USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 768 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -1.02 K(o=-2.9,f=-8.2!) USER MOD Set 1.2: A 61 SER OG : rot 37:sc= -1.86! USER MOD Set 2.1: A 48 LYS NZ :NH3+ -114:sc= -0.835 (180deg=-1.6!) USER MOD Set 2.2: A 52 CYS SG : rot 87:sc= -4.37! USER MOD Set 2.3: A 59 MET CE :methyl 169:sc= -0.46 (180deg=-0.997) USER MOD Set 3.1: A 21 TYR OH : rot 165:sc= -0.129 USER MOD Set 3.2: A 37 LYS NZ :NH3+ 171:sc= 0.00585 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.17 (180deg=0.321) USER MOD Single : A 2 SER OG : rot 180:sc= 0.016 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= -0.0147 (180deg=-0.134) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00978 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.0201 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -162:sc= 1.22 (180deg=1.08) USER MOD Single : A 29 GLN : amide:sc= -1.55! C(o=-1.6!,f=-2.9!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= -0.53 X(o=-0.53,f=-0.97) USER MOD Single : A 39 LYS NZ :NH3+ 162:sc= 1.2 (180deg=0.912) USER MOD Single : A 40 MET CE :methyl -172:sc= -2.97 (180deg=-3.22) USER MOD Single : A 41 THR OG1 : rot -41:sc= 0.761 USER MOD Single : A 42 THR OG1 : rot 170:sc= 0 USER MOD Single : A 43 HIS : no HD1:sc= -0.406 X(o=-0.41,f=-0.0067) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 0.908 (180deg=0.894) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 87:sc= 1.26 USER MOD Single : A 51 TYR OH : rot 24:sc= -3.24! USER MOD Single : A 53 GLN : amide:sc= -0.0615 K(o=-0.061,f=-0.61) USER MOD Single : A 55 GLN : amide:sc= -3.2! K(o=-3.2!,f=-0.66) USER MOD Single : A 69 GLN : amide:sc= -2.06! X(o=-2.1!,f=-1.8) USER MOD Single : A 74 ASN : amide:sc= -0.0506 X(o=-0.051,f=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.67 K(o=-1.7,f=-3) USER MOD Single : A 76 THR OG1 : rot 171:sc= -0.809 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 154:sc= -0.808 (180deg=-2.26) USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.285 K(o=-0.29,f=-1.6) USER MOD Single : A 94 GLN : amide:sc= -1.67! K(o=-1.7!,f=-0.96) USER MOD Single : A 95 THR OG1 : rot -110:sc= 1.2 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -25.677 -28.325 31.146 1.00 0.00 N ATOM 2 CA MET A 1 -25.518 -29.163 29.936 1.00 0.00 C ATOM 3 C MET A 1 -26.352 -28.615 28.794 1.00 0.00 C ATOM 4 O MET A 1 -26.799 -29.351 27.921 1.00 0.00 O ATOM 5 CB MET A 1 -25.922 -30.608 30.223 1.00 0.00 C ATOM 6 CG MET A 1 -25.046 -31.296 31.246 1.00 0.00 C ATOM 7 SD MET A 1 -25.345 -30.716 32.929 1.00 0.00 S ATOM 8 CE MET A 1 -24.191 -31.730 33.847 1.00 0.00 C ATOM 0 H1 MET A 1 -25.331 -28.846 31.977 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.130 -27.447 31.035 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.682 -28.092 31.277 1.00 0.00 H new ATOM 0 HA MET A 1 -24.467 -29.142 29.648 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.954 -30.624 30.573 1.00 0.00 H new ATOM 0 HB3 MET A 1 -25.892 -31.175 29.293 1.00 0.00 H new ATOM 0 HG2 MET A 1 -25.219 -32.371 31.201 1.00 0.00 H new ATOM 0 HG3 MET A 1 -23.999 -31.131 30.991 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.258 -31.488 34.908 1.00 0.00 H new ATOM 0 HE2 MET A 1 -24.434 -32.782 33.699 1.00 0.00 H new ATOM 0 HE3 MET A 1 -23.178 -31.539 33.494 1.00 0.00 H new ATOM 18 N SER A 2 -26.539 -27.316 28.781 1.00 0.00 N ATOM 19 CA SER A 2 -27.354 -26.672 27.767 1.00 0.00 C ATOM 20 C SER A 2 -26.513 -26.154 26.611 1.00 0.00 C ATOM 21 O SER A 2 -27.018 -25.474 25.716 1.00 0.00 O ATOM 22 CB SER A 2 -28.141 -25.533 28.387 1.00 0.00 C ATOM 23 OG SER A 2 -27.296 -24.688 29.159 1.00 0.00 O ATOM 0 H SER A 2 -26.136 -26.676 29.466 1.00 0.00 H new ATOM 0 HA SER A 2 -28.040 -27.418 27.367 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.624 -24.951 27.602 1.00 0.00 H new ATOM 0 HB3 SER A 2 -28.933 -25.935 29.018 1.00 0.00 H new ATOM 0 HG SER A 2 -27.826 -23.961 29.547 1.00 0.00 H new ATOM 29 N ASP A 3 -25.237 -26.493 26.630 1.00 0.00 N ATOM 30 CA ASP A 3 -24.269 -26.032 25.629 1.00 0.00 C ATOM 31 C ASP A 3 -24.089 -24.537 25.751 1.00 0.00 C ATOM 32 O ASP A 3 -24.688 -23.746 25.021 1.00 0.00 O ATOM 33 CB ASP A 3 -24.670 -26.419 24.193 1.00 0.00 C ATOM 34 CG ASP A 3 -23.642 -25.976 23.167 1.00 0.00 C ATOM 35 OD1 ASP A 3 -22.535 -26.554 23.141 1.00 0.00 O ATOM 36 OD2 ASP A 3 -23.932 -25.050 22.381 1.00 0.00 O ATOM 0 H ASP A 3 -24.832 -27.100 27.342 1.00 0.00 H new ATOM 0 HA ASP A 3 -23.322 -26.533 25.829 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -24.797 -27.500 24.133 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -25.634 -25.971 23.954 1.00 0.00 H new ATOM 41 N GLN A 4 -23.288 -24.148 26.702 1.00 0.00 N ATOM 42 CA GLN A 4 -23.061 -22.755 26.985 1.00 0.00 C ATOM 43 C GLN A 4 -21.839 -22.245 26.255 1.00 0.00 C ATOM 44 O GLN A 4 -20.867 -22.969 26.056 1.00 0.00 O ATOM 45 CB GLN A 4 -22.941 -22.536 28.491 1.00 0.00 C ATOM 46 CG GLN A 4 -21.960 -23.470 29.176 1.00 0.00 C ATOM 47 CD GLN A 4 -22.114 -23.460 30.674 1.00 0.00 C ATOM 48 OE1 GLN A 4 -21.449 -22.694 31.378 1.00 0.00 O ATOM 49 NE2 GLN A 4 -23.010 -24.297 31.175 1.00 0.00 N ATOM 0 H GLN A 4 -22.772 -24.788 27.306 1.00 0.00 H new ATOM 0 HA GLN A 4 -23.916 -22.184 26.625 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -22.634 -21.506 28.674 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -23.924 -22.662 28.945 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -22.107 -24.484 28.804 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -20.942 -23.179 28.915 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -23.536 -24.912 30.554 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -23.174 -24.327 32.181 1.00 0.00 H new ATOM 58 N GLU A 5 -21.893 -21.004 25.842 1.00 0.00 N ATOM 59 CA GLU A 5 -20.818 -20.400 25.091 1.00 0.00 C ATOM 60 C GLU A 5 -19.704 -19.897 26.007 1.00 0.00 C ATOM 61 O GLU A 5 -19.750 -20.069 27.231 1.00 0.00 O ATOM 62 CB GLU A 5 -21.364 -19.261 24.232 1.00 0.00 C ATOM 63 CG GLU A 5 -22.130 -18.210 25.016 1.00 0.00 C ATOM 64 CD GLU A 5 -22.685 -17.126 24.128 1.00 0.00 C ATOM 65 OE1 GLU A 5 -21.954 -16.162 23.839 1.00 0.00 O ATOM 66 OE2 GLU A 5 -23.853 -17.232 23.701 1.00 0.00 O ATOM 0 H GLU A 5 -22.683 -20.383 26.016 1.00 0.00 H new ATOM 0 HA GLU A 5 -20.385 -21.163 24.444 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -20.534 -18.780 23.714 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -22.019 -19.678 23.467 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -22.947 -18.687 25.557 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -21.471 -17.764 25.762 1.00 0.00 H new ATOM 73 N ALA A 6 -18.714 -19.261 25.412 1.00 0.00 N ATOM 74 CA ALA A 6 -17.583 -18.740 26.146 1.00 0.00 C ATOM 75 C ALA A 6 -17.555 -17.228 26.046 1.00 0.00 C ATOM 76 O ALA A 6 -17.892 -16.657 25.005 1.00 0.00 O ATOM 77 CB ALA A 6 -16.286 -19.332 25.622 1.00 0.00 C ATOM 0 H ALA A 6 -18.673 -19.092 24.407 1.00 0.00 H new ATOM 0 HA ALA A 6 -17.686 -19.022 27.194 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -15.447 -18.927 26.187 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -16.310 -20.416 25.734 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -16.170 -19.078 24.568 1.00 0.00 H new ATOM 83 N LYS A 7 -17.152 -16.578 27.114 1.00 0.00 N ATOM 84 CA LYS A 7 -17.118 -15.142 27.165 1.00 0.00 C ATOM 85 C LYS A 7 -15.837 -14.677 27.846 1.00 0.00 C ATOM 86 O LYS A 7 -15.214 -15.446 28.582 1.00 0.00 O ATOM 87 CB LYS A 7 -18.380 -14.604 27.887 1.00 0.00 C ATOM 88 CG LYS A 7 -18.700 -15.282 29.222 1.00 0.00 C ATOM 89 CD LYS A 7 -17.828 -14.762 30.356 1.00 0.00 C ATOM 90 CE LYS A 7 -18.084 -15.514 31.653 1.00 0.00 C ATOM 91 NZ LYS A 7 -19.495 -15.407 32.095 1.00 0.00 N ATOM 0 H LYS A 7 -16.839 -17.035 27.971 1.00 0.00 H new ATOM 0 HA LYS A 7 -17.122 -14.741 26.151 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -18.253 -13.535 28.061 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -19.237 -14.720 27.223 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -19.749 -15.118 29.468 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -18.560 -16.359 29.123 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -16.778 -14.858 30.081 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -18.022 -13.700 30.507 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -17.826 -16.564 31.519 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -17.430 -15.123 32.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -19.590 -15.802 33.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -19.782 -14.407 32.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -20.105 -15.937 31.440 1.00 0.00 H new ATOM 105 N PRO A 8 -15.418 -13.428 27.590 1.00 0.00 N ATOM 106 CA PRO A 8 -14.208 -12.860 28.190 1.00 0.00 C ATOM 107 C PRO A 8 -14.264 -12.874 29.716 1.00 0.00 C ATOM 108 O PRO A 8 -15.337 -12.757 30.315 1.00 0.00 O ATOM 109 CB PRO A 8 -14.189 -11.415 27.676 1.00 0.00 C ATOM 110 CG PRO A 8 -15.039 -11.429 26.458 1.00 0.00 C ATOM 111 CD PRO A 8 -16.083 -12.479 26.691 1.00 0.00 C ATOM 0 HA PRO A 8 -13.318 -13.431 27.923 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -14.581 -10.725 28.423 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -13.174 -11.091 27.445 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -15.497 -10.454 26.291 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.447 -11.658 25.572 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -16.981 -12.059 27.144 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -16.389 -12.955 25.759 1.00 0.00 H new ATOM 119 N SER A 9 -13.114 -12.990 30.346 1.00 0.00 N ATOM 120 CA SER A 9 -13.038 -13.045 31.793 1.00 0.00 C ATOM 121 C SER A 9 -12.713 -11.674 32.379 1.00 0.00 C ATOM 122 O SER A 9 -12.519 -11.518 33.590 1.00 0.00 O ATOM 123 CB SER A 9 -11.996 -14.072 32.215 1.00 0.00 C ATOM 124 OG SER A 9 -10.801 -13.915 31.464 1.00 0.00 O ATOM 0 H SER A 9 -12.211 -13.049 29.875 1.00 0.00 H new ATOM 0 HA SER A 9 -14.011 -13.347 32.181 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.780 -13.962 33.278 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.391 -15.078 32.072 1.00 0.00 H new ATOM 0 HG SER A 9 -10.144 -14.583 31.751 1.00 0.00 H new ATOM 130 N THR A 10 -12.649 -10.681 31.517 1.00 0.00 N ATOM 131 CA THR A 10 -12.387 -9.321 31.924 1.00 0.00 C ATOM 132 C THR A 10 -12.641 -8.379 30.751 1.00 0.00 C ATOM 133 O THR A 10 -13.010 -8.818 29.657 1.00 0.00 O ATOM 134 CB THR A 10 -10.934 -9.142 32.465 1.00 0.00 C ATOM 135 OG1 THR A 10 -10.791 -7.855 33.094 1.00 0.00 O ATOM 136 CG2 THR A 10 -9.903 -9.280 31.346 1.00 0.00 C ATOM 0 H THR A 10 -12.778 -10.797 30.512 1.00 0.00 H new ATOM 0 HA THR A 10 -13.064 -9.077 32.742 1.00 0.00 H new ATOM 0 HB THR A 10 -10.755 -9.929 33.198 1.00 0.00 H new ATOM 0 HG1 THR A 10 -9.876 -7.755 33.431 1.00 0.00 H new ATOM 0 HG21 THR A 10 -8.901 -9.150 31.756 1.00 0.00 H new ATOM 0 HG22 THR A 10 -9.985 -10.269 30.896 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.086 -8.519 30.587 1.00 0.00 H new ATOM 144 N GLU A 11 -12.461 -7.095 30.972 1.00 0.00 N ATOM 145 CA GLU A 11 -12.682 -6.106 29.940 1.00 0.00 C ATOM 146 C GLU A 11 -11.568 -5.068 29.980 1.00 0.00 C ATOM 147 O GLU A 11 -11.470 -4.272 30.918 1.00 0.00 O ATOM 148 CB GLU A 11 -14.070 -5.463 30.125 1.00 0.00 C ATOM 149 CG GLU A 11 -14.501 -4.521 29.007 1.00 0.00 C ATOM 150 CD GLU A 11 -14.085 -3.089 29.248 1.00 0.00 C ATOM 151 OE1 GLU A 11 -14.685 -2.436 30.123 1.00 0.00 O ATOM 152 OE2 GLU A 11 -13.166 -2.604 28.560 1.00 0.00 O ATOM 0 H GLU A 11 -12.159 -6.709 31.867 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.663 -6.580 28.959 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -14.812 -6.257 30.216 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -14.075 -4.912 31.065 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.073 -4.864 28.065 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -15.585 -4.565 28.900 1.00 0.00 H new ATOM 159 N ASP A 12 -10.712 -5.095 28.980 1.00 0.00 N ATOM 160 CA ASP A 12 -9.578 -4.186 28.906 1.00 0.00 C ATOM 161 C ASP A 12 -9.304 -3.834 27.449 1.00 0.00 C ATOM 162 O ASP A 12 -9.805 -4.501 26.543 1.00 0.00 O ATOM 163 CB ASP A 12 -8.341 -4.842 29.538 1.00 0.00 C ATOM 164 CG ASP A 12 -7.163 -3.901 29.645 1.00 0.00 C ATOM 165 OD1 ASP A 12 -7.110 -3.114 30.616 1.00 0.00 O ATOM 166 OD2 ASP A 12 -6.291 -3.936 28.758 1.00 0.00 O ATOM 0 H ASP A 12 -10.779 -5.744 28.196 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.807 -3.273 29.456 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.598 -5.208 30.532 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -8.053 -5.709 28.944 1.00 0.00 H new ATOM 171 N LEU A 13 -8.519 -2.793 27.213 1.00 0.00 N ATOM 172 CA LEU A 13 -8.200 -2.372 25.859 1.00 0.00 C ATOM 173 C LEU A 13 -6.931 -1.536 25.817 1.00 0.00 C ATOM 174 O LEU A 13 -6.497 -0.980 26.832 1.00 0.00 O ATOM 175 CB LEU A 13 -9.383 -1.616 25.223 1.00 0.00 C ATOM 176 CG LEU A 13 -10.090 -0.561 26.091 1.00 0.00 C ATOM 177 CD1 LEU A 13 -9.230 0.682 26.280 1.00 0.00 C ATOM 178 CD2 LEU A 13 -11.423 -0.195 25.474 1.00 0.00 C ATOM 0 H LEU A 13 -8.091 -2.224 27.944 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.018 -3.271 25.271 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.023 -1.124 24.319 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -10.126 -2.351 24.912 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.257 -0.994 27.077 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -9.764 1.403 26.898 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -8.295 0.407 26.769 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -9.014 1.126 25.308 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -11.918 0.552 26.094 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -11.262 0.211 24.475 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -12.050 -1.084 25.408 1.00 0.00 H new ATOM 190 N GLY A 14 -6.321 -1.467 24.650 1.00 0.00 N ATOM 191 CA GLY A 14 -5.121 -0.678 24.480 1.00 0.00 C ATOM 192 C GLY A 14 -5.083 0.016 23.135 1.00 0.00 C ATOM 193 O GLY A 14 -4.087 -0.063 22.409 1.00 0.00 O ATOM 0 H GLY A 14 -6.637 -1.948 23.808 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -5.062 0.067 25.274 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.247 -1.322 24.581 1.00 0.00 H new ATOM 197 N ASP A 15 -6.178 0.686 22.791 1.00 0.00 N ATOM 198 CA ASP A 15 -6.294 1.411 21.524 1.00 0.00 C ATOM 199 C ASP A 15 -5.232 2.494 21.410 1.00 0.00 C ATOM 200 O ASP A 15 -4.857 3.129 22.400 1.00 0.00 O ATOM 201 CB ASP A 15 -7.686 2.037 21.382 1.00 0.00 C ATOM 202 CG ASP A 15 -8.782 1.008 21.222 1.00 0.00 C ATOM 203 OD1 ASP A 15 -9.083 0.631 20.072 1.00 0.00 O ATOM 204 OD2 ASP A 15 -9.355 0.568 22.248 1.00 0.00 O ATOM 0 H ASP A 15 -7.010 0.744 23.379 1.00 0.00 H new ATOM 0 HA ASP A 15 -6.143 0.690 20.720 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.895 2.649 22.260 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.692 2.704 20.520 1.00 0.00 H new ATOM 209 N LYS A 16 -4.747 2.718 20.204 1.00 0.00 N ATOM 210 CA LYS A 16 -3.711 3.711 19.974 1.00 0.00 C ATOM 211 C LYS A 16 -4.319 5.001 19.452 1.00 0.00 C ATOM 212 O LYS A 16 -5.365 4.990 18.799 1.00 0.00 O ATOM 213 CB LYS A 16 -2.663 3.179 18.990 1.00 0.00 C ATOM 214 CG LYS A 16 -2.068 1.836 19.393 1.00 0.00 C ATOM 215 CD LYS A 16 -1.481 1.880 20.795 1.00 0.00 C ATOM 216 CE LYS A 16 -0.957 0.519 21.219 1.00 0.00 C ATOM 217 NZ LYS A 16 -0.456 0.529 22.616 1.00 0.00 N ATOM 0 H LYS A 16 -5.054 2.225 19.365 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.218 3.919 20.924 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.119 3.083 18.005 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.859 3.910 18.899 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.839 1.067 19.345 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.292 1.554 18.682 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.672 2.610 20.830 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.243 2.214 21.500 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.751 -0.221 21.124 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.154 0.214 20.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.107 -0.418 22.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.319 1.217 22.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.228 0.795 23.260 1.00 0.00 H new ATOM 231 N LYS A 17 -3.670 6.113 19.736 1.00 0.00 N ATOM 232 CA LYS A 17 -4.168 7.409 19.314 1.00 0.00 C ATOM 233 C LYS A 17 -3.805 7.681 17.865 1.00 0.00 C ATOM 234 O LYS A 17 -2.812 7.162 17.345 1.00 0.00 O ATOM 235 CB LYS A 17 -3.607 8.519 20.202 1.00 0.00 C ATOM 236 CG LYS A 17 -2.123 8.795 19.987 1.00 0.00 C ATOM 237 CD LYS A 17 -1.624 9.895 20.903 1.00 0.00 C ATOM 238 CE LYS A 17 -2.335 11.208 20.632 1.00 0.00 C ATOM 239 NZ LYS A 17 -1.880 12.276 21.544 1.00 0.00 N ATOM 0 H LYS A 17 -2.795 6.146 20.258 1.00 0.00 H new ATOM 0 HA LYS A 17 -5.254 7.395 19.408 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.167 9.436 20.017 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.769 8.251 21.246 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.553 7.884 20.167 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -1.951 9.079 18.949 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.779 9.603 21.942 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.551 10.026 20.765 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.158 11.511 19.600 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.410 11.069 20.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.388 13.157 21.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.072 11.998 22.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.858 12.427 21.420 1.00 0.00 H new ATOM 253 N GLU A 18 -4.620 8.467 17.206 1.00 0.00 N ATOM 254 CA GLU A 18 -4.370 8.851 15.835 1.00 0.00 C ATOM 255 C GLU A 18 -3.559 10.146 15.775 1.00 0.00 C ATOM 256 O GLU A 18 -3.140 10.683 16.804 1.00 0.00 O ATOM 257 CB GLU A 18 -5.687 9.029 15.106 1.00 0.00 C ATOM 258 CG GLU A 18 -6.565 10.111 15.709 1.00 0.00 C ATOM 259 CD GLU A 18 -7.892 10.236 15.013 1.00 0.00 C ATOM 260 OE1 GLU A 18 -7.985 11.010 14.035 1.00 0.00 O ATOM 261 OE2 GLU A 18 -8.855 9.570 15.446 1.00 0.00 O ATOM 0 H GLU A 18 -5.474 8.859 17.602 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.793 8.063 15.352 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -5.487 9.273 14.063 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.230 8.084 15.114 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.732 9.892 16.764 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.042 11.066 15.660 1.00 0.00 H new ATOM 268 N GLY A 19 -3.348 10.655 14.572 1.00 0.00 N ATOM 269 CA GLY A 19 -2.592 11.871 14.416 1.00 0.00 C ATOM 270 C GLY A 19 -3.011 12.661 13.199 1.00 0.00 C ATOM 271 O GLY A 19 -4.101 13.224 13.157 1.00 0.00 O ATOM 0 H GLY A 19 -3.688 10.245 13.702 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.715 12.488 15.306 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.532 11.629 14.341 1.00 0.00 H new ATOM 275 N GLU A 20 -2.154 12.700 12.198 1.00 0.00 N ATOM 276 CA GLU A 20 -2.422 13.457 10.980 1.00 0.00 C ATOM 277 C GLU A 20 -2.564 12.515 9.796 1.00 0.00 C ATOM 278 O GLU A 20 -2.675 12.945 8.650 1.00 0.00 O ATOM 279 CB GLU A 20 -1.262 14.406 10.701 1.00 0.00 C ATOM 280 CG GLU A 20 -0.774 15.174 11.910 1.00 0.00 C ATOM 281 CD GLU A 20 0.502 15.925 11.626 1.00 0.00 C ATOM 282 OE1 GLU A 20 1.513 15.276 11.279 1.00 0.00 O ATOM 283 OE2 GLU A 20 0.506 17.163 11.747 1.00 0.00 O ATOM 0 H GLU A 20 -1.257 12.214 12.200 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.346 14.018 11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.431 13.832 10.291 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.568 15.117 9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -1.544 15.876 12.228 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.611 14.483 12.737 1.00 0.00 H new ATOM 290 N TYR A 21 -2.567 11.228 10.068 1.00 0.00 N ATOM 291 CA TYR A 21 -2.577 10.240 9.012 1.00 0.00 C ATOM 292 C TYR A 21 -3.988 9.857 8.584 1.00 0.00 C ATOM 293 O TYR A 21 -4.970 10.162 9.257 1.00 0.00 O ATOM 294 CB TYR A 21 -1.788 8.992 9.434 1.00 0.00 C ATOM 295 CG TYR A 21 -2.403 8.206 10.584 1.00 0.00 C ATOM 296 CD1 TYR A 21 -3.431 7.300 10.356 1.00 0.00 C ATOM 297 CD2 TYR A 21 -1.948 8.359 11.890 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.986 6.571 11.384 1.00 0.00 C ATOM 299 CE2 TYR A 21 -2.503 7.630 12.928 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.523 6.735 12.666 1.00 0.00 C ATOM 301 OH TYR A 21 -4.075 5.993 13.691 1.00 0.00 O ATOM 0 H TYR A 21 -2.563 10.842 11.012 1.00 0.00 H new ATOM 0 HA TYR A 21 -2.093 10.695 8.148 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -1.691 8.332 8.572 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.780 9.295 9.718 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.803 7.164 9.351 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.150 9.057 12.097 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -4.784 5.872 11.182 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -2.141 7.760 13.937 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.494 6.040 14.479 1.00 0.00 H new ATOM 311 N ILE A 22 -4.067 9.191 7.453 1.00 0.00 N ATOM 312 CA ILE A 22 -5.314 8.694 6.917 1.00 0.00 C ATOM 313 C ILE A 22 -5.249 7.183 6.809 1.00 0.00 C ATOM 314 O ILE A 22 -4.205 6.571 7.034 1.00 0.00 O ATOM 315 CB ILE A 22 -5.639 9.293 5.526 1.00 0.00 C ATOM 316 CG1 ILE A 22 -4.649 8.786 4.482 1.00 0.00 C ATOM 317 CG2 ILE A 22 -5.631 10.817 5.583 1.00 0.00 C ATOM 318 CD1 ILE A 22 -4.900 9.311 3.083 1.00 0.00 C ATOM 0 H ILE A 22 -3.256 8.977 6.873 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.108 8.997 7.600 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.638 8.969 5.236 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.641 9.065 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.686 7.697 4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.861 11.219 4.596 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.380 11.158 6.298 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.646 11.164 5.895 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.153 8.903 2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.894 9.009 2.754 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.833 10.399 3.085 1.00 0.00 H new ATOM 330 N LYS A 23 -6.348 6.579 6.490 1.00 0.00 N ATOM 331 CA LYS A 23 -6.409 5.141 6.368 1.00 0.00 C ATOM 332 C LYS A 23 -6.719 4.764 4.945 1.00 0.00 C ATOM 333 O LYS A 23 -7.464 5.452 4.274 1.00 0.00 O ATOM 334 CB LYS A 23 -7.495 4.580 7.272 1.00 0.00 C ATOM 335 CG LYS A 23 -7.342 4.942 8.737 1.00 0.00 C ATOM 336 CD LYS A 23 -8.566 4.514 9.530 1.00 0.00 C ATOM 337 CE LYS A 23 -9.791 5.349 9.169 1.00 0.00 C ATOM 338 NZ LYS A 23 -11.012 4.862 9.860 1.00 0.00 N ATOM 0 H LYS A 23 -7.230 7.057 6.306 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.444 4.728 6.661 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.463 4.938 6.921 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -7.504 3.494 7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.453 4.461 9.144 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.196 6.018 8.837 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.774 3.461 9.339 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.361 4.610 10.596 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.613 6.391 9.436 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.947 5.319 8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.823 5.454 9.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.196 3.876 9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -10.873 4.915 10.889 1.00 0.00 H new ATOM 352 N LEU A 24 -6.125 3.708 4.468 1.00 0.00 N ATOM 353 CA LEU A 24 -6.438 3.209 3.143 1.00 0.00 C ATOM 354 C LEU A 24 -6.578 1.707 3.165 1.00 0.00 C ATOM 355 O LEU A 24 -6.133 1.035 4.110 1.00 0.00 O ATOM 356 CB LEU A 24 -5.399 3.638 2.092 1.00 0.00 C ATOM 357 CG LEU A 24 -5.363 5.129 1.743 1.00 0.00 C ATOM 358 CD1 LEU A 24 -4.390 5.859 2.634 1.00 0.00 C ATOM 359 CD2 LEU A 24 -5.010 5.335 0.280 1.00 0.00 C ATOM 0 H LEU A 24 -5.419 3.170 4.971 1.00 0.00 H new ATOM 0 HA LEU A 24 -7.389 3.653 2.851 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.411 3.346 2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.586 3.077 1.177 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.358 5.541 1.911 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -4.379 6.917 2.371 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.695 5.747 3.674 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.392 5.441 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.991 6.402 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.029 4.904 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -5.756 4.847 -0.347 1.00 0.00 H new ATOM 371 N LYS A 25 -7.194 1.171 2.143 1.00 0.00 N ATOM 372 CA LYS A 25 -7.415 -0.246 2.056 1.00 0.00 C ATOM 373 C LYS A 25 -7.048 -0.757 0.685 1.00 0.00 C ATOM 374 O LYS A 25 -7.238 -0.082 -0.320 1.00 0.00 O ATOM 375 CB LYS A 25 -8.873 -0.564 2.395 1.00 0.00 C ATOM 376 CG LYS A 25 -9.209 -2.050 2.458 1.00 0.00 C ATOM 377 CD LYS A 25 -9.776 -2.573 1.144 1.00 0.00 C ATOM 378 CE LYS A 25 -11.075 -1.867 0.748 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.189 -2.159 1.679 1.00 0.00 N ATOM 0 H LYS A 25 -7.555 1.704 1.351 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.775 -0.753 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.114 -0.111 3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -9.515 -0.093 1.651 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.311 -2.612 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -9.930 -2.223 3.257 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.037 -2.439 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.959 -3.644 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.905 -0.791 0.718 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.358 -2.173 -0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.093 -1.924 1.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.178 -3.169 1.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.078 -1.589 2.542 1.00 0.00 H new ATOM 393 N VAL A 26 -6.500 -1.938 0.645 1.00 0.00 N ATOM 394 CA VAL A 26 -6.096 -2.550 -0.601 1.00 0.00 C ATOM 395 C VAL A 26 -6.911 -3.795 -0.885 1.00 0.00 C ATOM 396 O VAL A 26 -7.271 -4.539 0.030 1.00 0.00 O ATOM 397 CB VAL A 26 -4.569 -2.883 -0.588 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.274 -4.273 -1.155 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.801 -1.828 -1.364 1.00 0.00 C ATOM 0 H VAL A 26 -6.318 -2.508 1.471 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.283 -1.833 -1.401 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.244 -2.882 0.452 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.200 -4.458 -1.125 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.789 -5.026 -0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.622 -4.327 -2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.738 -2.068 -1.350 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.154 -1.806 -2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.959 -0.852 -0.905 1.00 0.00 H new ATOM 409 N ILE A 27 -7.219 -4.012 -2.148 1.00 0.00 N ATOM 410 CA ILE A 27 -7.904 -5.207 -2.563 1.00 0.00 C ATOM 411 C ILE A 27 -6.913 -6.072 -3.291 1.00 0.00 C ATOM 412 O ILE A 27 -6.394 -5.689 -4.337 1.00 0.00 O ATOM 413 CB ILE A 27 -9.106 -4.916 -3.495 1.00 0.00 C ATOM 414 CG1 ILE A 27 -10.167 -4.086 -2.768 1.00 0.00 C ATOM 415 CG2 ILE A 27 -9.710 -6.225 -4.010 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.761 -4.777 -1.562 1.00 0.00 C ATOM 0 H ILE A 27 -7.001 -3.366 -2.907 1.00 0.00 H new ATOM 0 HA ILE A 27 -8.303 -5.700 -1.676 1.00 0.00 H new ATOM 0 HB ILE A 27 -8.747 -4.339 -4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.723 -3.142 -2.452 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -10.967 -3.844 -3.467 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -10.554 -6.004 -4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -8.955 -6.780 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -10.052 -6.825 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.504 -4.127 -1.100 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -11.236 -5.708 -1.873 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -9.972 -4.995 -0.842 1.00 0.00 H new ATOM 428 N GLY A 28 -6.639 -7.230 -2.751 1.00 0.00 N ATOM 429 CA GLY A 28 -5.672 -8.082 -3.344 1.00 0.00 C ATOM 430 C GLY A 28 -6.264 -8.922 -4.438 1.00 0.00 C ATOM 431 O GLY A 28 -7.478 -8.916 -4.661 1.00 0.00 O ATOM 0 H GLY A 28 -7.076 -7.594 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.857 -7.481 -3.748 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.242 -8.730 -2.581 1.00 0.00 H new ATOM 435 N GLN A 29 -5.427 -9.668 -5.100 1.00 0.00 N ATOM 436 CA GLN A 29 -5.844 -10.542 -6.190 1.00 0.00 C ATOM 437 C GLN A 29 -6.664 -11.707 -5.650 1.00 0.00 C ATOM 438 O GLN A 29 -7.453 -12.322 -6.360 1.00 0.00 O ATOM 439 CB GLN A 29 -4.615 -11.050 -6.977 1.00 0.00 C ATOM 440 CG GLN A 29 -3.295 -10.826 -6.253 1.00 0.00 C ATOM 441 CD GLN A 29 -3.242 -11.542 -4.916 1.00 0.00 C ATOM 442 OE1 GLN A 29 -3.706 -12.672 -4.782 1.00 0.00 O ATOM 443 NE2 GLN A 29 -2.764 -10.853 -3.905 1.00 0.00 N ATOM 0 H GLN A 29 -4.426 -9.696 -4.907 1.00 0.00 H new ATOM 0 HA GLN A 29 -6.471 -9.971 -6.875 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -4.735 -12.115 -7.175 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.580 -10.548 -7.944 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -2.475 -11.174 -6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -3.146 -9.758 -6.097 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.387 -9.918 -4.058 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.769 -11.253 -2.967 1.00 0.00 H new ATOM 452 N ASP A 30 -6.480 -11.994 -4.373 1.00 0.00 N ATOM 453 CA ASP A 30 -7.210 -13.053 -3.709 1.00 0.00 C ATOM 454 C ASP A 30 -8.350 -12.446 -2.901 1.00 0.00 C ATOM 455 O ASP A 30 -8.949 -13.096 -2.044 1.00 0.00 O ATOM 456 CB ASP A 30 -6.267 -13.837 -2.795 1.00 0.00 C ATOM 457 CG ASP A 30 -6.778 -15.221 -2.477 1.00 0.00 C ATOM 458 OD1 ASP A 30 -6.733 -16.087 -3.370 1.00 0.00 O ATOM 459 OD2 ASP A 30 -7.203 -15.454 -1.333 1.00 0.00 O ATOM 0 H ASP A 30 -5.822 -11.499 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 30 -7.623 -13.737 -4.450 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.289 -13.916 -3.271 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.126 -13.284 -1.866 1.00 0.00 H new ATOM 464 N SER A 31 -8.632 -11.166 -3.178 1.00 0.00 N ATOM 465 CA SER A 31 -9.706 -10.410 -2.517 1.00 0.00 C ATOM 466 C SER A 31 -9.348 -10.090 -1.063 1.00 0.00 C ATOM 467 O SER A 31 -10.202 -9.710 -0.259 1.00 0.00 O ATOM 468 CB SER A 31 -11.039 -11.167 -2.595 1.00 0.00 C ATOM 469 OG SER A 31 -11.349 -11.511 -3.936 1.00 0.00 O ATOM 0 H SER A 31 -8.119 -10.622 -3.871 1.00 0.00 H new ATOM 0 HA SER A 31 -9.819 -9.465 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 31 -10.985 -12.070 -1.987 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.836 -10.551 -2.180 1.00 0.00 H new ATOM 0 HG SER A 31 -12.201 -11.994 -3.961 1.00 0.00 H new ATOM 475 N SER A 32 -8.079 -10.232 -0.731 1.00 0.00 N ATOM 476 CA SER A 32 -7.606 -9.946 0.605 1.00 0.00 C ATOM 477 C SER A 32 -7.602 -8.440 0.837 1.00 0.00 C ATOM 478 O SER A 32 -6.884 -7.701 0.159 1.00 0.00 O ATOM 479 CB SER A 32 -6.195 -10.526 0.801 1.00 0.00 C ATOM 480 OG SER A 32 -5.811 -10.499 2.168 1.00 0.00 O ATOM 0 H SER A 32 -7.354 -10.546 -1.376 1.00 0.00 H new ATOM 0 HA SER A 32 -8.273 -10.411 1.330 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.167 -11.552 0.433 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.480 -9.955 0.209 1.00 0.00 H new ATOM 0 HG SER A 32 -4.911 -10.875 2.262 1.00 0.00 H new ATOM 486 N GLU A 33 -8.440 -7.975 1.754 1.00 0.00 N ATOM 487 CA GLU A 33 -8.504 -6.562 2.065 1.00 0.00 C ATOM 488 C GLU A 33 -7.494 -6.211 3.130 1.00 0.00 C ATOM 489 O GLU A 33 -7.649 -6.569 4.298 1.00 0.00 O ATOM 490 CB GLU A 33 -9.895 -6.155 2.544 1.00 0.00 C ATOM 491 CG GLU A 33 -11.019 -6.474 1.579 1.00 0.00 C ATOM 492 CD GLU A 33 -12.314 -5.806 1.979 1.00 0.00 C ATOM 493 OE1 GLU A 33 -13.007 -6.323 2.879 1.00 0.00 O ATOM 494 OE2 GLU A 33 -12.639 -4.745 1.414 1.00 0.00 O ATOM 0 H GLU A 33 -9.082 -8.558 2.292 1.00 0.00 H new ATOM 0 HA GLU A 33 -8.278 -6.019 1.147 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.097 -6.653 3.492 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.897 -5.083 2.740 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -10.739 -6.151 0.576 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -11.166 -7.553 1.537 1.00 0.00 H new ATOM 501 N ILE A 34 -6.465 -5.516 2.747 1.00 0.00 N ATOM 502 CA ILE A 34 -5.453 -5.114 3.683 1.00 0.00 C ATOM 503 C ILE A 34 -5.719 -3.689 4.118 1.00 0.00 C ATOM 504 O ILE A 34 -6.078 -2.838 3.300 1.00 0.00 O ATOM 505 CB ILE A 34 -4.041 -5.220 3.070 1.00 0.00 C ATOM 506 CG1 ILE A 34 -3.808 -6.630 2.497 1.00 0.00 C ATOM 507 CG2 ILE A 34 -2.982 -4.888 4.115 1.00 0.00 C ATOM 508 CD1 ILE A 34 -3.846 -7.734 3.538 1.00 0.00 C ATOM 0 H ILE A 34 -6.302 -5.213 1.787 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.492 -5.783 4.543 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.962 -4.499 2.256 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.565 -6.833 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.841 -6.652 1.995 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.991 -4.967 3.667 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.136 -3.872 4.479 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.061 -5.587 4.948 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.673 -8.696 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.070 -7.558 4.283 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -4.821 -7.742 4.024 1.00 0.00 H new ATOM 520 N HIS A 35 -5.570 -3.418 5.396 1.00 0.00 N ATOM 521 CA HIS A 35 -5.817 -2.094 5.929 1.00 0.00 C ATOM 522 C HIS A 35 -4.523 -1.525 6.477 1.00 0.00 C ATOM 523 O HIS A 35 -3.755 -2.227 7.143 1.00 0.00 O ATOM 524 CB HIS A 35 -6.870 -2.137 7.039 1.00 0.00 C ATOM 525 CG HIS A 35 -8.265 -2.428 6.567 1.00 0.00 C ATOM 526 ND1 HIS A 35 -9.377 -1.849 7.125 1.00 0.00 N ATOM 527 CD2 HIS A 35 -8.727 -3.266 5.609 1.00 0.00 C ATOM 528 CE1 HIS A 35 -10.458 -2.314 6.541 1.00 0.00 C ATOM 529 NE2 HIS A 35 -10.095 -3.181 5.615 1.00 0.00 N ATOM 0 H HIS A 35 -5.276 -4.103 6.092 1.00 0.00 H new ATOM 0 HA HIS A 35 -6.193 -1.460 5.126 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -6.581 -2.896 7.766 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -6.869 -1.179 7.560 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -8.128 -3.887 4.960 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.473 -2.034 6.779 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -10.727 -3.701 5.006 1.00 0.00 H new ATOM 538 N PHE A 36 -4.263 -0.274 6.195 1.00 0.00 N ATOM 539 CA PHE A 36 -3.034 0.363 6.643 1.00 0.00 C ATOM 540 C PHE A 36 -3.251 1.830 6.933 1.00 0.00 C ATOM 541 O PHE A 36 -4.168 2.463 6.395 1.00 0.00 O ATOM 542 CB PHE A 36 -1.925 0.178 5.603 1.00 0.00 C ATOM 543 CG PHE A 36 -2.450 0.014 4.217 1.00 0.00 C ATOM 544 CD1 PHE A 36 -2.854 1.108 3.487 1.00 0.00 C ATOM 545 CD2 PHE A 36 -2.566 -1.245 3.656 1.00 0.00 C ATOM 546 CE1 PHE A 36 -3.363 0.948 2.218 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.076 -1.405 2.396 1.00 0.00 C ATOM 548 CZ PHE A 36 -3.474 -0.307 1.677 1.00 0.00 C ATOM 0 H PHE A 36 -4.882 0.332 5.656 1.00 0.00 H new ATOM 0 HA PHE A 36 -2.726 -0.118 7.571 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.258 1.039 5.634 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.329 -0.696 5.866 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.771 2.098 3.912 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.251 -2.111 4.218 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.675 1.811 1.649 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.165 -2.393 1.969 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.876 -0.431 0.682 1.00 0.00 H new ATOM 558 N LYS A 37 -2.410 2.373 7.778 1.00 0.00 N ATOM 559 CA LYS A 37 -2.499 3.759 8.168 1.00 0.00 C ATOM 560 C LYS A 37 -1.289 4.522 7.655 1.00 0.00 C ATOM 561 O LYS A 37 -0.156 4.272 8.080 1.00 0.00 O ATOM 562 CB LYS A 37 -2.576 3.861 9.686 1.00 0.00 C ATOM 563 CG LYS A 37 -3.779 3.157 10.287 1.00 0.00 C ATOM 564 CD LYS A 37 -3.755 3.228 11.799 1.00 0.00 C ATOM 565 CE LYS A 37 -5.051 2.721 12.395 1.00 0.00 C ATOM 566 NZ LYS A 37 -5.051 2.827 13.874 1.00 0.00 N ATOM 0 H LYS A 37 -1.642 1.865 8.216 1.00 0.00 H new ATOM 0 HA LYS A 37 -3.399 4.196 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.668 3.439 10.116 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.604 4.913 9.969 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.695 3.614 9.913 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.790 2.114 9.969 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.922 2.637 12.180 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.586 4.258 12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -5.886 3.291 11.989 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -5.204 1.682 12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.003 2.616 14.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.371 2.148 14.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.780 3.791 14.153 1.00 0.00 H new ATOM 580 N VAL A 38 -1.510 5.436 6.731 1.00 0.00 N ATOM 581 CA VAL A 38 -0.428 6.229 6.159 1.00 0.00 C ATOM 582 C VAL A 38 -0.835 7.695 6.089 1.00 0.00 C ATOM 583 O VAL A 38 -2.012 8.020 6.106 1.00 0.00 O ATOM 584 CB VAL A 38 -0.015 5.736 4.740 1.00 0.00 C ATOM 585 CG1 VAL A 38 0.430 4.278 4.772 1.00 0.00 C ATOM 586 CG2 VAL A 38 -1.148 5.922 3.750 1.00 0.00 C ATOM 0 H VAL A 38 -2.433 5.652 6.355 1.00 0.00 H new ATOM 0 HA VAL A 38 0.435 6.110 6.814 1.00 0.00 H new ATOM 0 HB VAL A 38 0.830 6.342 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.712 3.962 3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.285 4.173 5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -0.389 3.655 5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.834 5.570 2.767 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.016 5.351 4.079 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -1.409 6.979 3.691 1.00 0.00 H new ATOM 596 N LYS A 39 0.127 8.584 6.024 1.00 0.00 N ATOM 597 CA LYS A 39 -0.174 9.999 5.976 1.00 0.00 C ATOM 598 C LYS A 39 -0.322 10.473 4.523 1.00 0.00 C ATOM 599 O LYS A 39 0.078 9.780 3.595 1.00 0.00 O ATOM 600 CB LYS A 39 0.905 10.792 6.709 1.00 0.00 C ATOM 601 CG LYS A 39 0.501 12.211 7.007 1.00 0.00 C ATOM 602 CD LYS A 39 1.564 12.954 7.769 1.00 0.00 C ATOM 603 CE LYS A 39 1.211 14.423 7.878 1.00 0.00 C ATOM 604 NZ LYS A 39 2.181 15.172 8.715 1.00 0.00 N ATOM 0 H LYS A 39 1.121 8.357 6.003 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.125 10.173 6.479 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.146 10.286 7.644 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.814 10.799 6.107 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.294 12.732 6.072 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -0.424 12.211 7.583 1.00 0.00 H new ATOM 0 HD2 LYS A 39 1.672 12.525 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.525 12.841 7.267 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.179 14.862 6.881 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.212 14.524 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.092 16.190 8.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.985 14.991 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.147 14.861 8.489 1.00 0.00 H new ATOM 618 N MET A 40 -0.891 11.662 4.322 1.00 0.00 N ATOM 619 CA MET A 40 -1.123 12.185 2.975 1.00 0.00 C ATOM 620 C MET A 40 0.177 12.566 2.284 1.00 0.00 C ATOM 621 O MET A 40 0.338 12.364 1.081 1.00 0.00 O ATOM 622 CB MET A 40 -2.055 13.406 3.018 1.00 0.00 C ATOM 623 CG MET A 40 -3.507 13.083 3.351 1.00 0.00 C ATOM 624 SD MET A 40 -4.594 13.155 1.907 1.00 0.00 S ATOM 625 CE MET A 40 -3.774 12.020 0.798 1.00 0.00 C ATOM 0 H MET A 40 -1.199 12.280 5.073 1.00 0.00 H new ATOM 0 HA MET A 40 -1.595 11.387 2.402 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.675 14.111 3.757 1.00 0.00 H new ATOM 0 HB3 MET A 40 -2.020 13.908 2.051 1.00 0.00 H new ATOM 0 HG2 MET A 40 -3.561 12.087 3.790 1.00 0.00 H new ATOM 0 HG3 MET A 40 -3.866 13.784 4.105 1.00 0.00 H new ATOM 0 HE1 MET A 40 -4.245 12.066 -0.184 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.723 12.294 0.709 1.00 0.00 H new ATOM 0 HE3 MET A 40 -3.853 11.006 1.191 1.00 0.00 H new ATOM 635 N THR A 41 1.109 13.102 3.045 1.00 0.00 N ATOM 636 CA THR A 41 2.365 13.578 2.494 1.00 0.00 C ATOM 637 C THR A 41 3.488 12.535 2.638 1.00 0.00 C ATOM 638 O THR A 41 4.673 12.862 2.542 1.00 0.00 O ATOM 639 CB THR A 41 2.785 14.911 3.175 1.00 0.00 C ATOM 640 OG1 THR A 41 3.936 15.475 2.529 1.00 0.00 O ATOM 641 CG2 THR A 41 3.083 14.695 4.652 1.00 0.00 C ATOM 0 H THR A 41 1.021 13.220 4.054 1.00 0.00 H new ATOM 0 HA THR A 41 2.208 13.751 1.429 1.00 0.00 H new ATOM 0 HB THR A 41 1.951 15.606 3.081 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.575 14.762 2.319 1.00 0.00 H new ATOM 0 HG21 THR A 41 3.375 15.642 5.107 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.193 14.312 5.151 1.00 0.00 H new ATOM 0 HG23 THR A 41 3.896 13.976 4.758 1.00 0.00 H new ATOM 649 N THR A 42 3.126 11.280 2.849 1.00 0.00 N ATOM 650 CA THR A 42 4.123 10.234 2.971 1.00 0.00 C ATOM 651 C THR A 42 4.234 9.472 1.653 1.00 0.00 C ATOM 652 O THR A 42 3.391 9.622 0.765 1.00 0.00 O ATOM 653 CB THR A 42 3.791 9.245 4.120 1.00 0.00 C ATOM 654 OG1 THR A 42 4.978 8.539 4.513 1.00 0.00 O ATOM 655 CG2 THR A 42 2.739 8.234 3.682 1.00 0.00 C ATOM 0 H THR A 42 2.160 10.965 2.938 1.00 0.00 H new ATOM 0 HA THR A 42 5.074 10.710 3.209 1.00 0.00 H new ATOM 0 HB THR A 42 3.402 9.821 4.959 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.803 8.039 5.337 1.00 0.00 H new ATOM 0 HG21 THR A 42 2.524 7.553 4.505 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.827 8.758 3.397 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.112 7.667 2.829 1.00 0.00 H new ATOM 663 N HIS A 43 5.264 8.660 1.518 1.00 0.00 N ATOM 664 CA HIS A 43 5.459 7.889 0.305 1.00 0.00 C ATOM 665 C HIS A 43 4.619 6.623 0.310 1.00 0.00 C ATOM 666 O HIS A 43 4.471 5.951 1.332 1.00 0.00 O ATOM 667 CB HIS A 43 6.933 7.545 0.093 1.00 0.00 C ATOM 668 CG HIS A 43 7.754 8.675 -0.438 1.00 0.00 C ATOM 669 ND1 HIS A 43 9.116 8.767 -0.260 1.00 0.00 N ATOM 670 CD2 HIS A 43 7.402 9.755 -1.167 1.00 0.00 C ATOM 671 CE1 HIS A 43 9.563 9.852 -0.857 1.00 0.00 C ATOM 672 NE2 HIS A 43 8.543 10.468 -1.414 1.00 0.00 N ATOM 0 H HIS A 43 5.978 8.517 2.232 1.00 0.00 H new ATOM 0 HA HIS A 43 5.131 8.513 -0.526 1.00 0.00 H new ATOM 0 HB2 HIS A 43 7.358 7.216 1.041 1.00 0.00 H new ATOM 0 HB3 HIS A 43 7.003 6.704 -0.597 1.00 0.00 H new ATOM 0 HD2 HIS A 43 6.405 10.009 -1.494 1.00 0.00 H new ATOM 0 HE1 HIS A 43 10.592 10.180 -0.885 1.00 0.00 H new ATOM 0 HE2 HIS A 43 8.595 11.338 -1.945 1.00 0.00 H new ATOM 681 N LEU A 44 4.090 6.288 -0.853 1.00 0.00 N ATOM 682 CA LEU A 44 3.249 5.108 -1.043 1.00 0.00 C ATOM 683 C LEU A 44 4.098 3.851 -0.942 1.00 0.00 C ATOM 684 O LEU A 44 3.583 2.742 -0.814 1.00 0.00 O ATOM 685 CB LEU A 44 2.588 5.170 -2.431 1.00 0.00 C ATOM 686 CG LEU A 44 1.067 4.968 -2.499 1.00 0.00 C ATOM 687 CD1 LEU A 44 0.677 3.576 -2.059 1.00 0.00 C ATOM 688 CD2 LEU A 44 0.350 6.004 -1.665 1.00 0.00 C ATOM 0 H LEU A 44 4.231 6.830 -1.705 1.00 0.00 H new ATOM 0 HA LEU A 44 2.479 5.085 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.819 6.140 -2.871 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.057 4.414 -3.061 1.00 0.00 H new ATOM 0 HG LEU A 44 0.765 5.090 -3.539 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.406 3.466 -2.119 1.00 0.00 H new ATOM 0 HD12 LEU A 44 1.153 2.842 -2.709 1.00 0.00 H new ATOM 0 HD13 LEU A 44 1.002 3.415 -1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.726 5.841 -1.728 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.669 5.919 -0.626 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.589 7.000 -2.038 1.00 0.00 H new ATOM 700 N LYS A 45 5.410 4.035 -0.998 1.00 0.00 N ATOM 701 CA LYS A 45 6.360 2.942 -0.931 1.00 0.00 C ATOM 702 C LYS A 45 6.151 2.078 0.309 1.00 0.00 C ATOM 703 O LYS A 45 6.158 0.858 0.223 1.00 0.00 O ATOM 704 CB LYS A 45 7.793 3.480 -0.997 1.00 0.00 C ATOM 705 CG LYS A 45 8.165 4.443 0.126 1.00 0.00 C ATOM 706 CD LYS A 45 8.842 3.725 1.288 1.00 0.00 C ATOM 707 CE LYS A 45 10.178 3.136 0.878 1.00 0.00 C ATOM 708 NZ LYS A 45 10.710 2.210 1.910 1.00 0.00 N ATOM 0 H LYS A 45 5.844 4.953 -1.092 1.00 0.00 H new ATOM 0 HA LYS A 45 6.189 2.299 -1.794 1.00 0.00 H new ATOM 0 HB2 LYS A 45 8.484 2.637 -0.978 1.00 0.00 H new ATOM 0 HB3 LYS A 45 7.933 3.986 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.831 5.214 -0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.268 4.948 0.484 1.00 0.00 H new ATOM 0 HD2 LYS A 45 8.989 4.423 2.112 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.191 2.931 1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 45 10.066 2.603 -0.066 1.00 0.00 H new ATOM 0 HE3 LYS A 45 10.893 3.940 0.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 11.661 1.893 1.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 10.760 2.702 2.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 10.081 1.386 1.994 1.00 0.00 H new ATOM 722 N LYS A 46 5.932 2.709 1.459 1.00 0.00 N ATOM 723 CA LYS A 46 5.739 1.972 2.701 1.00 0.00 C ATOM 724 C LYS A 46 4.429 1.236 2.677 1.00 0.00 C ATOM 725 O LYS A 46 4.291 0.202 3.273 1.00 0.00 O ATOM 726 CB LYS A 46 5.815 2.909 3.920 1.00 0.00 C ATOM 727 CG LYS A 46 4.805 4.055 3.898 1.00 0.00 C ATOM 728 CD LYS A 46 4.915 4.935 5.141 1.00 0.00 C ATOM 729 CE LYS A 46 4.501 4.186 6.403 1.00 0.00 C ATOM 730 NZ LYS A 46 4.586 5.046 7.613 1.00 0.00 N ATOM 0 H LYS A 46 5.884 3.723 1.555 1.00 0.00 H new ATOM 0 HA LYS A 46 6.544 1.243 2.790 1.00 0.00 H new ATOM 0 HB2 LYS A 46 5.660 2.321 4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 46 6.820 3.327 3.980 1.00 0.00 H new ATOM 0 HG2 LYS A 46 4.965 4.663 3.008 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.796 3.648 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 46 5.941 5.287 5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.286 5.817 5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.481 3.820 6.289 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.140 3.313 6.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 4.296 4.499 8.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.565 5.375 7.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 3.957 5.866 7.501 1.00 0.00 H new ATOM 744 N LEU A 47 3.485 1.762 1.950 1.00 0.00 N ATOM 745 CA LEU A 47 2.169 1.180 1.851 1.00 0.00 C ATOM 746 C LEU A 47 2.198 -0.070 0.974 1.00 0.00 C ATOM 747 O LEU A 47 1.700 -1.130 1.362 1.00 0.00 O ATOM 748 CB LEU A 47 1.222 2.233 1.273 1.00 0.00 C ATOM 749 CG LEU A 47 -0.271 1.906 1.250 1.00 0.00 C ATOM 750 CD1 LEU A 47 -1.078 3.191 1.131 1.00 0.00 C ATOM 751 CD2 LEU A 47 -0.617 0.972 0.091 1.00 0.00 C ATOM 0 H LEU A 47 3.604 2.615 1.403 1.00 0.00 H new ATOM 0 HA LEU A 47 1.820 0.875 2.838 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.356 3.153 1.842 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.536 2.442 0.250 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.521 1.399 2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.141 2.953 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.863 3.836 1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.808 3.706 0.209 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.686 0.759 0.102 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.352 1.449 -0.852 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.060 0.041 0.195 1.00 0.00 H new ATOM 763 N LYS A 48 2.801 0.050 -0.202 1.00 0.00 N ATOM 764 CA LYS A 48 2.851 -1.051 -1.152 1.00 0.00 C ATOM 765 C LYS A 48 3.615 -2.240 -0.585 1.00 0.00 C ATOM 766 O LYS A 48 3.174 -3.389 -0.696 1.00 0.00 O ATOM 767 CB LYS A 48 3.411 -0.587 -2.522 1.00 0.00 C ATOM 768 CG LYS A 48 4.641 0.307 -2.432 1.00 0.00 C ATOM 769 CD LYS A 48 4.907 1.066 -3.736 1.00 0.00 C ATOM 770 CE LYS A 48 5.586 0.202 -4.783 1.00 0.00 C ATOM 771 NZ LYS A 48 6.976 -0.177 -4.394 1.00 0.00 N ATOM 0 H LYS A 48 3.263 0.902 -0.520 1.00 0.00 H new ATOM 0 HA LYS A 48 1.830 -1.390 -1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 48 3.660 -1.467 -3.115 1.00 0.00 H new ATOM 0 HB3 LYS A 48 2.627 -0.052 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.509 1.021 -1.619 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.511 -0.301 -2.184 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.964 1.440 -4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 48 5.531 1.935 -3.526 1.00 0.00 H new ATOM 0 HE2 LYS A 48 4.997 -0.701 -4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.611 0.738 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.653 0.267 -5.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 7.166 0.149 -3.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 7.079 -1.211 -4.438 1.00 0.00 H new ATOM 785 N GLU A 49 4.734 -1.977 0.058 1.00 0.00 N ATOM 786 CA GLU A 49 5.510 -3.043 0.668 1.00 0.00 C ATOM 787 C GLU A 49 4.786 -3.603 1.894 1.00 0.00 C ATOM 788 O GLU A 49 4.847 -4.800 2.175 1.00 0.00 O ATOM 789 CB GLU A 49 6.912 -2.560 1.056 1.00 0.00 C ATOM 790 CG GLU A 49 6.919 -1.344 1.964 1.00 0.00 C ATOM 791 CD GLU A 49 8.274 -1.082 2.577 1.00 0.00 C ATOM 792 OE1 GLU A 49 8.684 -1.851 3.465 1.00 0.00 O ATOM 793 OE2 GLU A 49 8.945 -0.098 2.174 1.00 0.00 O ATOM 0 H GLU A 49 5.126 -1.042 0.173 1.00 0.00 H new ATOM 0 HA GLU A 49 5.618 -3.838 -0.070 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.441 -3.374 1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 49 7.468 -2.326 0.148 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.607 -0.469 1.394 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.186 -1.485 2.759 1.00 0.00 H new ATOM 800 N SER A 50 4.067 -2.736 2.602 1.00 0.00 N ATOM 801 CA SER A 50 3.364 -3.129 3.810 1.00 0.00 C ATOM 802 C SER A 50 2.208 -4.078 3.527 1.00 0.00 C ATOM 803 O SER A 50 2.022 -5.063 4.235 1.00 0.00 O ATOM 804 CB SER A 50 2.885 -1.903 4.588 1.00 0.00 C ATOM 805 OG SER A 50 3.956 -1.320 5.314 1.00 0.00 O ATOM 0 H SER A 50 3.958 -1.752 2.354 1.00 0.00 H new ATOM 0 HA SER A 50 4.078 -3.674 4.428 1.00 0.00 H new ATOM 0 HB2 SER A 50 2.465 -1.170 3.899 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.088 -2.190 5.274 1.00 0.00 H new ATOM 0 HG SER A 50 4.430 -0.681 4.741 1.00 0.00 H new ATOM 811 N TYR A 51 1.441 -3.826 2.483 1.00 0.00 N ATOM 812 CA TYR A 51 0.317 -4.693 2.210 1.00 0.00 C ATOM 813 C TYR A 51 0.793 -5.998 1.582 1.00 0.00 C ATOM 814 O TYR A 51 0.221 -7.062 1.825 1.00 0.00 O ATOM 815 CB TYR A 51 -0.757 -4.003 1.347 1.00 0.00 C ATOM 816 CG TYR A 51 -0.531 -4.072 -0.145 1.00 0.00 C ATOM 817 CD1 TYR A 51 -0.920 -5.190 -0.867 1.00 0.00 C ATOM 818 CD2 TYR A 51 0.056 -3.026 -0.830 1.00 0.00 C ATOM 819 CE1 TYR A 51 -0.726 -5.267 -2.221 1.00 0.00 C ATOM 820 CE2 TYR A 51 0.255 -3.095 -2.196 1.00 0.00 C ATOM 821 CZ TYR A 51 -0.138 -4.219 -2.882 1.00 0.00 C ATOM 822 OH TYR A 51 0.058 -4.295 -4.234 1.00 0.00 O ATOM 0 H TYR A 51 1.570 -3.053 1.830 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.160 -4.926 3.162 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.724 -4.453 1.572 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -0.817 -2.955 1.640 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.385 -6.017 -0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.364 -2.142 -0.291 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.034 -6.148 -2.765 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.716 -2.271 -2.721 1.00 0.00 H new ATOM 0 HH TYR A 51 -0.580 -4.929 -4.622 1.00 0.00 H new ATOM 832 N CYS A 52 1.869 -5.928 0.788 1.00 0.00 N ATOM 833 CA CYS A 52 2.414 -7.118 0.148 1.00 0.00 C ATOM 834 C CYS A 52 2.888 -8.105 1.186 1.00 0.00 C ATOM 835 O CYS A 52 2.601 -9.307 1.109 1.00 0.00 O ATOM 836 CB CYS A 52 3.565 -6.760 -0.781 1.00 0.00 C ATOM 837 SG CYS A 52 3.073 -5.829 -2.243 1.00 0.00 S ATOM 0 H CYS A 52 2.371 -5.065 0.579 1.00 0.00 H new ATOM 0 HA CYS A 52 1.618 -7.572 -0.442 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.299 -6.178 -0.224 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.060 -7.678 -1.098 1.00 0.00 H new ATOM 0 HG CYS A 52 3.054 -4.560 -1.963 1.00 0.00 H new ATOM 843 N GLN A 53 3.593 -7.598 2.184 1.00 0.00 N ATOM 844 CA GLN A 53 4.115 -8.435 3.233 1.00 0.00 C ATOM 845 C GLN A 53 2.980 -9.017 4.077 1.00 0.00 C ATOM 846 O GLN A 53 3.079 -10.139 4.569 1.00 0.00 O ATOM 847 CB GLN A 53 5.105 -7.661 4.108 1.00 0.00 C ATOM 848 CG GLN A 53 4.479 -6.513 4.864 1.00 0.00 C ATOM 849 CD GLN A 53 5.467 -5.740 5.696 1.00 0.00 C ATOM 850 OE1 GLN A 53 6.644 -5.632 5.351 1.00 0.00 O ATOM 851 NE2 GLN A 53 4.996 -5.195 6.799 1.00 0.00 N ATOM 0 H GLN A 53 3.813 -6.607 2.283 1.00 0.00 H new ATOM 0 HA GLN A 53 4.652 -9.263 2.770 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.561 -8.348 4.821 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.908 -7.276 3.479 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.003 -5.836 4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 53 3.692 -6.900 5.512 1.00 0.00 H new ATOM 0 HE21 GLN A 53 4.013 -5.311 7.045 1.00 0.00 H new ATOM 0 HE22 GLN A 53 5.614 -4.657 7.407 1.00 0.00 H new ATOM 860 N ARG A 54 1.885 -8.247 4.257 1.00 0.00 N ATOM 861 CA ARG A 54 0.715 -8.739 4.996 1.00 0.00 C ATOM 862 C ARG A 54 0.193 -10.023 4.370 1.00 0.00 C ATOM 863 O ARG A 54 -0.113 -10.991 5.059 1.00 0.00 O ATOM 864 CB ARG A 54 -0.407 -7.692 4.995 1.00 0.00 C ATOM 865 CG ARG A 54 -0.099 -6.410 5.746 1.00 0.00 C ATOM 866 CD ARG A 54 -0.010 -6.621 7.246 1.00 0.00 C ATOM 867 NE ARG A 54 0.130 -5.341 7.942 1.00 0.00 N ATOM 868 CZ ARG A 54 0.198 -5.191 9.263 1.00 0.00 C ATOM 869 NH1 ARG A 54 0.155 -6.250 10.065 1.00 0.00 N ATOM 870 NH2 ARG A 54 0.310 -3.973 9.783 1.00 0.00 N ATOM 0 H ARG A 54 1.792 -7.295 3.903 1.00 0.00 H new ATOM 0 HA ARG A 54 1.026 -8.933 6.022 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.645 -7.440 3.962 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.301 -8.141 5.428 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.843 -5.998 5.384 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.872 -5.673 5.532 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.903 -7.137 7.599 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.841 -7.262 7.478 1.00 0.00 H new ATOM 0 HE ARG A 54 0.179 -4.498 7.370 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.069 -7.186 9.669 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.208 -6.126 11.076 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.343 -3.158 9.170 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.362 -3.853 10.795 1.00 0.00 H new ATOM 884 N GLN A 55 0.110 -10.026 3.048 1.00 0.00 N ATOM 885 CA GLN A 55 -0.380 -11.178 2.302 1.00 0.00 C ATOM 886 C GLN A 55 0.639 -12.304 2.286 1.00 0.00 C ATOM 887 O GLN A 55 0.298 -13.461 2.048 1.00 0.00 O ATOM 888 CB GLN A 55 -0.696 -10.766 0.877 1.00 0.00 C ATOM 889 CG GLN A 55 -1.888 -9.841 0.757 1.00 0.00 C ATOM 890 CD GLN A 55 -1.773 -8.896 -0.419 1.00 0.00 C ATOM 891 OE1 GLN A 55 -2.766 -8.562 -1.066 1.00 0.00 O ATOM 892 NE2 GLN A 55 -0.564 -8.429 -0.678 1.00 0.00 N ATOM 0 H GLN A 55 0.379 -9.235 2.463 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.281 -11.540 2.796 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.178 -10.275 0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.881 -11.661 0.283 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.796 -10.435 0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -1.989 -9.262 1.675 1.00 0.00 H new ATOM 0 HE21 GLN A 55 0.231 -8.733 -0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -0.426 -7.765 -1.440 1.00 0.00 H new ATOM 901 N GLY A 56 1.893 -11.968 2.531 1.00 0.00 N ATOM 902 CA GLY A 56 2.939 -12.969 2.533 1.00 0.00 C ATOM 903 C GLY A 56 3.380 -13.321 1.132 1.00 0.00 C ATOM 904 O GLY A 56 3.735 -14.464 0.848 1.00 0.00 O ATOM 0 H GLY A 56 2.208 -11.018 2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.793 -12.601 3.101 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.582 -13.867 3.038 1.00 0.00 H new ATOM 908 N VAL A 57 3.348 -12.343 0.240 1.00 0.00 N ATOM 909 CA VAL A 57 3.734 -12.559 -1.147 1.00 0.00 C ATOM 910 C VAL A 57 4.678 -11.455 -1.618 1.00 0.00 C ATOM 911 O VAL A 57 4.631 -10.326 -1.108 1.00 0.00 O ATOM 912 CB VAL A 57 2.497 -12.616 -2.089 1.00 0.00 C ATOM 913 CG1 VAL A 57 1.546 -13.728 -1.677 1.00 0.00 C ATOM 914 CG2 VAL A 57 1.775 -11.280 -2.122 1.00 0.00 C ATOM 0 H VAL A 57 3.058 -11.389 0.452 1.00 0.00 H new ATOM 0 HA VAL A 57 4.244 -13.521 -1.192 1.00 0.00 H new ATOM 0 HB VAL A 57 2.857 -12.833 -3.095 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.691 -13.744 -2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.064 -14.686 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.200 -13.552 -0.658 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.915 -11.348 -2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.437 -11.024 -1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.454 -10.508 -2.484 1.00 0.00 H new ATOM 924 N PRO A 58 5.562 -11.765 -2.576 1.00 0.00 N ATOM 925 CA PRO A 58 6.501 -10.791 -3.121 1.00 0.00 C ATOM 926 C PRO A 58 5.805 -9.723 -3.964 1.00 0.00 C ATOM 927 O PRO A 58 4.790 -9.978 -4.623 1.00 0.00 O ATOM 928 CB PRO A 58 7.441 -11.630 -3.981 1.00 0.00 C ATOM 929 CG PRO A 58 6.658 -12.844 -4.335 1.00 0.00 C ATOM 930 CD PRO A 58 5.728 -13.098 -3.186 1.00 0.00 C ATOM 0 HA PRO A 58 7.014 -10.240 -2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.751 -11.086 -4.873 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.348 -11.890 -3.436 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.101 -12.691 -5.259 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.317 -13.697 -4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.775 -13.506 -3.523 1.00 0.00 H new ATOM 0 HD3 PRO A 58 6.149 -13.813 -2.479 1.00 0.00 H new ATOM 938 N MET A 59 6.375 -8.530 -3.959 1.00 0.00 N ATOM 939 CA MET A 59 5.814 -7.378 -4.664 1.00 0.00 C ATOM 940 C MET A 59 5.951 -7.523 -6.178 1.00 0.00 C ATOM 941 O MET A 59 5.363 -6.767 -6.940 1.00 0.00 O ATOM 942 CB MET A 59 6.512 -6.098 -4.204 1.00 0.00 C ATOM 943 CG MET A 59 6.531 -5.922 -2.695 1.00 0.00 C ATOM 944 SD MET A 59 7.357 -4.404 -2.169 1.00 0.00 S ATOM 945 CE MET A 59 6.265 -3.163 -2.855 1.00 0.00 C ATOM 0 H MET A 59 7.244 -8.327 -3.465 1.00 0.00 H new ATOM 0 HA MET A 59 4.752 -7.326 -4.426 1.00 0.00 H new ATOM 0 HB2 MET A 59 7.537 -6.101 -4.574 1.00 0.00 H new ATOM 0 HB3 MET A 59 6.013 -5.240 -4.655 1.00 0.00 H new ATOM 0 HG2 MET A 59 5.507 -5.919 -2.323 1.00 0.00 H new ATOM 0 HG3 MET A 59 7.032 -6.777 -2.242 1.00 0.00 H new ATOM 0 HE1 MET A 59 6.529 -2.184 -2.454 1.00 0.00 H new ATOM 0 HE2 MET A 59 6.366 -3.149 -3.940 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.234 -3.398 -2.589 1.00 0.00 H new ATOM 955 N ASN A 60 6.728 -8.498 -6.609 1.00 0.00 N ATOM 956 CA ASN A 60 6.954 -8.729 -8.034 1.00 0.00 C ATOM 957 C ASN A 60 5.895 -9.653 -8.624 1.00 0.00 C ATOM 958 O ASN A 60 5.779 -9.797 -9.835 1.00 0.00 O ATOM 959 CB ASN A 60 8.366 -9.299 -8.272 1.00 0.00 C ATOM 960 CG ASN A 60 8.668 -10.538 -7.433 1.00 0.00 C ATOM 961 OD1 ASN A 60 7.788 -11.344 -7.140 1.00 0.00 O ATOM 962 ND2 ASN A 60 9.913 -10.685 -7.027 1.00 0.00 N ATOM 0 H ASN A 60 7.218 -9.148 -5.995 1.00 0.00 H new ATOM 0 HA ASN A 60 6.876 -7.769 -8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 60 8.476 -9.548 -9.327 1.00 0.00 H new ATOM 0 HB3 ASN A 60 9.104 -8.528 -8.048 1.00 0.00 H new ATOM 0 HD21 ASN A 60 10.170 -11.487 -6.451 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.619 -9.997 -7.288 1.00 0.00 H new ATOM 969 N SER A 61 5.124 -10.284 -7.764 1.00 0.00 N ATOM 970 CA SER A 61 4.089 -11.194 -8.194 1.00 0.00 C ATOM 971 C SER A 61 2.752 -10.484 -8.395 1.00 0.00 C ATOM 972 O SER A 61 1.871 -10.981 -9.096 1.00 0.00 O ATOM 973 CB SER A 61 3.933 -12.303 -7.169 1.00 0.00 C ATOM 974 OG SER A 61 5.111 -13.075 -7.073 1.00 0.00 O ATOM 0 H SER A 61 5.198 -10.180 -6.752 1.00 0.00 H new ATOM 0 HA SER A 61 4.388 -11.611 -9.156 1.00 0.00 H new ATOM 0 HB2 SER A 61 3.696 -11.873 -6.196 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.096 -12.944 -7.446 1.00 0.00 H new ATOM 0 HG SER A 61 5.893 -12.492 -7.165 1.00 0.00 H new ATOM 980 N LEU A 62 2.585 -9.333 -7.785 1.00 0.00 N ATOM 981 CA LEU A 62 1.327 -8.620 -7.887 1.00 0.00 C ATOM 982 C LEU A 62 1.486 -7.204 -8.432 1.00 0.00 C ATOM 983 O LEU A 62 2.579 -6.659 -8.480 1.00 0.00 O ATOM 984 CB LEU A 62 0.591 -8.631 -6.543 1.00 0.00 C ATOM 985 CG LEU A 62 1.429 -8.320 -5.304 1.00 0.00 C ATOM 986 CD1 LEU A 62 1.814 -6.852 -5.254 1.00 0.00 C ATOM 987 CD2 LEU A 62 0.674 -8.726 -4.056 1.00 0.00 C ATOM 0 H LEU A 62 3.296 -8.872 -7.217 1.00 0.00 H new ATOM 0 HA LEU A 62 0.718 -9.152 -8.618 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.223 -7.908 -6.594 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.138 -9.613 -6.410 1.00 0.00 H new ATOM 0 HG LEU A 62 2.353 -8.896 -5.358 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.410 -6.662 -4.361 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.397 -6.598 -6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.912 -6.240 -5.225 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.277 -8.501 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.264 -8.174 -4.003 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.465 -9.795 -4.089 1.00 0.00 H new ATOM 999 N ARG A 63 0.372 -6.621 -8.836 1.00 0.00 N ATOM 1000 CA ARG A 63 0.359 -5.284 -9.406 1.00 0.00 C ATOM 1001 C ARG A 63 -0.391 -4.331 -8.507 1.00 0.00 C ATOM 1002 O ARG A 63 -1.554 -4.554 -8.191 1.00 0.00 O ATOM 1003 CB ARG A 63 -0.310 -5.272 -10.784 1.00 0.00 C ATOM 1004 CG ARG A 63 0.195 -6.324 -11.742 1.00 0.00 C ATOM 1005 CD ARG A 63 0.539 -5.721 -13.092 1.00 0.00 C ATOM 1006 NE ARG A 63 1.762 -4.920 -13.030 1.00 0.00 N ATOM 1007 CZ ARG A 63 1.986 -3.814 -13.750 1.00 0.00 C ATOM 1008 NH1 ARG A 63 1.052 -3.355 -14.580 1.00 0.00 N ATOM 1009 NH2 ARG A 63 3.143 -3.169 -13.634 1.00 0.00 N ATOM 0 H ARG A 63 -0.548 -7.059 -8.779 1.00 0.00 H new ATOM 0 HA ARG A 63 1.398 -4.969 -9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -1.384 -5.406 -10.652 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -0.164 -4.290 -11.235 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.077 -6.808 -11.322 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.563 -7.097 -11.869 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.662 -6.518 -13.826 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -0.287 -5.098 -13.434 1.00 0.00 H new ATOM 0 HE ARG A 63 2.497 -5.226 -12.392 1.00 0.00 H new ATOM 0 HH11 ARG A 63 0.163 -3.846 -14.669 1.00 0.00 H new ATOM 0 HH12 ARG A 63 1.226 -2.512 -15.127 1.00 0.00 H new ATOM 0 HH21 ARG A 63 3.859 -3.517 -12.997 1.00 0.00 H new ATOM 0 HH22 ARG A 63 3.314 -2.326 -14.182 1.00 0.00 H new ATOM 1023 N PHE A 64 0.264 -3.277 -8.098 1.00 0.00 N ATOM 1024 CA PHE A 64 -0.366 -2.251 -7.293 1.00 0.00 C ATOM 1025 C PHE A 64 -0.659 -1.030 -8.140 1.00 0.00 C ATOM 1026 O PHE A 64 0.257 -0.361 -8.630 1.00 0.00 O ATOM 1027 CB PHE A 64 0.510 -1.879 -6.085 1.00 0.00 C ATOM 1028 CG PHE A 64 1.990 -2.127 -6.284 1.00 0.00 C ATOM 1029 CD1 PHE A 64 2.711 -1.429 -7.242 1.00 0.00 C ATOM 1030 CD2 PHE A 64 2.655 -3.064 -5.508 1.00 0.00 C ATOM 1031 CE1 PHE A 64 4.059 -1.665 -7.424 1.00 0.00 C ATOM 1032 CE2 PHE A 64 4.000 -3.301 -5.686 1.00 0.00 C ATOM 1033 CZ PHE A 64 4.704 -2.604 -6.644 1.00 0.00 C ATOM 0 H PHE A 64 1.246 -3.101 -8.310 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.308 -2.645 -6.911 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.359 -0.825 -5.853 1.00 0.00 H new ATOM 0 HB3 PHE A 64 0.172 -2.447 -5.218 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.211 -0.692 -7.853 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.112 -3.615 -4.755 1.00 0.00 H new ATOM 0 HE1 PHE A 64 4.608 -1.116 -8.175 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.504 -4.034 -5.074 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.758 -2.792 -6.784 1.00 0.00 H new ATOM 1043 N LEU A 65 -1.925 -0.738 -8.345 1.00 0.00 N ATOM 1044 CA LEU A 65 -2.289 0.394 -9.153 1.00 0.00 C ATOM 1045 C LEU A 65 -3.517 1.106 -8.610 1.00 0.00 C ATOM 1046 O LEU A 65 -4.254 0.578 -7.780 1.00 0.00 O ATOM 1047 CB LEU A 65 -2.471 -0.014 -10.653 1.00 0.00 C ATOM 1048 CG LEU A 65 -3.760 -0.761 -11.070 1.00 0.00 C ATOM 1049 CD1 LEU A 65 -4.068 -1.903 -10.137 1.00 0.00 C ATOM 1050 CD2 LEU A 65 -4.943 0.195 -11.190 1.00 0.00 C ATOM 0 H LEU A 65 -2.710 -1.267 -7.965 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.465 1.106 -9.105 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -2.407 0.894 -11.252 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.622 -0.639 -10.930 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.581 -1.189 -12.056 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -4.980 -2.403 -10.463 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.241 -2.614 -10.146 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -4.206 -1.520 -9.126 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.832 -0.362 -11.484 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.119 0.678 -10.229 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.724 0.953 -11.942 1.00 0.00 H new ATOM 1062 N PHE A 66 -3.734 2.298 -9.094 1.00 0.00 N ATOM 1063 CA PHE A 66 -4.863 3.100 -8.717 1.00 0.00 C ATOM 1064 C PHE A 66 -5.306 3.900 -9.918 1.00 0.00 C ATOM 1065 O PHE A 66 -4.476 4.449 -10.625 1.00 0.00 O ATOM 1066 CB PHE A 66 -4.509 4.024 -7.553 1.00 0.00 C ATOM 1067 CG PHE A 66 -5.628 4.926 -7.146 1.00 0.00 C ATOM 1068 CD1 PHE A 66 -6.650 4.456 -6.348 1.00 0.00 C ATOM 1069 CD2 PHE A 66 -5.656 6.243 -7.564 1.00 0.00 C ATOM 1070 CE1 PHE A 66 -7.682 5.283 -5.969 1.00 0.00 C ATOM 1071 CE2 PHE A 66 -6.683 7.078 -7.193 1.00 0.00 C ATOM 1072 CZ PHE A 66 -7.703 6.600 -6.393 1.00 0.00 C ATOM 0 H PHE A 66 -3.120 2.746 -9.774 1.00 0.00 H new ATOM 0 HA PHE A 66 -5.676 2.454 -8.385 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -4.211 3.419 -6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.647 4.630 -7.830 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.640 3.428 -6.017 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.861 6.621 -8.190 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.475 4.905 -5.341 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.693 8.105 -7.526 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.513 7.251 -6.100 1.00 0.00 H new ATOM 1082 N GLU A 67 -6.618 3.932 -10.159 1.00 0.00 N ATOM 1083 CA GLU A 67 -7.240 4.625 -11.312 1.00 0.00 C ATOM 1084 C GLU A 67 -6.572 4.247 -12.648 1.00 0.00 C ATOM 1085 O GLU A 67 -6.633 4.995 -13.624 1.00 0.00 O ATOM 1086 CB GLU A 67 -7.259 6.166 -11.138 1.00 0.00 C ATOM 1087 CG GLU A 67 -5.901 6.830 -11.250 1.00 0.00 C ATOM 1088 CD GLU A 67 -5.983 8.303 -11.559 1.00 0.00 C ATOM 1089 OE1 GLU A 67 -6.059 9.109 -10.616 1.00 0.00 O ATOM 1090 OE2 GLU A 67 -5.947 8.667 -12.756 1.00 0.00 O ATOM 0 H GLU A 67 -7.298 3.472 -9.554 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.274 4.280 -11.340 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.922 6.595 -11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.686 6.403 -10.163 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.358 6.691 -10.315 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -5.324 6.333 -12.030 1.00 0.00 H new ATOM 1097 N GLY A 68 -5.988 3.061 -12.716 1.00 0.00 N ATOM 1098 CA GLY A 68 -5.312 2.634 -13.928 1.00 0.00 C ATOM 1099 C GLY A 68 -3.863 3.083 -13.998 1.00 0.00 C ATOM 1100 O GLY A 68 -3.259 3.080 -15.067 1.00 0.00 O ATOM 0 H GLY A 68 -5.969 2.384 -11.954 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.352 1.547 -13.994 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.849 3.026 -14.792 1.00 0.00 H new ATOM 1104 N GLN A 69 -3.294 3.465 -12.869 1.00 0.00 N ATOM 1105 CA GLN A 69 -1.909 3.919 -12.830 1.00 0.00 C ATOM 1106 C GLN A 69 -1.133 3.087 -11.824 1.00 0.00 C ATOM 1107 O GLN A 69 -1.619 2.822 -10.729 1.00 0.00 O ATOM 1108 CB GLN A 69 -1.833 5.415 -12.438 1.00 0.00 C ATOM 1109 CG GLN A 69 -1.605 5.652 -10.944 1.00 0.00 C ATOM 1110 CD GLN A 69 -1.739 7.096 -10.533 1.00 0.00 C ATOM 1111 OE1 GLN A 69 -0.782 7.864 -10.596 1.00 0.00 O ATOM 1112 NE2 GLN A 69 -2.908 7.458 -10.058 1.00 0.00 N ATOM 0 H GLN A 69 -3.767 3.471 -11.965 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.474 3.800 -13.822 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.026 5.887 -12.998 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.759 5.907 -12.737 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.319 5.054 -10.377 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.609 5.298 -10.677 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -3.675 6.787 -10.025 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.049 8.411 -9.722 1.00 0.00 H new ATOM 1121 N ARG A 70 0.047 2.643 -12.188 1.00 0.00 N ATOM 1122 CA ARG A 70 0.867 1.877 -11.266 1.00 0.00 C ATOM 1123 C ARG A 70 1.386 2.773 -10.152 1.00 0.00 C ATOM 1124 O ARG A 70 1.637 3.971 -10.351 1.00 0.00 O ATOM 1125 CB ARG A 70 2.036 1.164 -11.988 1.00 0.00 C ATOM 1126 CG ARG A 70 3.189 2.072 -12.420 1.00 0.00 C ATOM 1127 CD ARG A 70 2.765 3.079 -13.472 1.00 0.00 C ATOM 1128 NE ARG A 70 2.237 2.432 -14.673 1.00 0.00 N ATOM 1129 CZ ARG A 70 1.383 3.008 -15.523 1.00 0.00 C ATOM 1130 NH1 ARG A 70 0.973 4.256 -15.318 1.00 0.00 N ATOM 1131 NH2 ARG A 70 0.953 2.341 -16.580 1.00 0.00 N ATOM 0 H ARG A 70 0.462 2.795 -13.107 1.00 0.00 H new ATOM 0 HA ARG A 70 0.238 1.101 -10.830 1.00 0.00 H new ATOM 0 HB2 ARG A 70 2.431 0.391 -11.329 1.00 0.00 H new ATOM 0 HB3 ARG A 70 1.643 0.659 -12.870 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.578 2.601 -11.550 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.002 1.461 -12.812 1.00 0.00 H new ATOM 0 HD2 ARG A 70 2.006 3.741 -13.054 1.00 0.00 H new ATOM 0 HD3 ARG A 70 3.618 3.702 -13.742 1.00 0.00 H new ATOM 0 HE ARG A 70 2.541 1.479 -14.874 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.311 4.777 -14.509 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.321 4.692 -15.970 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.273 1.387 -16.746 1.00 0.00 H new ATOM 0 HH22 ARG A 70 0.301 2.780 -17.230 1.00 0.00 H new ATOM 1145 N ILE A 71 1.527 2.217 -8.985 1.00 0.00 N ATOM 1146 CA ILE A 71 1.981 2.970 -7.845 1.00 0.00 C ATOM 1147 C ILE A 71 3.488 2.828 -7.685 1.00 0.00 C ATOM 1148 O ILE A 71 4.005 1.722 -7.555 1.00 0.00 O ATOM 1149 CB ILE A 71 1.294 2.496 -6.551 1.00 0.00 C ATOM 1150 CG1 ILE A 71 -0.229 2.358 -6.747 1.00 0.00 C ATOM 1151 CG2 ILE A 71 1.603 3.449 -5.422 1.00 0.00 C ATOM 1152 CD1 ILE A 71 -0.914 3.611 -7.262 1.00 0.00 C ATOM 0 H ILE A 71 1.333 1.234 -8.793 1.00 0.00 H new ATOM 0 HA ILE A 71 1.723 4.015 -8.019 1.00 0.00 H new ATOM 0 HB ILE A 71 1.685 1.511 -6.296 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.420 1.542 -7.444 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.681 2.077 -5.796 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.113 3.105 -4.511 1.00 0.00 H new ATOM 0 HG22 ILE A 71 2.681 3.486 -5.262 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.239 4.445 -5.676 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.982 3.423 -7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -0.758 4.427 -6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.494 3.884 -8.230 1.00 0.00 H new ATOM 1164 N ALA A 72 4.196 3.945 -7.687 1.00 0.00 N ATOM 1165 CA ALA A 72 5.629 3.922 -7.553 1.00 0.00 C ATOM 1166 C ALA A 72 6.018 4.215 -6.121 1.00 0.00 C ATOM 1167 O ALA A 72 5.195 4.680 -5.325 1.00 0.00 O ATOM 1168 CB ALA A 72 6.266 4.928 -8.498 1.00 0.00 C ATOM 0 H ALA A 72 3.794 4.878 -7.781 1.00 0.00 H new ATOM 0 HA ALA A 72 5.993 2.929 -7.817 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.350 4.898 -8.384 1.00 0.00 H new ATOM 0 HB2 ALA A 72 6.002 4.679 -9.526 1.00 0.00 H new ATOM 0 HB3 ALA A 72 5.904 5.929 -8.262 1.00 0.00 H new ATOM 1174 N ASP A 73 7.264 3.965 -5.791 1.00 0.00 N ATOM 1175 CA ASP A 73 7.762 4.170 -4.436 1.00 0.00 C ATOM 1176 C ASP A 73 7.788 5.642 -4.077 1.00 0.00 C ATOM 1177 O ASP A 73 7.680 6.017 -2.909 1.00 0.00 O ATOM 1178 CB ASP A 73 9.163 3.578 -4.287 1.00 0.00 C ATOM 1179 CG ASP A 73 9.186 2.088 -4.503 1.00 0.00 C ATOM 1180 OD1 ASP A 73 9.242 1.655 -5.665 1.00 0.00 O ATOM 1181 OD2 ASP A 73 9.137 1.340 -3.513 1.00 0.00 O ATOM 0 H ASP A 73 7.964 3.615 -6.445 1.00 0.00 H new ATOM 0 HA ASP A 73 7.082 3.661 -3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.834 4.056 -5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 73 9.545 3.803 -3.291 1.00 0.00 H new ATOM 1186 N ASN A 74 7.899 6.486 -5.082 1.00 0.00 N ATOM 1187 CA ASN A 74 7.982 7.917 -4.858 1.00 0.00 C ATOM 1188 C ASN A 74 6.617 8.551 -5.031 1.00 0.00 C ATOM 1189 O ASN A 74 6.465 9.765 -4.962 1.00 0.00 O ATOM 1190 CB ASN A 74 8.975 8.557 -5.830 1.00 0.00 C ATOM 1191 CG ASN A 74 10.266 7.790 -5.911 1.00 0.00 C ATOM 1192 OD1 ASN A 74 11.214 8.057 -5.173 1.00 0.00 O ATOM 1193 ND2 ASN A 74 10.313 6.829 -6.812 1.00 0.00 N ATOM 0 H ASN A 74 7.934 6.207 -6.063 1.00 0.00 H new ATOM 0 HA ASN A 74 8.330 8.086 -3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.525 8.613 -6.821 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.181 9.580 -5.515 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.160 6.271 -6.919 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.502 6.643 -7.402 1.00 0.00 H new ATOM 1200 N HIS A 75 5.611 7.720 -5.241 1.00 0.00 N ATOM 1201 CA HIS A 75 4.252 8.214 -5.405 1.00 0.00 C ATOM 1202 C HIS A 75 3.637 8.425 -4.046 1.00 0.00 C ATOM 1203 O HIS A 75 3.958 7.716 -3.107 1.00 0.00 O ATOM 1204 CB HIS A 75 3.389 7.240 -6.227 1.00 0.00 C ATOM 1205 CG HIS A 75 3.294 7.581 -7.688 1.00 0.00 C ATOM 1206 ND1 HIS A 75 2.640 6.785 -8.613 1.00 0.00 N ATOM 1207 CD2 HIS A 75 3.754 8.649 -8.380 1.00 0.00 C ATOM 1208 CE1 HIS A 75 2.710 7.349 -9.802 1.00 0.00 C ATOM 1209 NE2 HIS A 75 3.379 8.479 -9.689 1.00 0.00 N ATOM 0 H HIS A 75 5.706 6.706 -5.302 1.00 0.00 H new ATOM 0 HA HIS A 75 4.292 9.157 -5.950 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.799 6.235 -6.126 1.00 0.00 H new ATOM 0 HB3 HIS A 75 2.384 7.218 -5.805 1.00 0.00 H new ATOM 0 HD2 HIS A 75 4.313 9.481 -7.977 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.290 6.952 -10.715 1.00 0.00 H new ATOM 0 HE2 HIS A 75 3.585 9.124 -10.452 1.00 0.00 H new ATOM 1218 N THR A 76 2.797 9.422 -3.915 1.00 0.00 N ATOM 1219 CA THR A 76 2.138 9.687 -2.641 1.00 0.00 C ATOM 1220 C THR A 76 0.629 9.667 -2.802 1.00 0.00 C ATOM 1221 O THR A 76 0.115 9.839 -3.917 1.00 0.00 O ATOM 1222 CB THR A 76 2.563 11.053 -2.055 1.00 0.00 C ATOM 1223 OG1 THR A 76 2.074 12.105 -2.877 1.00 0.00 O ATOM 1224 CG2 THR A 76 4.068 11.156 -1.974 1.00 0.00 C ATOM 0 H THR A 76 2.548 10.066 -4.666 1.00 0.00 H new ATOM 0 HA THR A 76 2.444 8.899 -1.954 1.00 0.00 H new ATOM 0 HB THR A 76 2.144 11.137 -1.052 1.00 0.00 H new ATOM 0 HG1 THR A 76 2.219 12.964 -2.429 1.00 0.00 H new ATOM 0 HG21 THR A 76 4.345 12.125 -1.559 1.00 0.00 H new ATOM 0 HG22 THR A 76 4.453 10.363 -1.333 1.00 0.00 H new ATOM 0 HG23 THR A 76 4.494 11.054 -2.972 1.00 0.00 H new ATOM 1232 N PRO A 77 -0.109 9.457 -1.699 1.00 0.00 N ATOM 1233 CA PRO A 77 -1.566 9.436 -1.723 1.00 0.00 C ATOM 1234 C PRO A 77 -2.139 10.768 -2.195 1.00 0.00 C ATOM 1235 O PRO A 77 -3.083 10.809 -2.975 1.00 0.00 O ATOM 1236 CB PRO A 77 -1.957 9.185 -0.260 1.00 0.00 C ATOM 1237 CG PRO A 77 -0.743 8.613 0.380 1.00 0.00 C ATOM 1238 CD PRO A 77 0.424 9.207 -0.342 1.00 0.00 C ATOM 0 HA PRO A 77 -1.950 8.682 -2.410 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.261 10.110 0.230 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.799 8.496 -0.191 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -0.710 8.857 1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.737 7.526 0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.765 10.127 0.132 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.274 8.525 -0.363 1.00 0.00 H new ATOM 1246 N LYS A 78 -1.543 11.867 -1.745 1.00 0.00 N ATOM 1247 CA LYS A 78 -2.032 13.194 -2.094 1.00 0.00 C ATOM 1248 C LYS A 78 -1.799 13.491 -3.572 1.00 0.00 C ATOM 1249 O LYS A 78 -2.629 14.116 -4.230 1.00 0.00 O ATOM 1250 CB LYS A 78 -1.365 14.270 -1.236 1.00 0.00 C ATOM 1251 CG LYS A 78 0.126 14.375 -1.459 1.00 0.00 C ATOM 1252 CD LYS A 78 0.612 15.794 -1.294 1.00 0.00 C ATOM 1253 CE LYS A 78 1.968 15.968 -1.939 1.00 0.00 C ATOM 1254 NZ LYS A 78 2.411 17.385 -1.926 1.00 0.00 N ATOM 0 H LYS A 78 -0.722 11.864 -1.139 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.104 13.209 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.826 15.234 -1.452 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -1.554 14.054 -0.184 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.647 13.727 -0.754 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.371 14.020 -2.460 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.102 16.484 -1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.672 16.043 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.700 15.354 -1.415 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.929 15.609 -2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.345 17.461 -2.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.726 17.968 -2.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.473 17.720 -0.943 1.00 0.00 H new ATOM 1268 N GLU A 79 -0.674 13.025 -4.103 1.00 0.00 N ATOM 1269 CA GLU A 79 -0.334 13.257 -5.493 1.00 0.00 C ATOM 1270 C GLU A 79 -1.250 12.469 -6.405 1.00 0.00 C ATOM 1271 O GLU A 79 -1.691 12.966 -7.442 1.00 0.00 O ATOM 1272 CB GLU A 79 1.115 12.871 -5.768 1.00 0.00 C ATOM 1273 CG GLU A 79 2.151 13.858 -5.254 1.00 0.00 C ATOM 1274 CD GLU A 79 2.060 15.210 -5.906 1.00 0.00 C ATOM 1275 OE1 GLU A 79 2.361 15.314 -7.111 1.00 0.00 O ATOM 1276 OE2 GLU A 79 1.723 16.185 -5.211 1.00 0.00 O ATOM 0 H GLU A 79 0.018 12.483 -3.585 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.460 14.321 -5.694 1.00 0.00 H new ATOM 0 HB2 GLU A 79 1.308 11.897 -5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 79 1.247 12.756 -6.844 1.00 0.00 H new ATOM 0 HG2 GLU A 79 2.030 13.973 -4.177 1.00 0.00 H new ATOM 0 HG3 GLU A 79 3.147 13.448 -5.421 1.00 0.00 H new ATOM 1283 N LEU A 80 -1.550 11.235 -6.024 1.00 0.00 N ATOM 1284 CA LEU A 80 -2.406 10.387 -6.843 1.00 0.00 C ATOM 1285 C LEU A 80 -3.878 10.742 -6.640 1.00 0.00 C ATOM 1286 O LEU A 80 -4.760 10.232 -7.333 1.00 0.00 O ATOM 1287 CB LEU A 80 -2.162 8.895 -6.554 1.00 0.00 C ATOM 1288 CG LEU A 80 -0.695 8.415 -6.608 1.00 0.00 C ATOM 1289 CD1 LEU A 80 -0.616 6.932 -6.901 1.00 0.00 C ATOM 1290 CD2 LEU A 80 0.110 9.194 -7.624 1.00 0.00 C ATOM 0 H LEU A 80 -1.218 10.802 -5.162 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.149 10.570 -7.886 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.559 8.670 -5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.739 8.310 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 80 -0.262 8.597 -5.624 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.429 6.623 -6.933 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.135 6.378 -6.118 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.085 6.726 -7.863 1.00 0.00 H new ATOM 0 HD21 LEU A 80 1.137 8.828 -7.633 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.330 9.065 -8.613 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.104 10.251 -7.359 1.00 0.00 H new ATOM 1302 N GLY A 81 -4.137 11.625 -5.689 1.00 0.00 N ATOM 1303 CA GLY A 81 -5.494 12.075 -5.437 1.00 0.00 C ATOM 1304 C GLY A 81 -6.295 11.100 -4.602 1.00 0.00 C ATOM 1305 O GLY A 81 -7.444 10.794 -4.916 1.00 0.00 O ATOM 0 H GLY A 81 -3.430 12.041 -5.083 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -5.463 13.039 -4.930 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.001 12.232 -6.389 1.00 0.00 H new ATOM 1309 N MET A 82 -5.694 10.597 -3.543 1.00 0.00 N ATOM 1310 CA MET A 82 -6.359 9.678 -2.638 1.00 0.00 C ATOM 1311 C MET A 82 -6.781 10.414 -1.377 1.00 0.00 C ATOM 1312 O MET A 82 -6.295 11.512 -1.093 1.00 0.00 O ATOM 1313 CB MET A 82 -5.413 8.539 -2.263 1.00 0.00 C ATOM 1314 CG MET A 82 -4.940 7.709 -3.440 1.00 0.00 C ATOM 1315 SD MET A 82 -3.615 6.571 -2.987 1.00 0.00 S ATOM 1316 CE MET A 82 -3.235 5.846 -4.574 1.00 0.00 C ATOM 0 H MET A 82 -4.731 10.813 -3.284 1.00 0.00 H new ATOM 0 HA MET A 82 -7.239 9.269 -3.135 1.00 0.00 H new ATOM 0 HB2 MET A 82 -4.544 8.956 -1.755 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.915 7.885 -1.550 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.780 7.143 -3.844 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.592 8.372 -4.232 1.00 0.00 H new ATOM 0 HE1 MET A 82 -2.201 5.501 -4.578 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.900 5.002 -4.757 1.00 0.00 H new ATOM 0 HE3 MET A 82 -3.372 6.592 -5.357 1.00 0.00 H new ATOM 1326 N GLU A 83 -7.675 9.822 -0.621 1.00 0.00 N ATOM 1327 CA GLU A 83 -8.145 10.416 0.620 1.00 0.00 C ATOM 1328 C GLU A 83 -8.228 9.354 1.707 1.00 0.00 C ATOM 1329 O GLU A 83 -7.787 8.221 1.518 1.00 0.00 O ATOM 1330 CB GLU A 83 -9.521 11.045 0.403 1.00 0.00 C ATOM 1331 CG GLU A 83 -10.568 10.048 -0.071 1.00 0.00 C ATOM 1332 CD GLU A 83 -11.893 10.691 -0.381 1.00 0.00 C ATOM 1333 OE1 GLU A 83 -12.075 11.157 -1.520 1.00 0.00 O ATOM 1334 OE2 GLU A 83 -12.765 10.728 0.509 1.00 0.00 O ATOM 0 H GLU A 83 -8.098 8.921 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.443 11.189 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.857 11.499 1.335 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -9.435 11.848 -0.330 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -10.200 9.539 -0.962 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.710 9.286 0.696 1.00 0.00 H new ATOM 1341 N GLU A 84 -8.787 9.714 2.852 1.00 0.00 N ATOM 1342 CA GLU A 84 -8.957 8.764 3.930 1.00 0.00 C ATOM 1343 C GLU A 84 -10.028 7.753 3.552 1.00 0.00 C ATOM 1344 O GLU A 84 -11.013 8.096 2.899 1.00 0.00 O ATOM 1345 CB GLU A 84 -9.323 9.477 5.240 1.00 0.00 C ATOM 1346 CG GLU A 84 -10.630 10.246 5.177 1.00 0.00 C ATOM 1347 CD GLU A 84 -10.918 11.022 6.441 1.00 0.00 C ATOM 1348 OE1 GLU A 84 -10.318 12.100 6.631 1.00 0.00 O ATOM 1349 OE2 GLU A 84 -11.749 10.562 7.245 1.00 0.00 O ATOM 0 H GLU A 84 -9.128 10.654 3.054 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.013 8.243 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.386 8.738 6.039 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -8.520 10.165 5.504 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -10.600 10.935 4.333 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -11.447 9.549 4.991 1.00 0.00 H new ATOM 1356 N GLU A 85 -9.804 6.500 3.923 1.00 0.00 N ATOM 1357 CA GLU A 85 -10.726 5.388 3.649 1.00 0.00 C ATOM 1358 C GLU A 85 -10.683 4.976 2.153 1.00 0.00 C ATOM 1359 O GLU A 85 -11.416 4.080 1.717 1.00 0.00 O ATOM 1360 CB GLU A 85 -12.165 5.734 4.094 1.00 0.00 C ATOM 1361 CG GLU A 85 -13.126 4.554 4.088 1.00 0.00 C ATOM 1362 CD GLU A 85 -14.533 4.949 4.459 1.00 0.00 C ATOM 1363 OE1 GLU A 85 -15.299 5.351 3.559 1.00 0.00 O ATOM 1364 OE2 GLU A 85 -14.885 4.862 5.649 1.00 0.00 O ATOM 0 H GLU A 85 -8.966 6.215 4.431 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.395 4.531 4.236 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.130 6.154 5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -12.558 6.511 3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -13.130 4.099 3.098 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -12.769 3.796 4.786 1.00 0.00 H new ATOM 1371 N ASP A 86 -9.820 5.634 1.364 1.00 0.00 N ATOM 1372 CA ASP A 86 -9.684 5.311 -0.065 1.00 0.00 C ATOM 1373 C ASP A 86 -9.163 3.893 -0.256 1.00 0.00 C ATOM 1374 O ASP A 86 -8.586 3.292 0.659 1.00 0.00 O ATOM 1375 CB ASP A 86 -8.759 6.297 -0.778 1.00 0.00 C ATOM 1376 CG ASP A 86 -9.197 6.569 -2.206 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -9.236 5.626 -3.018 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -9.519 7.734 -2.517 1.00 0.00 O ATOM 0 H ASP A 86 -9.211 6.386 1.687 1.00 0.00 H new ATOM 0 HA ASP A 86 -10.678 5.388 -0.506 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.734 7.235 -0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.743 5.902 -0.781 1.00 0.00 H new ATOM 1383 N VAL A 87 -9.343 3.357 -1.439 1.00 0.00 N ATOM 1384 CA VAL A 87 -8.964 1.993 -1.718 1.00 0.00 C ATOM 1385 C VAL A 87 -8.073 1.901 -2.958 1.00 0.00 C ATOM 1386 O VAL A 87 -8.262 2.624 -3.942 1.00 0.00 O ATOM 1387 CB VAL A 87 -10.223 1.107 -1.920 1.00 0.00 C ATOM 1388 CG1 VAL A 87 -11.063 1.616 -3.084 1.00 0.00 C ATOM 1389 CG2 VAL A 87 -9.837 -0.349 -2.126 1.00 0.00 C ATOM 0 H VAL A 87 -9.754 3.851 -2.231 1.00 0.00 H new ATOM 0 HA VAL A 87 -8.399 1.631 -0.859 1.00 0.00 H new ATOM 0 HB VAL A 87 -10.827 1.169 -1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.939 0.979 -3.206 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.382 2.638 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.469 1.595 -3.998 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.737 -0.948 -2.265 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.203 -0.436 -3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.293 -0.708 -1.252 1.00 0.00 H new ATOM 1399 N ILE A 88 -7.108 1.007 -2.910 1.00 0.00 N ATOM 1400 CA ILE A 88 -6.203 0.786 -4.019 1.00 0.00 C ATOM 1401 C ILE A 88 -6.462 -0.603 -4.598 1.00 0.00 C ATOM 1402 O ILE A 88 -6.912 -1.510 -3.883 1.00 0.00 O ATOM 1403 CB ILE A 88 -4.716 0.921 -3.578 1.00 0.00 C ATOM 1404 CG1 ILE A 88 -4.514 2.219 -2.797 1.00 0.00 C ATOM 1405 CG2 ILE A 88 -3.777 0.878 -4.773 1.00 0.00 C ATOM 1406 CD1 ILE A 88 -4.544 2.036 -1.300 1.00 0.00 C ATOM 0 H ILE A 88 -6.928 0.413 -2.101 1.00 0.00 H new ATOM 0 HA ILE A 88 -6.385 1.546 -4.779 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.479 0.074 -2.934 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -3.558 2.659 -3.081 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -5.290 2.929 -3.083 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.747 0.975 -4.430 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.898 -0.070 -5.296 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -4.012 1.699 -5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -4.394 2.999 -0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -5.509 1.625 -1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.751 1.351 -1.001 1.00 0.00 H new ATOM 1418 N GLU A 89 -6.174 -0.786 -5.870 1.00 0.00 N ATOM 1419 CA GLU A 89 -6.465 -2.036 -6.539 1.00 0.00 C ATOM 1420 C GLU A 89 -5.187 -2.833 -6.758 1.00 0.00 C ATOM 1421 O GLU A 89 -4.142 -2.275 -7.108 1.00 0.00 O ATOM 1422 CB GLU A 89 -7.148 -1.761 -7.876 1.00 0.00 C ATOM 1423 CG GLU A 89 -7.555 -3.012 -8.623 1.00 0.00 C ATOM 1424 CD GLU A 89 -8.699 -3.742 -7.970 1.00 0.00 C ATOM 1425 OE1 GLU A 89 -8.473 -4.443 -6.972 1.00 0.00 O ATOM 1426 OE2 GLU A 89 -9.842 -3.625 -8.459 1.00 0.00 O ATOM 0 H GLU A 89 -5.737 -0.081 -6.463 1.00 0.00 H new ATOM 0 HA GLU A 89 -7.134 -2.623 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -8.033 -1.149 -7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -6.475 -1.177 -8.504 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.836 -2.745 -9.642 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.698 -3.681 -8.694 1.00 0.00 H new ATOM 1433 N VAL A 90 -5.246 -4.128 -6.520 1.00 0.00 N ATOM 1434 CA VAL A 90 -4.105 -4.988 -6.709 1.00 0.00 C ATOM 1435 C VAL A 90 -4.471 -6.191 -7.570 1.00 0.00 C ATOM 1436 O VAL A 90 -5.517 -6.815 -7.385 1.00 0.00 O ATOM 1437 CB VAL A 90 -3.557 -5.477 -5.352 1.00 0.00 C ATOM 1438 CG1 VAL A 90 -2.362 -6.404 -5.538 1.00 0.00 C ATOM 1439 CG2 VAL A 90 -3.188 -4.291 -4.479 1.00 0.00 C ATOM 0 H VAL A 90 -6.084 -4.608 -6.192 1.00 0.00 H new ATOM 0 HA VAL A 90 -3.334 -4.408 -7.216 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.341 -6.048 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -2.000 -6.731 -4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -2.663 -7.273 -6.123 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -1.567 -5.872 -6.061 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -2.803 -4.648 -3.524 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.424 -3.695 -4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.072 -3.677 -4.307 1.00 0.00 H new ATOM 1449 N TYR A 91 -3.614 -6.513 -8.511 1.00 0.00 N ATOM 1450 CA TYR A 91 -3.824 -7.644 -9.392 1.00 0.00 C ATOM 1451 C TYR A 91 -2.654 -8.608 -9.296 1.00 0.00 C ATOM 1452 O TYR A 91 -1.696 -8.355 -8.579 1.00 0.00 O ATOM 1453 CB TYR A 91 -3.994 -7.176 -10.833 1.00 0.00 C ATOM 1454 CG TYR A 91 -5.271 -6.416 -11.090 1.00 0.00 C ATOM 1455 CD1 TYR A 91 -6.458 -7.087 -11.345 1.00 0.00 C ATOM 1456 CD2 TYR A 91 -5.287 -5.031 -11.096 1.00 0.00 C ATOM 1457 CE1 TYR A 91 -7.626 -6.397 -11.593 1.00 0.00 C ATOM 1458 CE2 TYR A 91 -6.450 -4.336 -11.349 1.00 0.00 C ATOM 1459 CZ TYR A 91 -7.617 -5.023 -11.596 1.00 0.00 C ATOM 1460 OH TYR A 91 -8.780 -4.327 -11.845 1.00 0.00 O ATOM 0 H TYR A 91 -2.751 -6.000 -8.689 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.734 -8.157 -9.082 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -3.148 -6.543 -11.100 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -3.962 -8.044 -11.491 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -6.468 -8.167 -11.349 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -4.375 -4.488 -10.900 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -8.543 -6.934 -11.784 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -6.446 -3.256 -11.353 1.00 0.00 H new ATOM 0 HH TYR A 91 -8.599 -3.364 -11.809 1.00 0.00 H new ATOM 1470 N GLN A 92 -2.728 -9.706 -10.010 1.00 0.00 N ATOM 1471 CA GLN A 92 -1.668 -10.693 -10.005 1.00 0.00 C ATOM 1472 C GLN A 92 -0.922 -10.665 -11.342 1.00 0.00 C ATOM 1473 O GLN A 92 -1.520 -10.874 -12.397 1.00 0.00 O ATOM 1474 CB GLN A 92 -2.261 -12.083 -9.775 1.00 0.00 C ATOM 1475 CG GLN A 92 -1.267 -13.106 -9.270 1.00 0.00 C ATOM 1476 CD GLN A 92 -0.966 -12.940 -7.793 1.00 0.00 C ATOM 1477 OE1 GLN A 92 -1.622 -13.531 -6.950 1.00 0.00 O ATOM 1478 NE2 GLN A 92 0.024 -12.137 -7.472 1.00 0.00 N ATOM 0 H GLN A 92 -3.519 -9.942 -10.609 1.00 0.00 H new ATOM 0 HA GLN A 92 -0.968 -10.461 -9.202 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -3.078 -12.003 -9.058 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -2.691 -12.442 -10.710 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -1.659 -14.108 -9.448 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.341 -13.020 -9.839 1.00 0.00 H new ATOM 0 HE21 GLN A 92 0.551 -11.659 -8.203 1.00 0.00 H new ATOM 0 HE22 GLN A 92 0.265 -11.992 -6.492 1.00 0.00 H new ATOM 1487 N GLU A 93 0.385 -10.415 -11.308 1.00 0.00 N ATOM 1488 CA GLU A 93 1.182 -10.368 -12.532 1.00 0.00 C ATOM 1489 C GLU A 93 2.127 -11.554 -12.614 1.00 0.00 C ATOM 1490 O GLU A 93 3.132 -11.519 -13.332 1.00 0.00 O ATOM 1491 CB GLU A 93 1.969 -9.060 -12.643 1.00 0.00 C ATOM 1492 CG GLU A 93 2.920 -8.788 -11.488 1.00 0.00 C ATOM 1493 CD GLU A 93 3.812 -7.594 -11.753 1.00 0.00 C ATOM 1494 OE1 GLU A 93 3.401 -6.461 -11.449 1.00 0.00 O ATOM 1495 OE2 GLU A 93 4.922 -7.784 -12.291 1.00 0.00 O ATOM 0 H GLU A 93 0.912 -10.243 -10.452 1.00 0.00 H new ATOM 0 HA GLU A 93 0.486 -10.417 -13.369 1.00 0.00 H new ATOM 0 HB2 GLU A 93 2.541 -9.074 -13.571 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.263 -8.233 -12.717 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.345 -8.615 -10.578 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.537 -9.669 -11.312 1.00 0.00 H new ATOM 1502 N GLN A 94 1.820 -12.602 -11.852 1.00 0.00 N ATOM 1503 CA GLN A 94 2.584 -13.852 -11.890 1.00 0.00 C ATOM 1504 C GLN A 94 2.506 -14.486 -13.296 1.00 0.00 C ATOM 1505 O GLN A 94 2.058 -13.851 -14.257 1.00 0.00 O ATOM 1506 CB GLN A 94 2.057 -14.822 -10.826 1.00 0.00 C ATOM 1507 CG GLN A 94 2.228 -14.308 -9.409 1.00 0.00 C ATOM 1508 CD GLN A 94 1.562 -15.184 -8.365 1.00 0.00 C ATOM 1509 OE1 GLN A 94 0.570 -15.859 -8.641 1.00 0.00 O ATOM 1510 NE2 GLN A 94 2.091 -15.162 -7.156 1.00 0.00 N ATOM 0 H GLN A 94 1.040 -12.611 -11.194 1.00 0.00 H new ATOM 0 HA GLN A 94 3.630 -13.635 -11.672 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.000 -15.014 -11.011 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.576 -15.776 -10.924 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.292 -14.232 -9.184 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.816 -13.301 -9.344 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.914 -14.589 -6.970 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.677 -15.718 -6.408 1.00 0.00 H new ATOM 1519 N THR A 95 2.902 -15.730 -13.434 1.00 0.00 N ATOM 1520 CA THR A 95 2.902 -16.345 -14.741 1.00 0.00 C ATOM 1521 C THR A 95 2.657 -17.844 -14.655 1.00 0.00 C ATOM 1522 O THR A 95 3.247 -18.549 -13.829 1.00 0.00 O ATOM 1523 CB THR A 95 4.226 -16.064 -15.510 1.00 0.00 C ATOM 1524 OG1 THR A 95 4.184 -16.665 -16.819 1.00 0.00 O ATOM 1525 CG2 THR A 95 5.431 -16.594 -14.743 1.00 0.00 C ATOM 0 H THR A 95 3.223 -16.327 -12.672 1.00 0.00 H new ATOM 0 HA THR A 95 2.081 -15.894 -15.298 1.00 0.00 H new ATOM 0 HB THR A 95 4.327 -14.984 -15.612 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.812 -17.416 -16.854 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.341 -16.383 -15.305 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.485 -16.108 -13.769 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.330 -17.671 -14.606 1.00 0.00 H new ATOM 1533 N GLY A 96 1.764 -18.330 -15.492 1.00 0.00 N ATOM 1534 CA GLY A 96 1.498 -19.743 -15.547 1.00 0.00 C ATOM 1535 C GLY A 96 2.400 -20.420 -16.547 1.00 0.00 C ATOM 1536 O GLY A 96 2.578 -21.642 -16.530 1.00 0.00 O ATOM 0 H GLY A 96 1.214 -17.765 -16.140 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.645 -20.184 -14.561 1.00 0.00 H new ATOM 0 HA3 GLY A 96 0.456 -19.911 -15.819 1.00 0.00 H new ATOM 1540 N GLY A 97 2.985 -19.621 -17.421 1.00 0.00 N ATOM 1541 CA GLY A 97 3.883 -20.136 -18.414 1.00 0.00 C ATOM 1542 C GLY A 97 5.319 -19.945 -18.005 1.00 0.00 C ATOM 1543 O GLY A 97 5.608 -18.968 -17.278 1.00 0.00 O ATOM 1544 OXT GLY A 97 6.168 -20.772 -18.397 1.00 0.00 O ATOM 0 H GLY A 97 2.848 -18.611 -17.455 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.685 -21.196 -18.571 1.00 0.00 H new ATOM 0 HA3 GLY A 97 3.704 -19.634 -19.365 1.00 0.00 H new TER 1548 GLY A 97