.181 -5.096 1.00 0.38 N ATOM 1495 CA GLU A 110 11.904 -0.171 -5.941 1.00 0.38 C ATOM 1496 C GLU A 110 10.739 0.488 -5.215 1.00 0.36 C ATOM 1497 O GLU A 110 10.056 1.347 -5.774 1.00 0.42 O ATOM 1498 CB GLU A 110 11.519 -1.594 -6.350 1.00 0.43 C ATOM 1499 CG GLU A 110 12.535 -2.271 -7.257 1.00 0.68 C ATOM 1500 CD GLU A 110 12.613 -1.635 -8.629 1.00 1.32 C ATOM 1501 OE1 GLU A 110 11.922 -2.119 -9.554 1.00 2.01 O ATOM 1502 OE2 GLU A 110 13.366 -0.653 -8.793 1.00 2.12 O ATOM 0 H GLU A 110 13.441 -1.113 -4.866 1.00 0.38 H new ATOM 0 HA GLU A 110 12.133 0.403 -6.839 1.00 0.38 H new ATOM 0 HB2 GLU A 110 11.390 -2.197 -5.451 1.00 0.43 H new ATOM 0 HB3 GLU A 110 10.555 -1.567 -6.857 1.00 0.43 H new ATOM 0 HG2 GLU A 110 13.518 -2.232 -6.787 1.00 0.68 H new ATOM 0 HG3 GLU A 110 12.275 -3.324 -7.364 1.00 0.68 H new ATOM 1509 N ALA A 111 10.534 0.092 -3.960 1.00 0.33 N ATOM 1510 CA ALA A 111 9.450 0.636 -3.145 1.00 0.35 C ATOM 1511 C ALA A 111 9.534 2.155 -3.071 1.00 0.34 C ATOM 1512 O ALA A 111 8.546 2.850 -3.307 1.00 0.41 O ATOM 1513 CB ALA A 111 9.484 0.039 -1.744 1.00 0.38 C ATOM 0 H ALA A 111 11.106 -0.606 -3.485 1.00 0.33 H new ATOM 0 HA ALA A 111 8.506 0.367 -3.618 1.00 0.35 H new ATOM 0 HB1 ALA A 111 8.670 0.456 -1.151 1.00 0.38 H new ATOM 0 HB2 ALA A 111 9.370 -1.043 -1.807 1.00 0.38 H new ATOM 0 HB3 ALA A 111 10.436 0.277 -1.270 1.00 0.38 H new ATOM 1519 N LYS A 112 10.724 2.660 -2.763 1.00 0.32 N ATOM 1520 CA LYS A 112 10.949 4.099 -2.668 1.00 0.34 C ATOM 1521 C LYS A 112 10.597 4.795 -3.978 1.00 0.37 C ATOM 1522 O LYS A 112 10.011 5.878 -3.980 1.00 0.42 O ATOM 1523 CB LYS A 112 12.411 4.384 -2.312 1.00 0.40 C ATOM 1524 CG LYS A 112 12.838 3.822 -0.966 1.00 0.48 C ATOM 1525 CD LYS A 112 14.348 3.890 -0.777 1.00 0.62 C ATOM 1526 CE LYS A 112 14.848 5.323 -0.704 1.00 1.11 C ATOM 1527 NZ LYS A 112 16.326 5.388 -0.564 1.00 1.51 N ATOM 0 H LYS A 112 11.550 2.092 -2.574 1.00 0.32 H new ATOM 0 HA LYS A 112 10.302 4.489 -1.882 1.00 0.34 H new ATOM 0 HB2 LYS A 112 13.052 3.967 -3.089 1.00 0.40 H new ATOM 0 HB3 LYS A 112 12.571 5.462 -2.312 1.00 0.40 H new ATOM 0 HG2 LYS A 112 12.347 4.378 -0.168 1.00 0.48 H new ATOM 0 HG3 LYS A 112 12.508 2.787 -0.883 1.00 0.48 H new ATOM 0 HD2 LYS A 112 14.623 3.363 0.137 1.00 0.62 H new ATOM 0 HD3 LYS A 112 14.840 3.376 -1.602 1.00 0.62 H new ATOM 0 HE2 LYS A 112 14.545 5.860 -1.603 1.00 1.11 H new ATOM 0 HE3 LYS A 112 14.381 5.828 0.141 1.00 1.11 H new ATOM 0 HZ1 LYS A 112 16.627 6.382 -0.518 1.00 1.51 H new ATOM 0 HZ2 LYS A 112 16.614 4.898 0.307 1.00 1.51 H new ATOM 0 HZ3 LYS A 112 16.773 4.929 -1.383 1.00 1.51 H new ATOM 1541 N ARG A 113 10.936 4.153 -5.090 1.00 0.38 N ATOM 1542 CA ARG A 113 10.726 4.740 -6.404 1.00 0.46 C ATOM 1543 C ARG A 113 9.244 4.822 -6.747 1.00 0.43 C ATOM 1544 O ARG A 113 8.767 5.864 -7.189 1.00 0.50 O ATOM 1545 CB ARG A 113 11.458 3.940 -7.481 1.00 0.57 C ATOM 1546 CG ARG A 113 11.293 4.523 -8.874 1.00 0.77 C ATOM 1547 CD ARG A 113 12.037 3.711 -9.917 1.00 1.01 C ATOM 1548 NE ARG A 113 11.856 4.248 -11.263 1.00 1.68 N ATOM 1549 CZ ARG A 113 12.053 3.549 -12.376 1.00 2.13 C ATOM 1550 NH1 ARG A 113 12.479 2.295 -12.313 1.00 1.97 N ATOM 1551 NH2 ARG A 113 11.836 4.109 -13.556 1.00 2.96 N ATOM 0 H ARG A 113 11.358 3.225 -5.106 1.00 0.38 H new ATOM 0 HA ARG A 113 11.131 5.752 -6.373 1.00 0.46 H new ATOM 0 HB2 ARG A 113 12.519 3.898 -7.235 1.00 0.57 H new ATOM 0 HB3 ARG A 113 11.089 2.914 -7.477 1.00 0.57 H new ATOM 0 HG2 ARG A 113 10.234 4.560 -9.129 1.00 0.77 H new ATOM 0 HG3 ARG A 113 11.659 5.550 -8.884 1.00 0.77 H new ATOM 0 HD2 ARG A 113 13.099 3.695 -9.673 1.00 1.01 H new ATOM 0 HD3 ARG A 113 11.688 2.679 -9.889 1.00 1.01 H new ATOM 0 HE ARG A 113 11.560 5.220 -11.355 1.00 1.68 H new ATOM 0 HH11 ARG A 113 12.657 1.862 -11.407 1.00 1.97 H new ATOM 0 HH12 ARG A 113 12.628 1.763 -13.171 1.00 1.97 H new ATOM 0 HH21 ARG A 113 11.518 5.077 -13.611 1.00 2.96 H new ATOM 0 HH22 ARG A 113 11.987 3.573 -14.410 1.00 2.96 H new ATOM 1565 N TRP A 114 8.517 3.730 -6.535 1.00 0.39 N ATOM 1566 CA TRP A 114 7.101 3.682 -6.896 1.00 0.39 C ATOM 1567 C TRP A 114 6.299 4.664 -6.055 1.00 0.40 C ATOM 1568 O TRP A 114 5.283 5.197 -6.501 1.00 0.46 O ATOM 1569 CB TRP A 114 6.540 2.263 -6.745 1.00 0.38 C ATOM 1570 CG TRP A 114 7.339 1.219 -7.473 1.00 0.38 C ATOM 1571 CD1 TRP A 114 7.600 -0.051 -7.045 1.00 0.34 C ATOM 1572 CD2 TRP A 114 7.995 1.354 -8.746 1.00 0.66 C ATOM 1573 NE1 TRP A 114 8.373 -0.712 -7.967 1.00 0.40 N ATOM 1574 CE2 TRP A 114 8.630 0.128 -9.016 1.00 0.63 C ATOM 1575 CE3 TRP A 114 8.110 2.388 -9.685 1.00 1.00 C ATOM 1576 CZ2 TRP A 114 9.364 -0.089 -10.177 1.00 0.92 C ATOM 1577 CZ3 TRP A 114 8.840 2.168 -10.834 1.00 1.29 C ATOM 1578 CH2 TRP A 114 9.459 0.939 -11.071 1.00 1.25 C ATOM 0 H TRP A 114 8.879 2.872 -6.119 1.00 0.39 H new ATOM 0 HA TRP A 114 7.013 3.970 -7.943 1.00 0.39 H new ATOM 0 HB2 TRP A 114 6.503 2.007 -5.686 1.00 0.38 H new ATOM 0 HB3 TRP A 114 5.514 2.246 -7.113 1.00 0.38 H new ATOM 0 HD1 TRP A 114 7.249 -0.474 -6.115 1.00 0.34 H new ATOM 0 HE1 TRP A 114 8.702 -1.674 -7.884 1.00 0.40 H new ATOM 0 HE3 TRP A 114 7.634 3.342 -9.511 1.00 1.00 H new ATOM 0 HZ2 TRP A 114 9.843 -1.039 -10.365 1.00 0.92 H new ATOM 0 HZ3 TRP A 114 8.935 2.959 -11.563 1.00 1.29 H new ATOM 0 HH2 TRP A 114 10.025 0.798 -11.980 1.00 1.25 H new ATOM 1589 N ILE A 115 6.772 4.909 -4.846 1.00 0.38 N ATOM 1590 CA ILE A 115 6.168 5.906 -3.980 1.00 0.41 C ATOM 1591 C ILE A 115 6.481 7.310 -4.496 1.00 0.47 C ATOM 1592 O ILE A 115 5.605 8.176 -4.542 1.00 0.55 O ATOM 1593 CB ILE A 115 6.656 5.747 -2.524 1.00 0.40 C ATOM 1594 CG1 ILE A 115 6.178 4.407 -1.958 1.00 0.40 C ATOM 1595 CG2 ILE A 115 6.166 6.901 -1.662 1.00 0.45 C ATOM 1596 CD1 ILE A 115 6.647 4.137 -0.546 1.00 0.44 C ATOM 0 H ILE A 115 7.576 4.429 -4.440 1.00 0.38 H new ATOM 0 HA ILE A 115 5.088 5.757 -3.991 1.00 0.41 H new ATOM 0 HB ILE A 115 7.746 5.763 -2.516 1.00 0.40 H new ATOM 0 HG12 ILE A 115 5.088 4.382 -1.980 1.00 0.40 H new ATOM 0 HG13 ILE A 115 6.528 3.604 -2.607 1.00 0.40 H new ATOM 0 HG21 ILE A 115 6.522 6.768 -0.640 1.00 0.45 H new ATOM 0 HG22 ILE A 115 6.549 7.841 -2.060 1.00 0.45 H new ATOM 0 HG23 ILE A 115 5.076 6.922 -1.667 1.00 0.45 H new ATOM 0 HD11 ILE A 115 6.268 3.170 -0.215 1.00 0.44 H new ATOM 0 HD12 ILE A 115 7.737 4.128 -0.520 1.00 0.44 H new ATOM 0 HD13 ILE A 115 6.275 4.918 0.117 1.00 0.44 H new ATOM 1608 N LYS A 116 7.727 7.519 -4.910 1.00 0.50 N ATOM 1609 CA LYS A 116 8.143 8.795 -5.482 1.00 0.60 C ATOM 1610 C LYS A 116 7.383 9.095 -6.770 1.00 0.57 C ATOM 1611 O LYS A 116 6.990 10.234 -7.007 1.00 0.69 O ATOM 1612 CB LYS A 116 9.650 8.803 -5.751 1.00 0.73 C ATOM 1613 CG LYS A 116 10.492 9.188 -4.544 1.00 1.18 C ATOM 1614 CD LYS A 116 10.290 10.650 -4.172 1.00 1.85 C ATOM 1615 CE LYS A 116 11.205 11.074 -3.034 1.00 2.50 C ATOM 1616 NZ LYS A 116 11.033 12.508 -2.686 1.00 3.13 N ATOM 0 H LYS A 116 8.468 6.819 -4.860 1.00 0.50 H new ATOM 0 HA LYS A 116 7.910 9.573 -4.755 1.00 0.60 H new ATOM 0 HB2 LYS A 116 9.953 7.813 -6.092 1.00 0.73 H new ATOM 0 HB3 LYS A 116 9.860 9.498 -6.564 1.00 0.73 H new ATOM 0 HG2 LYS A 116 10.228 8.555 -3.697 1.00 1.18 H new ATOM 0 HG3 LYS A 116 11.545 9.008 -4.760 1.00 1.18 H new ATOM 0 HD2 LYS A 116 10.479 11.276 -5.044 1.00 1.85 H new ATOM 0 HD3 LYS A 116 9.251 10.812 -3.883 1.00 1.85 H new ATOM 0 HE2 LYS A 116 11.000 10.461 -2.156 1.00 2.50 H new ATOM 0 HE3 LYS A 116 12.242 10.891 -3.315 1.00 2.50 H new ATOM 0 HZ1 LYS A 116 11.675 12.755 -1.906 1.00 3.13 H new ATOM 0 HZ2 LYS A 116 11.253 13.095 -3.515 1.00 3.13 H new ATOM 0 HZ3 LYS A 116 10.050 12.678 -2.392 1.00 3.13 H new ATOM 1630 N GLU A 117 7.172 8.065 -7.585 1.00 0.53 N ATOM 1631 CA GLU A 117 6.448 8.205 -8.848 1.00 0.58 C ATOM 1632 C GLU A 117 5.074 8.830 -8.635 1.00 0.57 C ATOM 1633 O GLU A 117 4.672 9.732 -9.365 1.00 0.66 O ATOM 1634 CB GLU A 117 6.293 6.842 -9.525 1.00 0.70 C ATOM 1635 CG GLU A 117 7.599 6.259 -10.041 1.00 1.28 C ATOM 1636 CD GLU A 117 8.219 7.106 -11.131 1.00 1.51 C ATOM 1637 OE1 GLU A 117 7.699 7.091 -12.264 1.00 2.14 O ATOM 1638 OE2 GLU A 117 9.230 7.787 -10.866 1.00 1.93 O ATOM 0 H GLU A 117 7.494 7.117 -7.392 1.00 0.53 H new ATOM 0 HA GLU A 117 7.030 8.866 -9.491 1.00 0.58 H new ATOM 0 HB2 GLU A 117 5.850 6.143 -8.816 1.00 0.70 H new ATOM 0 HB3 GLU A 117 5.595 6.938 -10.357 1.00 0.70 H new ATOM 0 HG2 GLU A 117 8.303 6.164 -9.214 1.00 1.28 H new ATOM 0 HG3 GLU A 117 7.419 5.254 -10.424 1.00 1.28 H new ATOM 1645 N PHE A 118 4.369 8.360 -7.619 1.00 0.56 N ATOM 1646 CA PHE A 118 3.022 8.841 -7.343 1.00 0.66 C ATOM 1647 C PHE A 118 3.055 10.124 -6.527 1.00 0.73 C ATOM 1648 O PHE A 118 2.068 10.860 -6.466 1.00 0.88 O ATOM 1649 CB PHE A 118 2.209 7.770 -6.621 1.00 0.73 C ATOM 1650 CG PHE A 118 1.724 6.676 -7.527 1.00 0.69 C ATOM 1651 CD1 PHE A 118 0.379 6.569 -7.842 1.00 1.33 C ATOM 1652 CD2 PHE A 118 2.608 5.760 -8.071 1.00 1.27 C ATOM 1653 CE1 PHE A 118 -0.071 5.569 -8.679 1.00 1.57 C ATOM 1654 CE2 PHE A 118 2.162 4.760 -8.907 1.00 1.56 C ATOM 1655 CZ PHE A 118 0.821 4.664 -9.211 1.00 1.41 C ATOM 0 H PHE A 118 4.705 7.647 -6.972 1.00 0.56 H new ATOM 0 HA PHE A 118 2.541 9.060 -8.296 1.00 0.66 H new ATOM 0 HB2 PHE A 118 2.819 7.333 -5.831 1.00 0.73 H new ATOM 0 HB3 PHE A 118 1.351 8.239 -6.139 1.00 0.73 H new ATOM 0 HD1 PHE A 118 -0.325 7.276 -7.428 1.00 1.33 H new ATOM 0 HD2 PHE A 118 3.660 5.830 -7.837 1.00 1.27 H new ATOM 0 HE1 PHE A 118 -1.122 5.496 -8.917 1.00 1.57 H new ATOM 0 HE2 PHE A 118 2.863 4.052 -9.324 1.00 1.56 H new ATOM 0 HZ PHE A 118 0.470 3.880 -9.866 1.00 1.41 H new ATOM 1665 N SER A 119 4.195 10.395 -5.910 1.00 0.69 N ATOM 1666 CA SER A 119 4.371 11.610 -5.132 1.00 0.80 C ATOM 1667 C SER A 119 4.601 12.804 -6.061 1.00 0.79 C ATOM 1668 O SER A 119 4.535 13.955 -5.632 1.00 0.90 O ATOM 1669 CB SER A 119 5.542 11.451 -4.149 1.00 0.93 C ATOM 1670 OG SER A 119 5.697 12.600 -3.332 1.00 1.20 O ATOM 0 H SER A 119 5.014 9.787 -5.934 1.00 0.69 H new ATOM 0 HA SER A 119 3.464 11.792 -4.555 1.00 0.80 H new ATOM 0 HB2 SER A 119 5.374 10.577 -3.520 1.00 0.93 H new ATOM 0 HB3 SER A 119 6.463 11.272 -4.705 1.00 0.93 H new ATOM 0 HG SER A 119 5.317 13.380 -3.788 1.00 1.20 H new ATOM 1676 N GLU A 120 4.866 12.521 -7.333 1.00 0.81 N ATOM 1677 CA GLU A 120 5.027 13.571 -8.329 1.00 0.96 C ATOM 1678 C GLU A 120 4.113 13.314 -9.524 1.00 1.17 C ATOM 1679 O GLU A 120 4.369 13.774 -10.637 1.00 1.50 O ATOM 1680 CB GLU A 120 6.501 13.689 -8.760 1.00 1.08 C ATOM 1681 CG GLU A 120 7.153 12.373 -9.166 1.00 1.41 C ATOM 1682 CD GLU A 120 7.286 12.213 -10.666 1.00 2.00 C ATOM 1683 OE1 GLU A 120 7.829 13.129 -11.316 1.00 2.45 O ATOM 1684 OE2 GLU A 120 6.876 11.162 -11.202 1.00 2.77 O ATOM 0 H GLU A 120 4.973 11.574 -7.696 1.00 0.81 H new ATOM 0 HA GLU A 120 4.737 14.523 -7.885 1.00 0.96 H new ATOM 0 HB2 GLU A 120 6.566 14.384 -9.597 1.00 1.08 H new ATOM 0 HB3 GLU A 120 7.072 14.124 -7.939 1.00 1.08 H new ATOM 0 HG2 GLU A 120 8.141 12.309 -8.711 1.00 1.41 H new ATOM 0 HG3 GLU A 120 6.565 11.546 -8.769 1.00 1.41 H new ATOM 1691 N GLU A 121 3.042 12.573 -9.276 1.00 1.22 N ATOM 1692 CA GLU A 121 2.045 12.294 -10.291 1.00 1.56 C ATOM 1693 C GLU A 121 0.747 13.024 -9.958 1.00 2.02 C ATOM 1694 O GLU A 121 0.494 14.093 -10.557 1.00 2.60 O ATOM 1695 CB GLU A 121 1.805 10.787 -10.385 1.00 1.96 C ATOM 1696 CG GLU A 121 0.783 10.384 -11.431 1.00 2.47 C ATOM 1697 CD GLU A 121 1.226 10.691 -12.849 1.00 3.35 C ATOM 1698 OE1 GLU A 121 0.973 11.815 -13.328 1.00 4.00 O ATOM 1699 OE2 GLU A 121 1.818 9.801 -13.496 1.00 3.84 O ATOM 1700 OXT GLU A 121 0.001 12.547 -9.074 1.00 2.53 O ATOM 0 H GLU A 121 2.843 12.152 -8.369 1.00 1.22 H new ATOM 0 HA GLU A 121 2.406 12.649 -11.257 1.00 1.56 H new ATOM 0 HB2 GLU A 121 2.751 10.293 -10.608 1.00 1.96 H new ATOM 0 HB3 GLU A 121 1.476 10.421 -9.412 1.00 1.96 H new ATOM 0 HG2 GLU A 121 0.584 9.316 -11.343 1.00 2.47 H new ATOM 0 HG3 GLU A 121 -0.156 10.901 -11.231 1.00 2.47 H new