USER MOD reduce.3.24.130724 H: found=0, std=0, add=716, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 716 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: B 12 HIS :FLIP no HD1:sc= -3.34 F(o=-9.6!,f=-7.9) USER MOD Set 1.2: B 13 HIS : no HD1:sc= -4.53! K(o=-7.9!,f=-8.4) USER MOD Set 2.1: A 12 HIS :FLIP no HD1:sc= -3.39 F(o=-9.7!,f=-7.9) USER MOD Set 2.2: A 13 HIS : no HD1:sc= -4.49! K(o=-7.9!,f=-8.5) USER MOD Single : A 1 ALA N :NH3+ -161:sc= 0.573 (180deg=0.36) USER MOD Single : A 3 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0138) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.329 F(o=-1.3,f=-0.33) USER MOD Single : A 6 HIS : no HD1:sc= -8.31! C(o=-8.3!,f=-8.5!) USER MOD Single : A 8 ASN : amide:sc= -0.402 K(o=-0.4,f=-2.8!) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -0.633 X(o=-0.63,f=-0.5) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.0893 X(o=-0.089,f=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 163:sc= -0.0554 (180deg=-0.492) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN :FLIP amide:sc= -2.22 F(o=-2.9,f=-2.2) USER MOD Single : A 37 SER OG : rot 104:sc= 1.19 USER MOD Single : B 1 ALA N :NH3+ -163:sc= 0.56 (180deg=0.354) USER MOD Single : B 3 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0195) USER MOD Single : B 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 5 HIS :FLIP no HD1:sc= -0.306 F(o=-1.4,f=-0.31) USER MOD Single : B 6 HIS : no HD1:sc= -8.24! C(o=-8.2!,f=-8.6!) USER MOD Single : B 8 ASN : amide:sc= -0.42 K(o=-0.42,f=-2.9!) USER MOD Single : B 11 SER OG : rot 180:sc= 0 USER MOD Single : B 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 27 HIS : no HD1:sc= -0.56 X(o=-0.56,f=-0.47) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 GLN : amide:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : B 30 SER OG : rot 180:sc= 0 USER MOD Single : B 32 LYS NZ :NH3+ 164:sc= -0.0518 (180deg=-0.509) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN :FLIP amide:sc= -2.21 F(o=-3,f=-2.2) USER MOD Single : B 37 SER OG : rot 113:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -24.064 8.203 4.689 1.00 0.00 N ATOM 2 CA ALA A 1 -24.287 6.767 4.998 1.00 0.00 C ATOM 3 C ALA A 1 -25.777 6.445 5.056 1.00 0.00 C ATOM 4 O ALA A 1 -26.451 6.757 6.038 1.00 0.00 O ATOM 5 CB ALA A 1 -23.618 6.402 6.313 1.00 0.00 C ATOM 0 H1 ALA A 1 -23.093 8.337 4.341 1.00 0.00 H new ATOM 0 H2 ALA A 1 -24.739 8.510 3.959 1.00 0.00 H new ATOM 0 H3 ALA A 1 -24.204 8.769 5.550 1.00 0.00 H new ATOM 0 HA ALA A 1 -23.843 6.174 4.198 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -23.789 5.347 6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -22.547 6.588 6.240 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -24.038 7.008 7.116 1.00 0.00 H new ATOM 13 N LEU A 2 -26.284 5.820 3.999 1.00 0.00 N ATOM 14 CA LEU A 2 -27.694 5.455 3.930 1.00 0.00 C ATOM 15 C LEU A 2 -27.864 4.038 3.392 1.00 0.00 C ATOM 16 O LEU A 2 -28.900 3.700 2.820 1.00 0.00 O ATOM 17 CB LEU A 2 -28.456 6.443 3.046 1.00 0.00 C ATOM 18 CG LEU A 2 -28.141 7.918 3.304 1.00 0.00 C ATOM 19 CD1 LEU A 2 -27.588 8.572 2.047 1.00 0.00 C ATOM 20 CD2 LEU A 2 -29.383 8.652 3.787 1.00 0.00 C ATOM 0 H LEU A 2 -25.739 5.556 3.178 1.00 0.00 H new ATOM 0 HA LEU A 2 -28.102 5.492 4.940 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -28.237 6.217 2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -29.525 6.285 3.188 1.00 0.00 H new ATOM 0 HG LEU A 2 -27.382 7.977 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -27.370 9.621 2.248 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -26.673 8.062 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -28.324 8.502 1.246 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -29.140 9.700 3.965 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -30.163 8.584 3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -29.736 8.199 4.713 1.00 0.00 H new ATOM 32 N LYS A 3 -26.839 3.212 3.577 1.00 0.00 N ATOM 33 CA LYS A 3 -26.875 1.831 3.110 1.00 0.00 C ATOM 34 C LYS A 3 -26.203 0.900 4.113 1.00 0.00 C ATOM 35 O LYS A 3 -25.199 1.256 4.730 1.00 0.00 O ATOM 36 CB LYS A 3 -26.188 1.714 1.747 1.00 0.00 C ATOM 37 CG LYS A 3 -26.764 2.645 0.693 1.00 0.00 C ATOM 38 CD LYS A 3 -25.721 3.634 0.195 1.00 0.00 C ATOM 39 CE LYS A 3 -26.253 5.058 0.208 1.00 0.00 C ATOM 40 NZ LYS A 3 -25.480 5.948 -0.702 1.00 0.00 N ATOM 0 H LYS A 3 -25.973 3.475 4.047 1.00 0.00 H new ATOM 0 HA LYS A 3 -27.919 1.534 3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -25.126 1.926 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -26.270 0.686 1.395 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -27.141 2.059 -0.145 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -27.612 3.188 1.110 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -24.831 3.571 0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -25.419 3.367 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -27.301 5.057 -0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -26.211 5.452 1.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -25.795 6.931 -0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -24.467 5.878 -0.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -25.637 5.657 -1.688 1.00 0.00 H new ATOM 54 N LYS A 4 -26.763 -0.297 4.271 1.00 0.00 N ATOM 55 CA LYS A 4 -26.215 -1.279 5.200 1.00 0.00 C ATOM 56 C LYS A 4 -25.345 -2.295 4.468 1.00 0.00 C ATOM 57 O LYS A 4 -24.127 -2.321 4.641 1.00 0.00 O ATOM 58 CB LYS A 4 -27.346 -1.997 5.940 1.00 0.00 C ATOM 59 CG LYS A 4 -27.857 -1.238 7.154 1.00 0.00 C ATOM 60 CD LYS A 4 -28.385 0.134 6.769 1.00 0.00 C ATOM 61 CE LYS A 4 -27.406 1.234 7.145 1.00 0.00 C ATOM 62 NZ LYS A 4 -27.973 2.590 6.904 1.00 0.00 N ATOM 0 H LYS A 4 -27.594 -0.609 3.768 1.00 0.00 H new ATOM 0 HA LYS A 4 -25.594 -0.751 5.923 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -28.174 -2.161 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -26.995 -2.979 6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -28.648 -1.812 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -27.053 -1.129 7.882 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -28.573 0.164 5.696 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -29.339 0.310 7.265 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -27.136 1.135 8.196 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -26.489 1.116 6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -27.274 3.311 7.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -28.207 2.694 5.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -28.834 2.713 7.474 1.00 0.00 H new ATOM 76 N HIS A 5 -25.976 -3.128 3.647 1.00 0.00 N ATOM 77 CA HIS A 5 -25.255 -4.142 2.887 1.00 0.00 C ATOM 78 C HIS A 5 -24.086 -3.519 2.132 1.00 0.00 C ATOM 79 O HIS A 5 -22.997 -4.090 2.068 1.00 0.00 O ATOM 80 CB HIS A 5 -26.196 -4.841 1.905 1.00 0.00 C ATOM 81 CG HIS A 5 -27.187 -3.917 1.266 1.00 0.00 C ATOM 82 ND1 HIS A 5 -27.019 -2.927 0.358 1.00 0.00 N flip ATOM 83 CD2 HIS A 5 -28.538 -3.951 1.547 1.00 0.00 C flip ATOM 84 CE1 HIS A 5 -28.258 -2.389 0.109 1.00 0.00 C flip ATOM 85 NE2 HIS A 5 -29.157 -3.024 0.837 1.00 0.00 N flip ATOM 0 H HIS A 5 -26.984 -3.121 3.491 1.00 0.00 H new ATOM 0 HA HIS A 5 -24.864 -4.879 3.589 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -25.604 -5.321 1.126 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -26.734 -5.631 2.429 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -29.015 -4.629 2.239 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -28.463 -1.577 -0.573 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -30.159 -2.832 0.850 1.00 0.00 H new ATOM 94 N HIS A 6 -24.321 -2.339 1.566 1.00 0.00 N ATOM 95 CA HIS A 6 -23.289 -1.631 0.819 1.00 0.00 C ATOM 96 C HIS A 6 -22.110 -1.288 1.719 1.00 0.00 C ATOM 97 O HIS A 6 -20.954 -1.381 1.306 1.00 0.00 O ATOM 98 CB HIS A 6 -23.865 -0.354 0.202 1.00 0.00 C ATOM 99 CG HIS A 6 -23.450 -0.135 -1.219 1.00 0.00 C ATOM 100 ND1 HIS A 6 -23.238 -1.167 -2.110 1.00 0.00 N ATOM 101 CD2 HIS A 6 -23.209 1.008 -1.906 1.00 0.00 C ATOM 102 CE1 HIS A 6 -22.884 -0.669 -3.281 1.00 0.00 C ATOM 103 NE2 HIS A 6 -22.860 0.647 -3.184 1.00 0.00 N ATOM 0 H HIS A 6 -25.217 -1.854 1.611 1.00 0.00 H new ATOM 0 HA HIS A 6 -22.936 -2.284 0.021 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -24.953 -0.395 0.252 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.551 0.502 0.799 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -23.278 2.014 -1.520 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -22.653 -1.241 -4.167 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -22.621 1.292 -3.937 1.00 0.00 H new ATOM 112 N GLU A 7 -22.406 -0.894 2.953 1.00 0.00 N ATOM 113 CA GLU A 7 -21.365 -0.542 3.909 1.00 0.00 C ATOM 114 C GLU A 7 -20.552 -1.772 4.292 1.00 0.00 C ATOM 115 O GLU A 7 -19.367 -1.671 4.609 1.00 0.00 O ATOM 116 CB GLU A 7 -21.978 0.093 5.158 1.00 0.00 C ATOM 117 CG GLU A 7 -21.022 1.012 5.903 1.00 0.00 C ATOM 118 CD GLU A 7 -21.646 2.354 6.236 1.00 0.00 C ATOM 119 OE1 GLU A 7 -22.891 2.434 6.288 1.00 0.00 O ATOM 120 OE2 GLU A 7 -20.888 3.323 6.448 1.00 0.00 O ATOM 0 H GLU A 7 -23.357 -0.811 3.313 1.00 0.00 H new ATOM 0 HA GLU A 7 -20.700 0.182 3.438 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -22.864 0.659 4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -22.310 -0.697 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -20.700 0.526 6.824 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -20.130 1.170 5.297 1.00 0.00 H new ATOM 127 N ASN A 8 -21.192 -2.935 4.250 1.00 0.00 N ATOM 128 CA ASN A 8 -20.522 -4.184 4.582 1.00 0.00 C ATOM 129 C ASN A 8 -19.424 -4.474 3.565 1.00 0.00 C ATOM 130 O ASN A 8 -18.291 -4.802 3.929 1.00 0.00 O ATOM 131 CB ASN A 8 -21.526 -5.337 4.615 1.00 0.00 C ATOM 132 CG ASN A 8 -21.724 -5.890 6.011 1.00 0.00 C ATOM 133 OD1 ASN A 8 -20.941 -5.612 6.920 1.00 0.00 O ATOM 134 ND2 ASN A 8 -22.776 -6.681 6.191 1.00 0.00 N ATOM 0 H ASN A 8 -22.173 -3.038 3.989 1.00 0.00 H new ATOM 0 HA ASN A 8 -20.073 -4.086 5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -22.484 -4.993 4.224 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -21.181 -6.134 3.957 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -22.960 -7.084 7.110 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -23.400 -6.886 5.410 1.00 0.00 H new ATOM 141 N GLU A 9 -19.764 -4.341 2.287 1.00 0.00 N ATOM 142 CA GLU A 9 -18.806 -4.578 1.219 1.00 0.00 C ATOM 143 C GLU A 9 -17.593 -3.673 1.384 1.00 0.00 C ATOM 144 O GLU A 9 -16.457 -4.148 1.440 1.00 0.00 O ATOM 145 CB GLU A 9 -19.455 -4.345 -0.147 1.00 0.00 C ATOM 146 CG GLU A 9 -19.211 -5.471 -1.137 1.00 0.00 C ATOM 147 CD GLU A 9 -20.242 -6.578 -1.027 1.00 0.00 C ATOM 148 OE1 GLU A 9 -20.069 -7.467 -0.166 1.00 0.00 O ATOM 149 OE2 GLU A 9 -21.221 -6.556 -1.801 1.00 0.00 O ATOM 0 H GLU A 9 -20.695 -4.071 1.969 1.00 0.00 H new ATOM 0 HA GLU A 9 -18.479 -5.616 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -20.529 -4.217 -0.012 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -19.074 -3.414 -0.567 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -19.222 -5.068 -2.150 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -18.217 -5.887 -0.971 1.00 0.00 H new ATOM 156 N ILE A 10 -17.834 -2.369 1.476 1.00 0.00 N ATOM 157 CA ILE A 10 -16.745 -1.424 1.650 1.00 0.00 C ATOM 158 C ILE A 10 -15.995 -1.711 2.942 1.00 0.00 C ATOM 159 O ILE A 10 -14.822 -1.379 3.075 1.00 0.00 O ATOM 160 CB ILE A 10 -17.239 0.033 1.641 1.00 0.00 C ATOM 161 CG1 ILE A 10 -18.059 0.344 2.893 1.00 0.00 C ATOM 162 CG2 ILE A 10 -18.060 0.289 0.393 1.00 0.00 C ATOM 163 CD1 ILE A 10 -18.594 1.759 2.915 1.00 0.00 C ATOM 0 H ILE A 10 -18.763 -1.950 1.433 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.069 -1.550 0.804 1.00 0.00 H new ATOM 0 HB ILE A 10 -16.371 0.692 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -18.893 -0.355 2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.440 0.182 3.775 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.407 1.322 0.392 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -17.445 0.112 -0.490 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -18.919 -0.382 0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.167 1.917 3.829 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -17.762 2.463 2.882 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.239 1.918 2.050 1.00 0.00 H new ATOM 175 N SER A 11 -16.673 -2.354 3.889 1.00 0.00 N ATOM 176 CA SER A 11 -16.050 -2.704 5.155 1.00 0.00 C ATOM 177 C SER A 11 -14.860 -3.619 4.899 1.00 0.00 C ATOM 178 O SER A 11 -13.771 -3.417 5.443 1.00 0.00 O ATOM 179 CB SER A 11 -17.056 -3.393 6.077 1.00 0.00 C ATOM 180 OG SER A 11 -16.807 -3.075 7.435 1.00 0.00 O ATOM 0 H SER A 11 -17.648 -2.640 3.802 1.00 0.00 H new ATOM 0 HA SER A 11 -15.707 -1.793 5.645 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.067 -3.088 5.809 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.001 -4.473 5.938 1.00 0.00 H new ATOM 0 HG SER A 11 -17.465 -3.527 8.003 1.00 0.00 H new ATOM 186 N HIS A 12 -15.071 -4.620 4.046 1.00 0.00 N ATOM 187 CA HIS A 12 -14.012 -5.553 3.700 1.00 0.00 C ATOM 188 C HIS A 12 -12.912 -4.820 2.924 1.00 0.00 C ATOM 189 O HIS A 12 -11.729 -5.133 3.060 1.00 0.00 O ATOM 190 CB HIS A 12 -14.604 -6.751 2.917 1.00 0.00 C ATOM 191 CG HIS A 12 -13.955 -7.061 1.596 1.00 0.00 C ATOM 192 ND1 HIS A 12 -14.399 -6.884 0.332 1.00 0.00 N flip ATOM 193 CD2 HIS A 12 -12.701 -7.626 1.485 1.00 0.00 C flip ATOM 194 CE1 HIS A 12 -13.418 -7.339 -0.513 1.00 0.00 C flip ATOM 195 NE2 HIS A 12 -12.403 -7.781 0.206 1.00 0.00 N flip ATOM 0 H HIS A 12 -15.963 -4.801 3.586 1.00 0.00 H new ATOM 0 HA HIS A 12 -13.553 -5.957 4.602 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -14.541 -7.638 3.547 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -15.663 -6.558 2.743 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -12.063 -7.899 2.313 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.468 -7.336 -1.592 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -11.537 -8.175 -0.162 1.00 0.00 H new ATOM 204 N HIS A 13 -13.313 -3.833 2.125 1.00 0.00 N ATOM 205 CA HIS A 13 -12.359 -3.045 1.346 1.00 0.00 C ATOM 206 C HIS A 13 -11.585 -2.084 2.244 1.00 0.00 C ATOM 207 O HIS A 13 -10.534 -1.575 1.859 1.00 0.00 O ATOM 208 CB HIS A 13 -13.071 -2.241 0.259 1.00 0.00 C ATOM 209 CG HIS A 13 -14.027 -3.036 -0.569 1.00 0.00 C ATOM 210 ND1 HIS A 13 -13.832 -4.361 -0.895 1.00 0.00 N ATOM 211 CD2 HIS A 13 -15.191 -2.673 -1.151 1.00 0.00 C ATOM 212 CE1 HIS A 13 -14.838 -4.779 -1.643 1.00 0.00 C ATOM 213 NE2 HIS A 13 -15.676 -3.773 -1.812 1.00 0.00 N ATOM 0 H HIS A 13 -14.288 -3.560 2.000 1.00 0.00 H new ATOM 0 HA HIS A 13 -11.665 -3.745 0.881 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -13.612 -1.419 0.727 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -12.322 -1.797 -0.397 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -15.654 -1.698 -1.105 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -14.955 -5.774 -2.047 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -16.544 -3.808 -2.347 1.00 0.00 H new ATOM 222 N ALA A 14 -12.113 -1.830 3.440 1.00 0.00 N ATOM 223 CA ALA A 14 -11.468 -0.926 4.381 1.00 0.00 C ATOM 224 C ALA A 14 -10.327 -1.626 5.101 1.00 0.00 C ATOM 225 O ALA A 14 -9.265 -1.044 5.318 1.00 0.00 O ATOM 226 CB ALA A 14 -12.480 -0.387 5.381 1.00 0.00 C ATOM 0 H ALA A 14 -12.985 -2.239 3.777 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.055 -0.086 3.822 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.980 0.287 6.077 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -13.263 0.154 4.850 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.923 -1.216 5.933 1.00 0.00 H new ATOM 232 N LYS A 15 -10.550 -2.883 5.461 1.00 0.00 N ATOM 233 CA LYS A 15 -9.528 -3.665 6.143 1.00 0.00 C ATOM 234 C LYS A 15 -8.479 -4.152 5.149 1.00 0.00 C ATOM 235 O LYS A 15 -7.332 -4.408 5.516 1.00 0.00 O ATOM 236 CB LYS A 15 -10.160 -4.857 6.866 1.00 0.00 C ATOM 237 CG LYS A 15 -9.591 -5.098 8.254 1.00 0.00 C ATOM 238 CD LYS A 15 -10.590 -5.808 9.152 1.00 0.00 C ATOM 239 CE LYS A 15 -10.028 -7.112 9.693 1.00 0.00 C ATOM 240 NZ LYS A 15 -10.743 -7.561 10.919 1.00 0.00 N ATOM 0 H LYS A 15 -11.424 -3.381 5.293 1.00 0.00 H new ATOM 0 HA LYS A 15 -9.042 -3.026 6.880 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.235 -4.694 6.946 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.018 -5.754 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -8.682 -5.695 8.177 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.310 -4.145 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -10.861 -5.156 9.982 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.504 -6.009 8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.102 -7.884 8.927 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.969 -6.985 9.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.329 -8.454 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.652 -6.836 11.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.749 -7.707 10.700 1.00 0.00 H new ATOM 254 N GLU A 16 -8.879 -4.269 3.885 1.00 0.00 N ATOM 255 CA GLU A 16 -7.973 -4.718 2.835 1.00 0.00 C ATOM 256 C GLU A 16 -7.081 -3.575 2.363 1.00 0.00 C ATOM 257 O GLU A 16 -5.901 -3.776 2.076 1.00 0.00 O ATOM 258 CB GLU A 16 -8.766 -5.285 1.654 1.00 0.00 C ATOM 259 CG GLU A 16 -8.821 -6.804 1.631 1.00 0.00 C ATOM 260 CD GLU A 16 -9.627 -7.375 2.782 1.00 0.00 C ATOM 261 OE1 GLU A 16 -9.901 -6.627 3.745 1.00 0.00 O ATOM 262 OE2 GLU A 16 -9.983 -8.571 2.722 1.00 0.00 O ATOM 0 H GLU A 16 -9.824 -4.059 3.565 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.339 -5.504 3.247 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.783 -4.893 1.688 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.320 -4.932 0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.257 -7.134 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.807 -7.201 1.670 1.00 0.00 H new ATOM 269 N ILE A 17 -7.649 -2.374 2.285 1.00 0.00 N ATOM 270 CA ILE A 17 -6.897 -1.204 1.853 1.00 0.00 C ATOM 271 C ILE A 17 -5.979 -0.711 2.967 1.00 0.00 C ATOM 272 O ILE A 17 -4.874 -0.234 2.709 1.00 0.00 O ATOM 273 CB ILE A 17 -7.851 -0.071 1.414 1.00 0.00 C ATOM 274 CG1 ILE A 17 -7.076 1.112 0.826 1.00 0.00 C ATOM 275 CG2 ILE A 17 -8.722 0.375 2.580 1.00 0.00 C ATOM 276 CD1 ILE A 17 -6.312 1.930 1.846 1.00 0.00 C ATOM 0 H ILE A 17 -8.625 -2.188 2.515 1.00 0.00 H new ATOM 0 HA ILE A 17 -6.285 -1.495 0.999 1.00 0.00 H new ATOM 0 HB ILE A 17 -8.500 -0.462 0.630 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -6.375 0.737 0.081 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -7.775 1.766 0.305 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -9.388 1.174 2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -9.314 -0.468 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.089 0.740 3.389 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -5.793 2.746 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -7.007 2.339 2.579 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -5.585 1.294 2.351 1.00 0.00 H new ATOM 288 N GLU A 18 -6.434 -0.837 4.208 1.00 0.00 N ATOM 289 CA GLU A 18 -5.643 -0.405 5.353 1.00 0.00 C ATOM 290 C GLU A 18 -4.566 -1.430 5.685 1.00 0.00 C ATOM 291 O GLU A 18 -3.515 -1.089 6.230 1.00 0.00 O ATOM 292 CB GLU A 18 -6.545 -0.181 6.568 1.00 0.00 C ATOM 293 CG GLU A 18 -5.785 0.228 7.820 1.00 0.00 C ATOM 294 CD GLU A 18 -6.558 -0.064 9.092 1.00 0.00 C ATOM 295 OE1 GLU A 18 -7.643 0.526 9.275 1.00 0.00 O ATOM 296 OE2 GLU A 18 -6.078 -0.882 9.904 1.00 0.00 O ATOM 0 H GLU A 18 -7.343 -1.233 4.446 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.157 0.536 5.094 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.278 0.590 6.329 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -7.100 -1.097 6.772 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -4.831 -0.298 7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.560 1.293 7.772 1.00 0.00 H new ATOM 303 N ARG A 19 -4.834 -2.689 5.355 1.00 0.00 N ATOM 304 CA ARG A 19 -3.889 -3.765 5.623 1.00 0.00 C ATOM 305 C ARG A 19 -2.789 -3.814 4.567 1.00 0.00 C ATOM 306 O ARG A 19 -1.638 -4.134 4.874 1.00 0.00 O ATOM 307 CB ARG A 19 -4.617 -5.108 5.677 1.00 0.00 C ATOM 308 CG ARG A 19 -3.697 -6.287 5.949 1.00 0.00 C ATOM 309 CD ARG A 19 -4.219 -7.561 5.304 1.00 0.00 C ATOM 310 NE ARG A 19 -3.582 -8.753 5.857 1.00 0.00 N ATOM 311 CZ ARG A 19 -3.937 -9.310 7.010 1.00 0.00 C ATOM 312 NH1 ARG A 19 -4.919 -8.783 7.728 1.00 0.00 N ATOM 313 NH2 ARG A 19 -3.309 -10.394 7.446 1.00 0.00 N ATOM 0 H ARG A 19 -5.697 -2.988 4.902 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.425 -3.567 6.589 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.381 -5.067 6.453 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.133 -5.271 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -2.700 -6.067 5.568 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.602 -6.435 7.025 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.297 -7.626 5.449 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.044 -7.522 4.229 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.822 -9.182 5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.403 -7.949 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.191 -9.212 8.613 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.553 -10.801 6.896 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.583 -10.820 8.331 1.00 0.00 H new ATOM 327 N LEU A 20 -3.137 -3.492 3.323 1.00 0.00 N ATOM 328 CA LEU A 20 -2.166 -3.507 2.246 1.00 0.00 C ATOM 329 C LEU A 20 -1.323 -2.239 2.282 1.00 0.00 C ATOM 330 O LEU A 20 -0.173 -2.237 1.845 1.00 0.00 O ATOM 331 CB LEU A 20 -2.871 -3.662 0.899 1.00 0.00 C ATOM 332 CG LEU A 20 -3.595 -4.994 0.697 1.00 0.00 C ATOM 333 CD1 LEU A 20 -4.447 -4.954 -0.562 1.00 0.00 C ATOM 334 CD2 LEU A 20 -2.596 -6.139 0.630 1.00 0.00 C ATOM 0 H LEU A 20 -4.079 -3.220 3.043 1.00 0.00 H new ATOM 0 HA LEU A 20 -1.501 -4.361 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.593 -2.853 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.134 -3.542 0.105 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.252 -5.161 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.954 -5.910 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.188 -4.159 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.811 -4.764 -1.426 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.129 -7.079 0.486 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.913 -5.978 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.029 -6.182 1.560 1.00 0.00 H new ATOM 346 N GLN A 21 -1.892 -1.167 2.833 1.00 0.00 N ATOM 347 CA GLN A 21 -1.175 0.095 2.953 1.00 0.00 C ATOM 348 C GLN A 21 -0.152 -0.004 4.078 1.00 0.00 C ATOM 349 O GLN A 21 0.964 0.501 3.965 1.00 0.00 O ATOM 350 CB GLN A 21 -2.146 1.253 3.223 1.00 0.00 C ATOM 351 CG GLN A 21 -1.460 2.552 3.618 1.00 0.00 C ATOM 352 CD GLN A 21 -1.783 3.693 2.673 1.00 0.00 C ATOM 353 OE1 GLN A 21 -2.517 4.617 3.025 1.00 0.00 O ATOM 354 NE2 GLN A 21 -1.236 3.634 1.465 1.00 0.00 N ATOM 0 H GLN A 21 -2.843 -1.150 3.201 1.00 0.00 H new ATOM 0 HA GLN A 21 -0.662 0.295 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -2.746 1.427 2.330 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -2.833 0.960 4.017 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -1.763 2.826 4.629 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -0.381 2.397 3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -0.634 2.850 1.216 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.418 4.373 0.786 1.00 0.00 H new ATOM 363 N LYS A 22 -0.542 -0.672 5.160 1.00 0.00 N ATOM 364 CA LYS A 22 0.343 -0.855 6.301 1.00 0.00 C ATOM 365 C LYS A 22 1.574 -1.648 5.888 1.00 0.00 C ATOM 366 O LYS A 22 2.704 -1.275 6.207 1.00 0.00 O ATOM 367 CB LYS A 22 -0.390 -1.575 7.436 1.00 0.00 C ATOM 368 CG LYS A 22 0.495 -1.889 8.631 1.00 0.00 C ATOM 369 CD LYS A 22 0.006 -3.118 9.379 1.00 0.00 C ATOM 370 CE LYS A 22 0.361 -4.398 8.639 1.00 0.00 C ATOM 371 NZ LYS A 22 -0.274 -5.593 9.262 1.00 0.00 N ATOM 0 H LYS A 22 -1.464 -1.094 5.268 1.00 0.00 H new ATOM 0 HA LYS A 22 0.658 0.126 6.657 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.226 -0.958 7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -0.811 -2.504 7.053 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.519 -2.050 8.294 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.513 -1.034 9.307 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.447 -3.138 10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.075 -3.060 9.510 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.042 -4.317 7.600 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.444 -4.525 8.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.008 -6.445 8.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.050 -5.685 10.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.308 -5.484 9.247 1.00 0.00 H new ATOM 385 N GLU A 23 1.350 -2.743 5.166 1.00 0.00 N ATOM 386 CA GLU A 23 2.446 -3.583 4.701 1.00 0.00 C ATOM 387 C GLU A 23 3.403 -2.778 3.829 1.00 0.00 C ATOM 388 O GLU A 23 4.615 -2.767 4.062 1.00 0.00 O ATOM 389 CB GLU A 23 1.906 -4.782 3.918 1.00 0.00 C ATOM 390 CG GLU A 23 2.688 -6.063 4.151 1.00 0.00 C ATOM 391 CD GLU A 23 1.869 -7.125 4.858 1.00 0.00 C ATOM 392 OE1 GLU A 23 0.827 -6.774 5.451 1.00 0.00 O ATOM 393 OE2 GLU A 23 2.268 -8.308 4.817 1.00 0.00 O ATOM 0 H GLU A 23 0.422 -3.067 4.892 1.00 0.00 H new ATOM 0 HA GLU A 23 2.990 -3.949 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.865 -4.947 4.195 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.920 -4.546 2.854 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.033 -6.453 3.193 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.576 -5.840 4.743 1.00 0.00 H new ATOM 400 N ILE A 24 2.854 -2.093 2.828 1.00 0.00 N ATOM 401 CA ILE A 24 3.669 -1.280 1.936 1.00 0.00 C ATOM 402 C ILE A 24 4.313 -0.121 2.691 1.00 0.00 C ATOM 403 O ILE A 24 5.301 0.454 2.234 1.00 0.00 O ATOM 404 CB ILE A 24 2.856 -0.734 0.746 1.00 0.00 C ATOM 405 CG1 ILE A 24 3.752 0.111 -0.170 1.00 0.00 C ATOM 406 CG2 ILE A 24 1.641 0.049 1.218 1.00 0.00 C ATOM 407 CD1 ILE A 24 3.865 1.571 0.230 1.00 0.00 C ATOM 0 H ILE A 24 1.856 -2.086 2.617 1.00 0.00 H new ATOM 0 HA ILE A 24 4.449 -1.932 1.543 1.00 0.00 H new ATOM 0 HB ILE A 24 2.485 -1.580 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.750 -0.327 -0.184 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.365 0.055 -1.187 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.089 0.420 0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 24 0.996 -0.602 1.808 1.00 0.00 H new ATOM 0 HG23 ILE A 24 1.966 0.890 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.517 2.091 -0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.876 2.030 0.216 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.283 1.642 1.234 1.00 0.00 H new ATOM 419 N GLU A 25 3.762 0.205 3.857 1.00 0.00 N ATOM 420 CA GLU A 25 4.301 1.280 4.676 1.00 0.00 C ATOM 421 C GLU A 25 5.631 0.851 5.281 1.00 0.00 C ATOM 422 O GLU A 25 6.575 1.637 5.357 1.00 0.00 O ATOM 423 CB GLU A 25 3.314 1.655 5.784 1.00 0.00 C ATOM 424 CG GLU A 25 3.537 3.045 6.353 1.00 0.00 C ATOM 425 CD GLU A 25 2.576 3.375 7.478 1.00 0.00 C ATOM 426 OE1 GLU A 25 2.012 2.433 8.072 1.00 0.00 O ATOM 427 OE2 GLU A 25 2.386 4.576 7.764 1.00 0.00 O ATOM 0 H GLU A 25 2.945 -0.260 4.253 1.00 0.00 H new ATOM 0 HA GLU A 25 4.461 2.155 4.046 1.00 0.00 H new ATOM 0 HB2 GLU A 25 2.299 1.591 5.392 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.391 0.925 6.590 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.561 3.124 6.720 1.00 0.00 H new ATOM 0 HG3 GLU A 25 3.426 3.782 5.557 1.00 0.00 H new ATOM 434 N ARG A 26 5.699 -0.411 5.696 1.00 0.00 N ATOM 435 CA ARG A 26 6.916 -0.959 6.280 1.00 0.00 C ATOM 436 C ARG A 26 8.023 -1.014 5.235 1.00 0.00 C ATOM 437 O ARG A 26 9.143 -0.555 5.473 1.00 0.00 O ATOM 438 CB ARG A 26 6.655 -2.356 6.844 1.00 0.00 C ATOM 439 CG ARG A 26 6.112 -2.348 8.262 1.00 0.00 C ATOM 440 CD ARG A 26 5.427 -3.662 8.604 1.00 0.00 C ATOM 441 NE ARG A 26 6.327 -4.587 9.287 1.00 0.00 N ATOM 442 CZ ARG A 26 6.069 -5.880 9.447 1.00 0.00 C ATOM 443 NH1 ARG A 26 4.943 -6.398 8.976 1.00 0.00 N ATOM 444 NH2 ARG A 26 6.937 -6.658 10.080 1.00 0.00 N ATOM 0 H ARG A 26 4.925 -1.072 5.638 1.00 0.00 H new ATOM 0 HA ARG A 26 7.233 -0.308 7.095 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.948 -2.874 6.196 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.584 -2.926 6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 26 6.926 -2.168 8.964 1.00 0.00 H new ATOM 0 HG3 ARG A 26 5.404 -1.527 8.377 1.00 0.00 H new ATOM 0 HD2 ARG A 26 4.561 -3.466 9.236 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.056 -4.126 7.690 1.00 0.00 H new ATOM 0 HE ARG A 26 7.202 -4.220 9.662 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.272 -5.803 8.489 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.747 -7.391 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 26 7.804 -6.263 10.445 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.737 -7.651 10.202 1.00 0.00 H new ATOM 458 N HIS A 27 7.699 -1.566 4.068 1.00 0.00 N ATOM 459 CA HIS A 27 8.663 -1.663 2.984 1.00 0.00 C ATOM 460 C HIS A 27 9.023 -0.274 2.470 1.00 0.00 C ATOM 461 O HIS A 27 10.091 -0.074 1.895 1.00 0.00 O ATOM 462 CB HIS A 27 8.102 -2.516 1.845 1.00 0.00 C ATOM 463 CG HIS A 27 8.634 -3.915 1.826 1.00 0.00 C ATOM 464 ND1 HIS A 27 9.979 -4.207 1.725 1.00 0.00 N ATOM 465 CD2 HIS A 27 7.996 -5.107 1.896 1.00 0.00 C ATOM 466 CE1 HIS A 27 10.145 -5.518 1.734 1.00 0.00 C ATOM 467 NE2 HIS A 27 8.957 -6.086 1.837 1.00 0.00 N ATOM 0 H HIS A 27 6.779 -1.950 3.853 1.00 0.00 H new ATOM 0 HA HIS A 27 9.565 -2.141 3.366 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.016 -2.550 1.929 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.333 -2.035 0.894 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.930 -5.259 1.982 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.090 -6.036 1.668 1.00 0.00 H new ATOM 0 HE2 HIS A 27 8.782 -7.090 1.868 1.00 0.00 H new ATOM 476 N LYS A 28 8.121 0.683 2.685 1.00 0.00 N ATOM 477 CA LYS A 28 8.340 2.053 2.246 1.00 0.00 C ATOM 478 C LYS A 28 9.283 2.786 3.191 1.00 0.00 C ATOM 479 O LYS A 28 9.949 3.742 2.796 1.00 0.00 O ATOM 480 CB LYS A 28 7.010 2.801 2.150 1.00 0.00 C ATOM 481 CG LYS A 28 7.152 4.234 1.664 1.00 0.00 C ATOM 482 CD LYS A 28 6.465 5.212 2.606 1.00 0.00 C ATOM 483 CE LYS A 28 4.972 4.946 2.692 1.00 0.00 C ATOM 484 NZ LYS A 28 4.172 6.103 2.202 1.00 0.00 N ATOM 0 H LYS A 28 7.232 0.531 3.161 1.00 0.00 H new ATOM 0 HA LYS A 28 8.801 2.020 1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.347 2.261 1.474 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.533 2.804 3.130 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.209 4.488 1.581 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.723 4.325 0.666 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.907 5.134 3.599 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.635 6.232 2.261 1.00 0.00 H new ATOM 0 HE2 LYS A 28 4.727 4.061 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.701 4.729 3.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.159 5.881 2.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 4.387 6.942 2.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 4.411 6.295 1.208 1.00 0.00 H new ATOM 498 N GLN A 29 9.341 2.331 4.436 1.00 0.00 N ATOM 499 CA GLN A 29 10.212 2.949 5.426 1.00 0.00 C ATOM 500 C GLN A 29 11.653 2.495 5.226 1.00 0.00 C ATOM 501 O GLN A 29 12.588 3.280 5.377 1.00 0.00 O ATOM 502 CB GLN A 29 9.743 2.605 6.841 1.00 0.00 C ATOM 503 CG GLN A 29 10.584 3.244 7.933 1.00 0.00 C ATOM 504 CD GLN A 29 10.268 2.693 9.309 1.00 0.00 C ATOM 505 OE1 GLN A 29 9.921 3.440 10.224 1.00 0.00 O ATOM 506 NE2 GLN A 29 10.388 1.380 9.463 1.00 0.00 N ATOM 0 H GLN A 29 8.798 1.540 4.783 1.00 0.00 H new ATOM 0 HA GLN A 29 10.165 4.030 5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 29 8.707 2.923 6.959 1.00 0.00 H new ATOM 0 HB3 GLN A 29 9.760 1.522 6.967 1.00 0.00 H new ATOM 0 HG2 GLN A 29 11.640 3.083 7.715 1.00 0.00 H new ATOM 0 HG3 GLN A 29 10.419 4.321 7.930 1.00 0.00 H new ATOM 0 HE21 GLN A 29 10.679 0.799 8.677 1.00 0.00 H new ATOM 0 HE22 GLN A 29 10.190 0.952 10.368 1.00 0.00 H new ATOM 515 N SER A 30 11.822 1.224 4.879 1.00 0.00 N ATOM 516 CA SER A 30 13.152 0.669 4.652 1.00 0.00 C ATOM 517 C SER A 30 13.733 1.180 3.335 1.00 0.00 C ATOM 518 O SER A 30 14.910 1.539 3.262 1.00 0.00 O ATOM 519 CB SER A 30 13.094 -0.859 4.640 1.00 0.00 C ATOM 520 OG SER A 30 13.739 -1.403 5.779 1.00 0.00 O ATOM 0 H SER A 30 11.058 0.560 4.749 1.00 0.00 H new ATOM 0 HA SER A 30 13.801 0.993 5.466 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.055 -1.186 4.616 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.568 -1.237 3.734 1.00 0.00 H new ATOM 0 HG SER A 30 13.687 -2.381 5.749 1.00 0.00 H new ATOM 526 N ILE A 31 12.900 1.211 2.299 1.00 0.00 N ATOM 527 CA ILE A 31 13.331 1.679 0.987 1.00 0.00 C ATOM 528 C ILE A 31 13.502 3.193 0.978 1.00 0.00 C ATOM 529 O ILE A 31 14.348 3.728 0.261 1.00 0.00 O ATOM 530 CB ILE A 31 12.324 1.264 -0.106 1.00 0.00 C ATOM 531 CG1 ILE A 31 12.773 1.753 -1.482 1.00 0.00 C ATOM 532 CG2 ILE A 31 10.946 1.811 0.218 1.00 0.00 C ATOM 533 CD1 ILE A 31 13.848 0.897 -2.107 1.00 0.00 C ATOM 0 H ILE A 31 11.924 0.918 2.343 1.00 0.00 H new ATOM 0 HA ILE A 31 14.293 1.214 0.773 1.00 0.00 H new ATOM 0 HB ILE A 31 12.280 0.175 -0.130 1.00 0.00 H new ATOM 0 HG12 ILE A 31 11.910 1.781 -2.148 1.00 0.00 H new ATOM 0 HG13 ILE A 31 13.140 2.775 -1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 31 10.244 1.512 -0.560 1.00 0.00 H new ATOM 0 HG22 ILE A 31 10.614 1.416 1.178 1.00 0.00 H new ATOM 0 HG23 ILE A 31 10.989 2.899 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 31 14.117 1.304 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 31 14.727 0.889 -1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 31 13.478 -0.121 -2.229 1.00 0.00 H new ATOM 545 N LYS A 32 12.703 3.879 1.789 1.00 0.00 N ATOM 546 CA LYS A 32 12.782 5.331 1.881 1.00 0.00 C ATOM 547 C LYS A 32 13.948 5.747 2.771 1.00 0.00 C ATOM 548 O LYS A 32 14.463 6.860 2.658 1.00 0.00 O ATOM 549 CB LYS A 32 11.475 5.903 2.432 1.00 0.00 C ATOM 550 CG LYS A 32 11.465 7.420 2.525 1.00 0.00 C ATOM 551 CD LYS A 32 10.274 7.922 3.324 1.00 0.00 C ATOM 552 CE LYS A 32 10.386 7.539 4.790 1.00 0.00 C ATOM 553 NZ LYS A 32 9.353 6.543 5.185 1.00 0.00 N ATOM 0 H LYS A 32 11.996 3.454 2.389 1.00 0.00 H new ATOM 0 HA LYS A 32 12.946 5.729 0.879 1.00 0.00 H new ATOM 0 HB2 LYS A 32 10.651 5.581 1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 32 11.295 5.486 3.423 1.00 0.00 H new ATOM 0 HG2 LYS A 32 12.388 7.763 2.992 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.438 7.847 1.522 1.00 0.00 H new ATOM 0 HD2 LYS A 32 10.205 9.006 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 32 9.355 7.509 2.908 1.00 0.00 H new ATOM 0 HE2 LYS A 32 11.377 7.129 4.983 1.00 0.00 H new ATOM 0 HE3 LYS A 32 10.284 8.432 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.627 6.096 6.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.437 7.021 5.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.272 5.815 4.446 1.00 0.00 H new ATOM 567 N LYS A 33 14.361 4.845 3.658 1.00 0.00 N ATOM 568 CA LYS A 33 15.466 5.116 4.566 1.00 0.00 C ATOM 569 C LYS A 33 16.804 5.032 3.839 1.00 0.00 C ATOM 570 O LYS A 33 17.699 5.843 4.079 1.00 0.00 O ATOM 571 CB LYS A 33 15.446 4.133 5.738 1.00 0.00 C ATOM 572 CG LYS A 33 16.569 4.355 6.738 1.00 0.00 C ATOM 573 CD LYS A 33 16.250 3.721 8.083 1.00 0.00 C ATOM 574 CE LYS A 33 15.103 4.436 8.778 1.00 0.00 C ATOM 575 NZ LYS A 33 14.171 3.481 9.437 1.00 0.00 N ATOM 0 H LYS A 33 13.945 3.920 3.765 1.00 0.00 H new ATOM 0 HA LYS A 33 15.345 6.129 4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 33 14.490 4.216 6.254 1.00 0.00 H new ATOM 0 HB3 LYS A 33 15.512 3.117 5.350 1.00 0.00 H new ATOM 0 HG2 LYS A 33 17.495 3.934 6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 33 16.735 5.424 6.869 1.00 0.00 H new ATOM 0 HD2 LYS A 33 15.992 2.672 7.940 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.135 3.748 8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 33 15.503 5.125 9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 33 14.555 5.035 8.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.403 4.008 9.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.770 2.839 8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.688 2.927 10.149 1.00 0.00 H new ATOM 589 N LEU A 34 16.939 4.054 2.947 1.00 0.00 N ATOM 590 CA LEU A 34 18.175 3.890 2.194 1.00 0.00 C ATOM 591 C LEU A 34 18.246 4.907 1.062 1.00 0.00 C ATOM 592 O LEU A 34 19.328 5.347 0.674 1.00 0.00 O ATOM 593 CB LEU A 34 18.276 2.471 1.634 1.00 0.00 C ATOM 594 CG LEU A 34 19.578 1.735 1.958 1.00 0.00 C ATOM 595 CD1 LEU A 34 20.781 2.613 1.652 1.00 0.00 C ATOM 596 CD2 LEU A 34 19.593 1.296 3.414 1.00 0.00 C ATOM 0 H LEU A 34 16.214 3.370 2.731 1.00 0.00 H new ATOM 0 HA LEU A 34 19.014 4.059 2.869 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.441 1.885 2.018 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.162 2.516 0.551 1.00 0.00 H new ATOM 0 HG LEU A 34 19.635 0.846 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 34 21.697 2.071 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 34 20.779 2.877 0.594 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.731 3.521 2.253 1.00 0.00 H new ATOM 0 HD21 LEU A 34 20.526 0.774 3.627 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.511 2.171 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.753 0.628 3.601 1.00 0.00 H new ATOM 608 N LYS A 35 17.082 5.281 0.539 1.00 0.00 N ATOM 609 CA LYS A 35 17.010 6.251 -0.545 1.00 0.00 C ATOM 610 C LYS A 35 17.222 7.666 -0.016 1.00 0.00 C ATOM 611 O LYS A 35 17.728 8.535 -0.727 1.00 0.00 O ATOM 612 CB LYS A 35 15.660 6.156 -1.256 1.00 0.00 C ATOM 613 CG LYS A 35 15.497 7.154 -2.390 1.00 0.00 C ATOM 614 CD LYS A 35 14.177 7.902 -2.289 1.00 0.00 C ATOM 615 CE LYS A 35 12.991 6.958 -2.403 1.00 0.00 C ATOM 616 NZ LYS A 35 11.703 7.696 -2.514 1.00 0.00 N ATOM 0 H LYS A 35 16.177 4.926 0.849 1.00 0.00 H new ATOM 0 HA LYS A 35 17.802 6.024 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.537 5.147 -1.651 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.864 6.313 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.322 7.866 -2.371 1.00 0.00 H new ATOM 0 HG3 LYS A 35 15.548 6.632 -3.346 1.00 0.00 H new ATOM 0 HD2 LYS A 35 14.130 8.433 -1.338 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.122 8.653 -3.077 1.00 0.00 H new ATOM 0 HE2 LYS A 35 13.119 6.318 -3.276 1.00 0.00 H new ATOM 0 HE3 LYS A 35 12.961 6.305 -1.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 10.919 7.017 -2.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.568 8.288 -1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 11.721 8.300 -3.361 1.00 0.00 H new ATOM 630 N GLN A 36 16.836 7.890 1.237 1.00 0.00 N ATOM 631 CA GLN A 36 16.990 9.199 1.858 1.00 0.00 C ATOM 632 C GLN A 36 18.387 9.351 2.451 1.00 0.00 C ATOM 633 O GLN A 36 18.917 10.457 2.543 1.00 0.00 O ATOM 634 CB GLN A 36 15.935 9.401 2.946 1.00 0.00 C ATOM 635 CG GLN A 36 14.569 9.791 2.403 1.00 0.00 C ATOM 636 CD GLN A 36 13.543 9.994 3.500 1.00 0.00 C ATOM 637 OE1 GLN A 36 12.293 10.219 3.107 1.00 0.00 O flip ATOM 638 NE2 GLN A 36 13.867 9.949 4.686 1.00 0.00 N flip ATOM 0 H GLN A 36 16.415 7.183 1.840 1.00 0.00 H new ATOM 0 HA GLN A 36 16.853 9.959 1.089 1.00 0.00 H new ATOM 0 HB2 GLN A 36 15.839 8.481 3.523 1.00 0.00 H new ATOM 0 HB3 GLN A 36 16.278 10.174 3.634 1.00 0.00 H new ATOM 0 HG2 GLN A 36 14.661 10.709 1.822 1.00 0.00 H new ATOM 0 HG3 GLN A 36 14.218 9.016 1.721 1.00 0.00 H new ATOM 0 HE21 GLN A 36 14.838 9.774 4.943 1.00 0.00 H new ATOM 0 HE22 GLN A 36 13.164 10.087 5.412 1.00 0.00 H new ATOM 647 N SER A 37 18.978 8.229 2.847 1.00 0.00 N ATOM 648 CA SER A 37 20.315 8.232 3.424 1.00 0.00 C ATOM 649 C SER A 37 21.374 8.220 2.328 1.00 0.00 C ATOM 650 O SER A 37 22.502 8.671 2.535 1.00 0.00 O ATOM 651 CB SER A 37 20.501 7.024 4.345 1.00 0.00 C ATOM 652 OG SER A 37 19.488 6.977 5.335 1.00 0.00 O ATOM 0 H SER A 37 18.551 7.305 2.778 1.00 0.00 H new ATOM 0 HA SER A 37 20.431 9.144 4.010 1.00 0.00 H new ATOM 0 HB2 SER A 37 20.481 6.107 3.756 1.00 0.00 H new ATOM 0 HB3 SER A 37 21.479 7.074 4.823 1.00 0.00 H new ATOM 0 HG SER A 37 18.833 6.286 5.101 1.00 0.00 H new ATOM 658 N GLU A 38 21.003 7.704 1.159 1.00 0.00 N ATOM 659 CA GLU A 38 21.921 7.635 0.028 1.00 0.00 C ATOM 660 C GLU A 38 21.985 8.975 -0.698 1.00 0.00 C ATOM 661 O GLU A 38 22.981 9.293 -1.349 1.00 0.00 O ATOM 662 CB GLU A 38 21.488 6.535 -0.942 1.00 0.00 C ATOM 663 CG GLU A 38 22.509 6.246 -2.029 1.00 0.00 C ATOM 664 CD GLU A 38 22.259 4.923 -2.726 1.00 0.00 C ATOM 665 OE1 GLU A 38 21.079 4.593 -2.970 1.00 0.00 O ATOM 666 OE2 GLU A 38 23.244 4.216 -3.029 1.00 0.00 O ATOM 0 H GLU A 38 20.074 7.328 0.971 1.00 0.00 H new ATOM 0 HA GLU A 38 22.914 7.399 0.410 1.00 0.00 H new ATOM 0 HB2 GLU A 38 21.299 5.620 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 38 20.546 6.823 -1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 38 22.488 7.050 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 38 23.508 6.239 -1.592 1.00 0.00 H new ATOM 673 N ASP A 39 20.915 9.757 -0.584 1.00 0.00 N ATOM 674 CA ASP A 39 20.851 11.063 -1.231 1.00 0.00 C ATOM 675 C ASP A 39 20.171 12.086 -0.329 1.00 0.00 C ATOM 676 O ASP A 39 19.434 12.952 -0.801 1.00 0.00 O ATOM 677 CB ASP A 39 20.102 10.960 -2.561 1.00 0.00 C ATOM 678 CG ASP A 39 20.562 9.780 -3.394 1.00 0.00 C ATOM 679 OD1 ASP A 39 21.789 9.556 -3.479 1.00 0.00 O ATOM 680 OD2 ASP A 39 19.698 9.080 -3.962 1.00 0.00 O ATOM 0 H ASP A 39 20.082 9.509 -0.050 1.00 0.00 H new ATOM 0 HA ASP A 39 21.871 11.396 -1.421 1.00 0.00 H new ATOM 0 HB2 ASP A 39 19.033 10.869 -2.367 1.00 0.00 H new ATOM 0 HB3 ASP A 39 20.246 11.880 -3.128 1.00 0.00 H new ATOM 685 N ASP A 40 20.421 11.982 0.973 1.00 0.00 N ATOM 686 CA ASP A 40 19.832 12.899 1.941 1.00 0.00 C ATOM 687 C ASP A 40 20.057 14.349 1.523 1.00 0.00 C ATOM 688 O ASP A 40 21.093 14.688 0.952 1.00 0.00 O ATOM 689 CB ASP A 40 20.424 12.659 3.329 1.00 0.00 C ATOM 690 CG ASP A 40 19.373 12.688 4.420 1.00 0.00 C ATOM 691 OD1 ASP A 40 18.401 13.462 4.289 1.00 0.00 O ATOM 692 OD2 ASP A 40 19.520 11.937 5.408 1.00 0.00 O ATOM 0 H ASP A 40 21.028 11.271 1.381 1.00 0.00 H new ATOM 0 HA ASP A 40 18.759 12.711 1.975 1.00 0.00 H new ATOM 0 HB2 ASP A 40 20.931 11.694 3.343 1.00 0.00 H new ATOM 0 HB3 ASP A 40 21.178 13.418 3.535 1.00 0.00 H new ATOM 697 N ASP A 41 19.079 15.201 1.812 1.00 0.00 N ATOM 698 CA ASP A 41 19.170 16.615 1.466 1.00 0.00 C ATOM 699 C ASP A 41 20.107 17.349 2.420 1.00 0.00 C ATOM 700 O ASP A 41 20.020 17.100 3.641 1.00 0.00 O ATOM 701 CB ASP A 41 17.783 17.260 1.500 1.00 0.00 C ATOM 702 CG ASP A 41 17.329 17.725 0.130 1.00 0.00 C ATOM 703 OD1 ASP A 41 17.569 16.995 -0.855 1.00 0.00 O ATOM 704 OD2 ASP A 41 16.732 18.819 0.042 1.00 0.00 O ATOM 705 OXT ASP A 41 20.922 18.163 1.938 1.00 0.00 O ATOM 0 H ASP A 41 18.215 14.937 2.285 1.00 0.00 H new ATOM 0 HA ASP A 41 19.575 16.691 0.457 1.00 0.00 H new ATOM 0 HB2 ASP A 41 17.062 16.545 1.895 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.797 18.109 2.183 1.00 0.00 H new TER 710 ASP A 41 ATOM 711 N ALA B 1 24.065 8.204 -4.693 1.00 0.00 N ATOM 712 CA ALA B 1 24.288 6.768 -5.003 1.00 0.00 C ATOM 713 C ALA B 1 25.777 6.446 -5.062 1.00 0.00 C ATOM 714 O ALA B 1 26.452 6.759 -6.043 1.00 0.00 O ATOM 715 CB ALA B 1 23.618 6.404 -6.320 1.00 0.00 C ATOM 0 H1 ALA B 1 23.084 8.343 -4.377 1.00 0.00 H new ATOM 0 H2 ALA B 1 24.717 8.502 -3.940 1.00 0.00 H new ATOM 0 H3 ALA B 1 24.238 8.774 -5.546 1.00 0.00 H new ATOM 0 HA ALA B 1 23.844 6.175 -4.204 1.00 0.00 H new ATOM 0 HB1 ALA B 1 23.789 5.349 -6.536 1.00 0.00 H new ATOM 0 HB2 ALA B 1 22.547 6.591 -6.247 1.00 0.00 H new ATOM 0 HB3 ALA B 1 24.038 7.011 -7.122 1.00 0.00 H new ATOM 723 N LEU B 2 26.284 5.820 -4.005 1.00 0.00 N ATOM 724 CA LEU B 2 27.694 5.456 -3.936 1.00 0.00 C ATOM 725 C LEU B 2 27.865 4.038 -3.398 1.00 0.00 C ATOM 726 O LEU B 2 28.902 3.701 -2.828 1.00 0.00 O ATOM 727 CB LEU B 2 28.456 6.444 -3.052 1.00 0.00 C ATOM 728 CG LEU B 2 28.140 7.919 -3.309 1.00 0.00 C ATOM 729 CD1 LEU B 2 27.588 8.574 -2.052 1.00 0.00 C ATOM 730 CD2 LEU B 2 29.382 8.655 -3.792 1.00 0.00 C ATOM 0 H LEU B 2 25.739 5.554 -3.185 1.00 0.00 H new ATOM 0 HA LEU B 2 28.102 5.494 -4.946 1.00 0.00 H new ATOM 0 HB2 LEU B 2 28.238 6.218 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU B 2 29.525 6.287 -3.195 1.00 0.00 H new ATOM 0 HG LEU B 2 27.381 7.976 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU B 2 27.369 9.623 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU B 2 26.674 8.065 -1.748 1.00 0.00 H new ATOM 0 HD13 LEU B 2 28.325 8.505 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU B 2 29.138 9.702 -3.970 1.00 0.00 H new ATOM 0 HD22 LEU B 2 30.163 8.588 -3.034 1.00 0.00 H new ATOM 0 HD23 LEU B 2 29.736 8.203 -4.719 1.00 0.00 H new ATOM 742 N LYS B 3 26.840 3.214 -3.582 1.00 0.00 N ATOM 743 CA LYS B 3 26.876 1.832 -3.115 1.00 0.00 C ATOM 744 C LYS B 3 26.203 0.901 -4.119 1.00 0.00 C ATOM 745 O LYS B 3 25.199 1.257 -4.735 1.00 0.00 O ATOM 746 CB LYS B 3 26.189 1.715 -1.753 1.00 0.00 C ATOM 747 CG LYS B 3 26.765 2.646 -0.699 1.00 0.00 C ATOM 748 CD LYS B 3 25.722 3.634 -0.200 1.00 0.00 C ATOM 749 CE LYS B 3 26.253 5.059 -0.214 1.00 0.00 C ATOM 750 NZ LYS B 3 25.481 5.949 0.696 1.00 0.00 N ATOM 0 H LYS B 3 25.974 3.478 -4.051 1.00 0.00 H new ATOM 0 HA LYS B 3 27.920 1.535 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS B 3 25.127 1.928 -1.872 1.00 0.00 H new ATOM 0 HB3 LYS B 3 26.271 0.687 -1.401 1.00 0.00 H new ATOM 0 HG2 LYS B 3 27.143 2.060 0.139 1.00 0.00 H new ATOM 0 HG3 LYS B 3 27.613 3.190 -1.116 1.00 0.00 H new ATOM 0 HD2 LYS B 3 24.831 3.570 -0.824 1.00 0.00 H new ATOM 0 HD3 LYS B 3 25.421 3.367 0.813 1.00 0.00 H new ATOM 0 HE2 LYS B 3 27.302 5.058 0.083 1.00 0.00 H new ATOM 0 HE3 LYS B 3 26.209 5.453 -1.230 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 25.819 6.927 0.594 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 24.471 5.904 0.451 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 25.613 5.638 1.680 1.00 0.00 H new ATOM 764 N LYS B 4 26.763 -0.294 -4.278 1.00 0.00 N ATOM 765 CA LYS B 4 26.217 -1.277 -5.206 1.00 0.00 C ATOM 766 C LYS B 4 25.346 -2.292 -4.474 1.00 0.00 C ATOM 767 O LYS B 4 24.127 -2.318 -4.647 1.00 0.00 O ATOM 768 CB LYS B 4 27.346 -1.994 -5.947 1.00 0.00 C ATOM 769 CG LYS B 4 27.857 -1.235 -7.160 1.00 0.00 C ATOM 770 CD LYS B 4 28.386 0.138 -6.777 1.00 0.00 C ATOM 771 CE LYS B 4 27.406 1.237 -7.152 1.00 0.00 C ATOM 772 NZ LYS B 4 27.973 2.593 -6.911 1.00 0.00 N ATOM 0 H LYS B 4 27.595 -0.605 -3.776 1.00 0.00 H new ATOM 0 HA LYS B 4 25.596 -0.749 -5.930 1.00 0.00 H new ATOM 0 HB2 LYS B 4 28.174 -2.160 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS B 4 26.995 -2.976 -6.265 1.00 0.00 H new ATOM 0 HG2 LYS B 4 28.648 -1.809 -7.643 1.00 0.00 H new ATOM 0 HG3 LYS B 4 27.053 -1.126 -7.888 1.00 0.00 H new ATOM 0 HD2 LYS B 4 28.576 0.169 -5.704 1.00 0.00 H new ATOM 0 HD3 LYS B 4 29.339 0.314 -7.275 1.00 0.00 H new ATOM 0 HE2 LYS B 4 27.135 1.138 -8.203 1.00 0.00 H new ATOM 0 HE3 LYS B 4 26.489 1.119 -6.574 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 27.274 3.314 -7.179 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 28.208 2.697 -5.903 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 28.834 2.716 -7.482 1.00 0.00 H new ATOM 786 N HIS B 5 25.977 -3.126 -3.653 1.00 0.00 N ATOM 787 CA HIS B 5 25.256 -4.141 -2.894 1.00 0.00 C ATOM 788 C HIS B 5 24.088 -3.517 -2.139 1.00 0.00 C ATOM 789 O HIS B 5 22.999 -4.089 -2.074 1.00 0.00 O ATOM 790 CB HIS B 5 26.199 -4.839 -1.913 1.00 0.00 C ATOM 791 CG HIS B 5 27.189 -3.915 -1.274 1.00 0.00 C ATOM 792 ND1 HIS B 5 27.021 -2.926 -0.365 1.00 0.00 N flip ATOM 793 CD2 HIS B 5 28.539 -3.949 -1.554 1.00 0.00 C flip ATOM 794 CE1 HIS B 5 28.259 -2.388 -0.116 1.00 0.00 C flip ATOM 795 NE2 HIS B 5 29.158 -3.022 -0.845 1.00 0.00 N flip ATOM 0 H HIS B 5 26.985 -3.119 -3.497 1.00 0.00 H new ATOM 0 HA HIS B 5 24.864 -4.879 -3.594 1.00 0.00 H new ATOM 0 HB2 HIS B 5 25.608 -5.320 -1.134 1.00 0.00 H new ATOM 0 HB3 HIS B 5 26.737 -5.628 -2.438 1.00 0.00 H new ATOM 0 HD2 HIS B 5 29.016 -4.628 -2.245 1.00 0.00 H new ATOM 0 HE1 HIS B 5 28.464 -1.577 0.567 1.00 0.00 H new ATOM 0 HE2 HIS B 5 30.160 -2.829 -0.859 1.00 0.00 H new ATOM 804 N HIS B 6 24.323 -2.338 -1.573 1.00 0.00 N ATOM 805 CA HIS B 6 23.292 -1.632 -0.824 1.00 0.00 C ATOM 806 C HIS B 6 22.111 -1.288 -1.724 1.00 0.00 C ATOM 807 O HIS B 6 20.955 -1.382 -1.311 1.00 0.00 O ATOM 808 CB HIS B 6 23.866 -0.355 -0.207 1.00 0.00 C ATOM 809 CG HIS B 6 23.452 -0.136 1.214 1.00 0.00 C ATOM 810 ND1 HIS B 6 23.241 -1.169 2.104 1.00 0.00 N ATOM 811 CD2 HIS B 6 23.210 1.005 1.902 1.00 0.00 C ATOM 812 CE1 HIS B 6 22.887 -0.672 3.277 1.00 0.00 C ATOM 813 NE2 HIS B 6 22.862 0.644 3.180 1.00 0.00 N ATOM 0 H HIS B 6 25.219 -1.852 -1.619 1.00 0.00 H new ATOM 0 HA HIS B 6 22.942 -2.287 -0.026 1.00 0.00 H new ATOM 0 HB2 HIS B 6 24.954 -0.395 -0.257 1.00 0.00 H new ATOM 0 HB3 HIS B 6 23.550 0.500 -0.804 1.00 0.00 H new ATOM 0 HD2 HIS B 6 23.278 2.012 1.517 1.00 0.00 H new ATOM 0 HE1 HIS B 6 22.657 -1.245 4.163 1.00 0.00 H new ATOM 0 HE2 HIS B 6 22.623 1.289 3.933 1.00 0.00 H new ATOM 822 N GLU B 7 22.408 -0.893 -2.958 1.00 0.00 N ATOM 823 CA GLU B 7 21.365 -0.541 -3.913 1.00 0.00 C ATOM 824 C GLU B 7 20.552 -1.770 -4.296 1.00 0.00 C ATOM 825 O GLU B 7 19.367 -1.669 -4.612 1.00 0.00 O ATOM 826 CB GLU B 7 21.978 0.095 -5.163 1.00 0.00 C ATOM 827 CG GLU B 7 21.023 1.015 -5.907 1.00 0.00 C ATOM 828 CD GLU B 7 21.645 2.356 -6.240 1.00 0.00 C ATOM 829 OE1 GLU B 7 22.891 2.436 -6.290 1.00 0.00 O ATOM 830 OE2 GLU B 7 20.888 3.326 -6.452 1.00 0.00 O ATOM 0 H GLU B 7 23.359 -0.809 -3.318 1.00 0.00 H new ATOM 0 HA GLU B 7 20.700 0.182 -3.441 1.00 0.00 H new ATOM 0 HB2 GLU B 7 22.864 0.660 -4.876 1.00 0.00 H new ATOM 0 HB3 GLU B 7 22.309 -0.695 -5.838 1.00 0.00 H new ATOM 0 HG2 GLU B 7 20.701 0.530 -6.828 1.00 0.00 H new ATOM 0 HG3 GLU B 7 20.131 1.173 -5.301 1.00 0.00 H new ATOM 837 N ASN B 8 21.194 -2.932 -4.256 1.00 0.00 N ATOM 838 CA ASN B 8 20.523 -4.182 -4.588 1.00 0.00 C ATOM 839 C ASN B 8 19.426 -4.472 -3.571 1.00 0.00 C ATOM 840 O ASN B 8 18.294 -4.800 -3.934 1.00 0.00 O ATOM 841 CB ASN B 8 21.527 -5.335 -4.622 1.00 0.00 C ATOM 842 CG ASN B 8 21.723 -5.889 -6.019 1.00 0.00 C ATOM 843 OD1 ASN B 8 20.939 -5.610 -6.926 1.00 0.00 O ATOM 844 ND2 ASN B 8 22.774 -6.682 -6.199 1.00 0.00 N ATOM 0 H ASN B 8 22.175 -3.034 -3.998 1.00 0.00 H new ATOM 0 HA ASN B 8 20.074 -4.084 -5.576 1.00 0.00 H new ATOM 0 HB2 ASN B 8 22.485 -4.991 -4.233 1.00 0.00 H new ATOM 0 HB3 ASN B 8 21.183 -6.132 -3.963 1.00 0.00 H new ATOM 0 HD21 ASN B 8 22.957 -7.086 -7.118 1.00 0.00 H new ATOM 0 HD22 ASN B 8 23.398 -6.887 -5.419 1.00 0.00 H new ATOM 851 N GLU B 9 19.767 -4.339 -2.294 1.00 0.00 N ATOM 852 CA GLU B 9 18.809 -4.577 -1.224 1.00 0.00 C ATOM 853 C GLU B 9 17.596 -3.673 -1.389 1.00 0.00 C ATOM 854 O GLU B 9 16.460 -4.147 -1.445 1.00 0.00 O ATOM 855 CB GLU B 9 19.460 -4.344 0.141 1.00 0.00 C ATOM 856 CG GLU B 9 19.214 -5.470 1.132 1.00 0.00 C ATOM 857 CD GLU B 9 20.243 -6.578 1.020 1.00 0.00 C ATOM 858 OE1 GLU B 9 20.068 -7.467 0.160 1.00 0.00 O ATOM 859 OE2 GLU B 9 21.225 -6.558 1.793 1.00 0.00 O ATOM 0 H GLU B 9 20.698 -4.068 -1.976 1.00 0.00 H new ATOM 0 HA GLU B 9 18.482 -5.615 -1.280 1.00 0.00 H new ATOM 0 HB2 GLU B 9 20.534 -4.219 0.005 1.00 0.00 H new ATOM 0 HB3 GLU B 9 19.081 -3.412 0.561 1.00 0.00 H new ATOM 0 HG2 GLU B 9 19.227 -5.067 2.145 1.00 0.00 H new ATOM 0 HG3 GLU B 9 18.219 -5.884 0.967 1.00 0.00 H new ATOM 866 N ILE B 10 17.837 -2.368 -1.479 1.00 0.00 N ATOM 867 CA ILE B 10 16.747 -1.424 -1.652 1.00 0.00 C ATOM 868 C ILE B 10 15.997 -1.711 -2.944 1.00 0.00 C ATOM 869 O ILE B 10 14.824 -1.379 -3.077 1.00 0.00 O ATOM 870 CB ILE B 10 17.241 0.033 -1.642 1.00 0.00 C ATOM 871 CG1 ILE B 10 18.061 0.345 -2.893 1.00 0.00 C ATOM 872 CG2 ILE B 10 18.062 0.289 -0.393 1.00 0.00 C ATOM 873 CD1 ILE B 10 18.597 1.761 -2.914 1.00 0.00 C ATOM 0 H ILE B 10 18.766 -1.948 -1.435 1.00 0.00 H new ATOM 0 HA ILE B 10 16.071 -1.551 -0.806 1.00 0.00 H new ATOM 0 HB ILE B 10 16.372 0.692 -1.640 1.00 0.00 H new ATOM 0 HG12 ILE B 10 18.895 -0.354 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE B 10 17.442 0.184 -3.776 1.00 0.00 H new ATOM 0 HG21 ILE B 10 18.409 1.322 -0.391 1.00 0.00 H new ATOM 0 HG22 ILE B 10 17.447 0.111 0.489 1.00 0.00 H new ATOM 0 HG23 ILE B 10 18.921 -0.382 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE B 10 19.170 1.920 -3.827 1.00 0.00 H new ATOM 0 HD12 ILE B 10 17.766 2.465 -2.880 1.00 0.00 H new ATOM 0 HD13 ILE B 10 19.242 1.919 -2.049 1.00 0.00 H new ATOM 885 N SER B 11 16.675 -2.353 -3.891 1.00 0.00 N ATOM 886 CA SER B 11 16.050 -2.704 -5.157 1.00 0.00 C ATOM 887 C SER B 11 14.860 -3.618 -4.901 1.00 0.00 C ATOM 888 O SER B 11 13.771 -3.414 -5.443 1.00 0.00 O ATOM 889 CB SER B 11 17.058 -3.392 -6.080 1.00 0.00 C ATOM 890 OG SER B 11 16.806 -3.075 -7.438 1.00 0.00 O ATOM 0 H SER B 11 17.651 -2.638 -3.805 1.00 0.00 H new ATOM 0 HA SER B 11 15.705 -1.793 -5.647 1.00 0.00 H new ATOM 0 HB2 SER B 11 18.069 -3.084 -5.813 1.00 0.00 H new ATOM 0 HB3 SER B 11 17.006 -4.472 -5.940 1.00 0.00 H new ATOM 0 HG SER B 11 17.465 -3.526 -8.007 1.00 0.00 H new ATOM 896 N HIS B 12 15.072 -4.619 -4.050 1.00 0.00 N ATOM 897 CA HIS B 12 14.012 -5.553 -3.704 1.00 0.00 C ATOM 898 C HIS B 12 12.912 -4.821 -2.928 1.00 0.00 C ATOM 899 O HIS B 12 11.729 -5.133 -3.063 1.00 0.00 O ATOM 900 CB HIS B 12 14.604 -6.752 -2.922 1.00 0.00 C ATOM 901 CG HIS B 12 13.956 -7.063 -1.602 1.00 0.00 C ATOM 902 ND1 HIS B 12 14.403 -6.886 -0.338 1.00 0.00 N flip ATOM 903 CD2 HIS B 12 12.703 -7.627 -1.489 1.00 0.00 C flip ATOM 904 CE1 HIS B 12 13.421 -7.342 0.508 1.00 0.00 C flip ATOM 905 NE2 HIS B 12 12.407 -7.783 -0.211 1.00 0.00 N flip ATOM 0 H HIS B 12 15.965 -4.801 -3.591 1.00 0.00 H new ATOM 0 HA HIS B 12 13.553 -5.957 -4.607 1.00 0.00 H new ATOM 0 HB2 HIS B 12 14.541 -7.639 -3.553 1.00 0.00 H new ATOM 0 HB3 HIS B 12 15.663 -6.560 -2.748 1.00 0.00 H new ATOM 0 HD2 HIS B 12 12.064 -7.899 -2.316 1.00 0.00 H new ATOM 0 HE1 HIS B 12 13.471 -7.340 1.587 1.00 0.00 H new ATOM 0 HE2 HIS B 12 11.541 -8.177 0.157 1.00 0.00 H new ATOM 914 N HIS B 13 13.314 -3.833 -2.128 1.00 0.00 N ATOM 915 CA HIS B 13 12.360 -3.046 -1.350 1.00 0.00 C ATOM 916 C HIS B 13 11.586 -2.085 -2.248 1.00 0.00 C ATOM 917 O HIS B 13 10.536 -1.576 -1.862 1.00 0.00 O ATOM 918 CB HIS B 13 13.072 -2.243 -0.261 1.00 0.00 C ATOM 919 CG HIS B 13 14.029 -3.038 0.566 1.00 0.00 C ATOM 920 ND1 HIS B 13 13.835 -4.364 0.889 1.00 0.00 N ATOM 921 CD2 HIS B 13 15.192 -2.675 1.148 1.00 0.00 C ATOM 922 CE1 HIS B 13 14.843 -4.783 1.637 1.00 0.00 C ATOM 923 NE2 HIS B 13 15.679 -3.776 1.808 1.00 0.00 N ATOM 0 H HIS B 13 14.289 -3.560 -2.003 1.00 0.00 H new ATOM 0 HA HIS B 13 11.665 -3.746 -0.886 1.00 0.00 H new ATOM 0 HB2 HIS B 13 13.612 -1.419 -0.728 1.00 0.00 H new ATOM 0 HB3 HIS B 13 12.323 -1.801 0.396 1.00 0.00 H new ATOM 0 HD2 HIS B 13 15.654 -1.700 1.103 1.00 0.00 H new ATOM 0 HE1 HIS B 13 14.961 -5.778 2.039 1.00 0.00 H new ATOM 0 HE2 HIS B 13 16.546 -3.810 2.344 1.00 0.00 H new ATOM 932 N ALA B 14 12.114 -1.830 -3.444 1.00 0.00 N ATOM 933 CA ALA B 14 11.467 -0.925 -4.383 1.00 0.00 C ATOM 934 C ALA B 14 10.326 -1.626 -5.102 1.00 0.00 C ATOM 935 O ALA B 14 9.264 -1.044 -5.321 1.00 0.00 O ATOM 936 CB ALA B 14 12.478 -0.387 -5.385 1.00 0.00 C ATOM 0 H ALA B 14 12.986 -2.238 -3.782 1.00 0.00 H new ATOM 0 HA ALA B 14 11.055 -0.086 -3.823 1.00 0.00 H new ATOM 0 HB1 ALA B 14 11.978 0.288 -6.080 1.00 0.00 H new ATOM 0 HB2 ALA B 14 13.263 0.153 -4.856 1.00 0.00 H new ATOM 0 HB3 ALA B 14 12.918 -1.216 -5.938 1.00 0.00 H new ATOM 942 N LYS B 15 10.547 -2.885 -5.460 1.00 0.00 N ATOM 943 CA LYS B 15 9.526 -3.666 -6.141 1.00 0.00 C ATOM 944 C LYS B 15 8.476 -4.151 -5.146 1.00 0.00 C ATOM 945 O LYS B 15 7.330 -4.409 -5.513 1.00 0.00 O ATOM 946 CB LYS B 15 10.157 -4.858 -6.863 1.00 0.00 C ATOM 947 CG LYS B 15 9.587 -5.097 -8.252 1.00 0.00 C ATOM 948 CD LYS B 15 10.589 -5.806 -9.149 1.00 0.00 C ATOM 949 CE LYS B 15 10.025 -7.109 -9.692 1.00 0.00 C ATOM 950 NZ LYS B 15 10.741 -7.556 -10.920 1.00 0.00 N ATOM 0 H LYS B 15 11.420 -3.384 -5.290 1.00 0.00 H new ATOM 0 HA LYS B 15 9.041 -3.028 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS B 15 11.232 -4.697 -6.943 1.00 0.00 H new ATOM 0 HB3 LYS B 15 10.013 -5.755 -6.261 1.00 0.00 H new ATOM 0 HG2 LYS B 15 8.678 -5.694 -8.176 1.00 0.00 H new ATOM 0 HG3 LYS B 15 9.306 -4.144 -8.700 1.00 0.00 H new ATOM 0 HD2 LYS B 15 10.863 -5.153 -9.978 1.00 0.00 H new ATOM 0 HD3 LYS B 15 11.501 -6.009 -8.588 1.00 0.00 H new ATOM 0 HE2 LYS B 15 10.098 -7.883 -8.928 1.00 0.00 H new ATOM 0 HE3 LYS B 15 8.966 -6.981 -9.916 1.00 0.00 H new ATOM 0 HZ1 LYS B 15 10.326 -8.448 -11.259 1.00 0.00 H new ATOM 0 HZ2 LYS B 15 10.650 -6.829 -11.659 1.00 0.00 H new ATOM 0 HZ3 LYS B 15 11.747 -7.703 -10.701 1.00 0.00 H new ATOM 964 N GLU B 16 8.876 -4.266 -3.882 1.00 0.00 N ATOM 965 CA GLU B 16 7.971 -4.713 -2.830 1.00 0.00 C ATOM 966 C GLU B 16 7.080 -3.568 -2.359 1.00 0.00 C ATOM 967 O GLU B 16 5.900 -3.768 -2.070 1.00 0.00 O ATOM 968 CB GLU B 16 8.764 -5.277 -1.650 1.00 0.00 C ATOM 969 CG GLU B 16 8.821 -6.796 -1.627 1.00 0.00 C ATOM 970 CD GLU B 16 9.623 -7.368 -2.779 1.00 0.00 C ATOM 971 OE1 GLU B 16 9.894 -6.620 -3.742 1.00 0.00 O ATOM 972 OE2 GLU B 16 9.981 -8.563 -2.719 1.00 0.00 O ATOM 0 H GLU B 16 9.822 -4.055 -3.563 1.00 0.00 H new ATOM 0 HA GLU B 16 7.337 -5.499 -3.240 1.00 0.00 H new ATOM 0 HB2 GLU B 16 9.780 -4.884 -1.685 1.00 0.00 H new ATOM 0 HB3 GLU B 16 8.317 -4.924 -0.721 1.00 0.00 H new ATOM 0 HG2 GLU B 16 9.260 -7.125 -0.685 1.00 0.00 H new ATOM 0 HG3 GLU B 16 7.807 -7.194 -1.662 1.00 0.00 H new ATOM 979 N ILE B 17 7.648 -2.367 -2.286 1.00 0.00 N ATOM 980 CA ILE B 17 6.896 -1.197 -1.853 1.00 0.00 C ATOM 981 C ILE B 17 5.977 -0.705 -2.966 1.00 0.00 C ATOM 982 O ILE B 17 4.873 -0.225 -2.708 1.00 0.00 O ATOM 983 CB ILE B 17 7.849 -0.065 -1.411 1.00 0.00 C ATOM 984 CG1 ILE B 17 7.073 1.116 -0.822 1.00 0.00 C ATOM 985 CG2 ILE B 17 8.723 0.383 -2.573 1.00 0.00 C ATOM 986 CD1 ILE B 17 6.307 1.935 -1.843 1.00 0.00 C ATOM 0 H ILE B 17 8.623 -2.181 -2.521 1.00 0.00 H new ATOM 0 HA ILE B 17 6.284 -1.488 -0.999 1.00 0.00 H new ATOM 0 HB ILE B 17 8.497 -0.457 -0.627 1.00 0.00 H new ATOM 0 HG12 ILE B 17 6.372 0.739 -0.077 1.00 0.00 H new ATOM 0 HG13 ILE B 17 7.772 1.770 -0.300 1.00 0.00 H new ATOM 0 HG21 ILE B 17 9.388 1.181 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE B 17 9.316 -0.460 -2.928 1.00 0.00 H new ATOM 0 HG23 ILE B 17 8.092 0.749 -3.383 1.00 0.00 H new ATOM 0 HD11 ILE B 17 5.787 2.750 -1.340 1.00 0.00 H new ATOM 0 HD12 ILE B 17 7.002 2.346 -2.575 1.00 0.00 H new ATOM 0 HD13 ILE B 17 5.581 1.299 -2.349 1.00 0.00 H new ATOM 998 N GLU B 18 6.433 -0.832 -4.208 1.00 0.00 N ATOM 999 CA GLU B 18 5.641 -0.401 -5.353 1.00 0.00 C ATOM 1000 C GLU B 18 4.564 -1.427 -5.686 1.00 0.00 C ATOM 1001 O GLU B 18 3.514 -1.087 -6.231 1.00 0.00 O ATOM 1002 CB GLU B 18 6.544 -0.177 -6.568 1.00 0.00 C ATOM 1003 CG GLU B 18 5.788 0.234 -7.820 1.00 0.00 C ATOM 1004 CD GLU B 18 6.560 -0.059 -9.090 1.00 0.00 C ATOM 1005 OE1 GLU B 18 7.647 0.530 -9.274 1.00 0.00 O ATOM 1006 OE2 GLU B 18 6.080 -0.879 -9.902 1.00 0.00 O ATOM 0 H GLU B 18 7.342 -1.228 -4.446 1.00 0.00 H new ATOM 0 HA GLU B 18 5.153 0.539 -5.094 1.00 0.00 H new ATOM 0 HB2 GLU B 18 7.278 0.592 -6.328 1.00 0.00 H new ATOM 0 HB3 GLU B 18 7.098 -1.093 -6.772 1.00 0.00 H new ATOM 0 HG2 GLU B 18 4.833 -0.290 -7.851 1.00 0.00 H new ATOM 0 HG3 GLU B 18 5.566 1.300 -7.772 1.00 0.00 H new ATOM 1013 N ARG B 19 4.833 -2.687 -5.357 1.00 0.00 N ATOM 1014 CA ARG B 19 3.888 -3.762 -5.625 1.00 0.00 C ATOM 1015 C ARG B 19 2.788 -3.811 -4.569 1.00 0.00 C ATOM 1016 O ARG B 19 1.637 -4.130 -4.876 1.00 0.00 O ATOM 1017 CB ARG B 19 4.616 -5.106 -5.680 1.00 0.00 C ATOM 1018 CG ARG B 19 3.693 -6.284 -5.949 1.00 0.00 C ATOM 1019 CD ARG B 19 4.216 -7.560 -5.308 1.00 0.00 C ATOM 1020 NE ARG B 19 3.580 -8.751 -5.863 1.00 0.00 N ATOM 1021 CZ ARG B 19 3.935 -9.309 -7.014 1.00 0.00 C ATOM 1022 NH1 ARG B 19 4.920 -8.784 -7.731 1.00 0.00 N ATOM 1023 NH2 ARG B 19 3.308 -10.392 -7.451 1.00 0.00 N ATOM 0 H ARG B 19 5.697 -2.987 -4.905 1.00 0.00 H new ATOM 0 HA ARG B 19 3.424 -3.564 -6.591 1.00 0.00 H new ATOM 0 HB2 ARG B 19 5.378 -5.066 -6.458 1.00 0.00 H new ATOM 0 HB3 ARG B 19 5.134 -5.269 -4.735 1.00 0.00 H new ATOM 0 HG2 ARG B 19 2.698 -6.063 -5.563 1.00 0.00 H new ATOM 0 HG3 ARG B 19 3.593 -6.431 -7.024 1.00 0.00 H new ATOM 0 HD2 ARG B 19 5.294 -7.623 -5.454 1.00 0.00 H new ATOM 0 HD3 ARG B 19 4.041 -7.523 -4.233 1.00 0.00 H new ATOM 0 HE ARG B 19 2.819 -9.179 -5.336 1.00 0.00 H new ATOM 0 HH11 ARG B 19 5.405 -7.951 -7.398 1.00 0.00 H new ATOM 0 HH12 ARG B 19 5.192 -9.213 -8.615 1.00 0.00 H new ATOM 0 HH21 ARG B 19 2.550 -10.799 -6.902 1.00 0.00 H new ATOM 0 HH22 ARG B 19 3.583 -10.818 -8.336 1.00 0.00 H new ATOM 1037 N LEU B 20 3.136 -3.490 -3.325 1.00 0.00 N ATOM 1038 CA LEU B 20 2.165 -3.506 -2.249 1.00 0.00 C ATOM 1039 C LEU B 20 1.319 -2.241 -2.289 1.00 0.00 C ATOM 1040 O LEU B 20 0.166 -2.243 -1.861 1.00 0.00 O ATOM 1041 CB LEU B 20 2.869 -3.653 -0.900 1.00 0.00 C ATOM 1042 CG LEU B 20 3.598 -4.982 -0.691 1.00 0.00 C ATOM 1043 CD1 LEU B 20 4.441 -4.934 0.574 1.00 0.00 C ATOM 1044 CD2 LEU B 20 2.603 -6.130 -0.626 1.00 0.00 C ATOM 0 H LEU B 20 4.078 -3.218 -3.045 1.00 0.00 H new ATOM 0 HA LEU B 20 1.505 -4.363 -2.380 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.588 -2.841 -0.792 1.00 0.00 H new ATOM 0 HB3 LEU B 20 2.131 -3.532 -0.107 1.00 0.00 H new ATOM 0 HG LEU B 20 4.261 -5.149 -1.540 1.00 0.00 H new ATOM 0 HD11 LEU B 20 4.952 -5.887 0.707 1.00 0.00 H new ATOM 0 HD12 LEU B 20 5.178 -4.136 0.490 1.00 0.00 H new ATOM 0 HD13 LEU B 20 3.797 -4.745 1.433 1.00 0.00 H new ATOM 0 HD21 LEU B 20 3.139 -7.068 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU B 20 1.915 -5.969 0.204 1.00 0.00 H new ATOM 0 HD23 LEU B 20 2.041 -6.177 -1.559 1.00 0.00 H new ATOM 1056 N GLN B 21 1.891 -1.166 -2.830 1.00 0.00 N ATOM 1057 CA GLN B 21 1.171 0.096 -2.951 1.00 0.00 C ATOM 1058 C GLN B 21 0.151 -0.004 -4.077 1.00 0.00 C ATOM 1059 O GLN B 21 -0.967 0.499 -3.965 1.00 0.00 O ATOM 1060 CB GLN B 21 2.141 1.255 -3.221 1.00 0.00 C ATOM 1061 CG GLN B 21 1.455 2.552 -3.620 1.00 0.00 C ATOM 1062 CD GLN B 21 1.776 3.694 -2.677 1.00 0.00 C ATOM 1063 OE1 GLN B 21 2.506 4.620 -3.030 1.00 0.00 O ATOM 1064 NE2 GLN B 21 1.231 3.635 -1.467 1.00 0.00 N ATOM 0 H GLN B 21 2.846 -1.146 -3.189 1.00 0.00 H new ATOM 0 HA GLN B 21 0.656 0.295 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN B 21 2.739 1.432 -2.327 1.00 0.00 H new ATOM 0 HB3 GLN B 21 2.831 0.962 -4.012 1.00 0.00 H new ATOM 0 HG2 GLN B 21 1.759 2.824 -4.631 1.00 0.00 H new ATOM 0 HG3 GLN B 21 0.376 2.396 -3.643 1.00 0.00 H new ATOM 0 HE21 GLN B 21 0.632 2.849 -1.215 1.00 0.00 H new ATOM 0 HE22 GLN B 21 1.412 4.376 -0.789 1.00 0.00 H new ATOM 1073 N LYS B 22 0.543 -0.671 -5.160 1.00 0.00 N ATOM 1074 CA LYS B 22 -0.339 -0.853 -6.304 1.00 0.00 C ATOM 1075 C LYS B 22 -1.573 -1.647 -5.893 1.00 0.00 C ATOM 1076 O LYS B 22 -2.701 -1.275 -6.219 1.00 0.00 O ATOM 1077 CB LYS B 22 0.397 -1.574 -7.435 1.00 0.00 C ATOM 1078 CG LYS B 22 -0.483 -1.884 -8.635 1.00 0.00 C ATOM 1079 CD LYS B 22 0.007 -3.117 -9.380 1.00 0.00 C ATOM 1080 CE LYS B 22 -0.355 -4.394 -8.640 1.00 0.00 C ATOM 1081 NZ LYS B 22 0.275 -5.593 -9.261 1.00 0.00 N ATOM 0 H LYS B 22 1.465 -1.093 -5.267 1.00 0.00 H new ATOM 0 HA LYS B 22 -0.652 0.128 -6.662 1.00 0.00 H new ATOM 0 HB2 LYS B 22 1.237 -0.960 -7.760 1.00 0.00 H new ATOM 0 HB3 LYS B 22 0.813 -2.505 -7.050 1.00 0.00 H new ATOM 0 HG2 LYS B 22 -1.510 -2.041 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS B 22 -0.493 -1.029 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS B 22 -0.429 -3.138 -10.379 1.00 0.00 H new ATOM 0 HD3 LYS B 22 1.088 -3.062 -9.506 1.00 0.00 H new ATOM 0 HE2 LYS B 22 -0.037 -4.314 -7.601 1.00 0.00 H new ATOM 0 HE3 LYS B 22 -1.438 -4.515 -8.633 1.00 0.00 H new ATOM 0 HZ1 LYS B 22 0.004 -6.443 -8.727 1.00 0.00 H new ATOM 0 HZ2 LYS B 22 -0.048 -5.684 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS B 22 1.310 -5.489 -9.244 1.00 0.00 H new ATOM 1095 N GLU B 23 -1.351 -2.740 -5.168 1.00 0.00 N ATOM 1096 CA GLU B 23 -2.449 -3.580 -4.705 1.00 0.00 C ATOM 1097 C GLU B 23 -3.406 -2.776 -3.832 1.00 0.00 C ATOM 1098 O GLU B 23 -4.617 -2.767 -4.063 1.00 0.00 O ATOM 1099 CB GLU B 23 -1.909 -4.780 -3.926 1.00 0.00 C ATOM 1100 CG GLU B 23 -2.695 -6.060 -4.163 1.00 0.00 C ATOM 1101 CD GLU B 23 -1.875 -7.125 -4.865 1.00 0.00 C ATOM 1102 OE1 GLU B 23 -0.832 -6.777 -5.457 1.00 0.00 O ATOM 1103 OE2 GLU B 23 -2.275 -8.307 -4.822 1.00 0.00 O ATOM 0 H GLU B 23 -0.424 -3.063 -4.890 1.00 0.00 H new ATOM 0 HA GLU B 23 -2.994 -3.943 -5.576 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -0.868 -4.945 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -1.921 -4.547 -2.861 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -3.047 -6.448 -3.207 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -3.579 -5.834 -4.760 1.00 0.00 H new ATOM 1110 N ILE B 24 -2.857 -2.094 -2.831 1.00 0.00 N ATOM 1111 CA ILE B 24 -3.673 -1.283 -1.937 1.00 0.00 C ATOM 1112 C ILE B 24 -4.315 -0.123 -2.688 1.00 0.00 C ATOM 1113 O ILE B 24 -5.301 0.454 -2.230 1.00 0.00 O ATOM 1114 CB ILE B 24 -2.858 -0.740 -0.747 1.00 0.00 C ATOM 1115 CG1 ILE B 24 -3.755 0.104 0.171 1.00 0.00 C ATOM 1116 CG2 ILE B 24 -1.647 0.047 -1.218 1.00 0.00 C ATOM 1117 CD1 ILE B 24 -3.864 1.566 -0.221 1.00 0.00 C ATOM 0 H ILE B 24 -1.859 -2.087 -2.621 1.00 0.00 H new ATOM 0 HA ILE B 24 -4.454 -1.935 -1.546 1.00 0.00 H new ATOM 0 HB ILE B 24 -2.484 -1.588 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE B 24 -4.754 -0.331 0.181 1.00 0.00 H new ATOM 0 HG13 ILE B 24 -3.371 0.042 1.189 1.00 0.00 H new ATOM 0 HG21 ILE B 24 -1.094 0.416 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE B 24 -1.002 -0.600 -1.813 1.00 0.00 H new ATOM 0 HG23 ILE B 24 -1.975 0.890 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE B 24 -4.516 2.084 0.482 1.00 0.00 H new ATOM 0 HD12 ILE B 24 -2.874 2.023 -0.202 1.00 0.00 H new ATOM 0 HD13 ILE B 24 -4.280 1.643 -1.226 1.00 0.00 H new ATOM 1129 N GLU B 25 -3.763 0.205 -3.856 1.00 0.00 N ATOM 1130 CA GLU B 25 -4.301 1.281 -4.674 1.00 0.00 C ATOM 1131 C GLU B 25 -5.632 0.853 -5.278 1.00 0.00 C ATOM 1132 O GLU B 25 -6.578 1.639 -5.351 1.00 0.00 O ATOM 1133 CB GLU B 25 -3.316 1.655 -5.781 1.00 0.00 C ATOM 1134 CG GLU B 25 -3.535 3.047 -6.348 1.00 0.00 C ATOM 1135 CD GLU B 25 -2.574 3.376 -7.473 1.00 0.00 C ATOM 1136 OE1 GLU B 25 -2.013 2.434 -8.070 1.00 0.00 O ATOM 1137 OE2 GLU B 25 -2.382 4.577 -7.757 1.00 0.00 O ATOM 0 H GLU B 25 -2.946 -0.260 -4.252 1.00 0.00 H new ATOM 0 HA GLU B 25 -4.459 2.156 -4.044 1.00 0.00 H new ATOM 0 HB2 GLU B 25 -2.301 1.587 -5.390 1.00 0.00 H new ATOM 0 HB3 GLU B 25 -3.396 0.927 -6.588 1.00 0.00 H new ATOM 0 HG2 GLU B 25 -4.559 3.129 -6.714 1.00 0.00 H new ATOM 0 HG3 GLU B 25 -3.421 3.782 -5.551 1.00 0.00 H new ATOM 1144 N ARG B 26 -5.700 -0.407 -5.696 1.00 0.00 N ATOM 1145 CA ARG B 26 -6.918 -0.954 -6.280 1.00 0.00 C ATOM 1146 C ARG B 26 -8.025 -1.013 -5.236 1.00 0.00 C ATOM 1147 O ARG B 26 -9.147 -0.558 -5.473 1.00 0.00 O ATOM 1148 CB ARG B 26 -6.656 -2.352 -6.846 1.00 0.00 C ATOM 1149 CG ARG B 26 -6.112 -2.342 -8.265 1.00 0.00 C ATOM 1150 CD ARG B 26 -5.426 -3.656 -8.606 1.00 0.00 C ATOM 1151 NE ARG B 26 -6.327 -4.582 -9.288 1.00 0.00 N ATOM 1152 CZ ARG B 26 -6.070 -5.876 -9.447 1.00 0.00 C ATOM 1153 NH1 ARG B 26 -4.945 -6.393 -8.974 1.00 0.00 N ATOM 1154 NH2 ARG B 26 -6.938 -6.654 -10.078 1.00 0.00 N ATOM 0 H ARG B 26 -4.925 -1.068 -5.641 1.00 0.00 H new ATOM 0 HA ARG B 26 -7.235 -0.300 -7.092 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -5.949 -2.870 -6.198 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -7.584 -2.923 -6.826 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -6.926 -2.162 -8.967 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -5.405 -1.520 -8.379 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -4.561 -3.460 -9.239 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -5.054 -4.119 -7.692 1.00 0.00 H new ATOM 0 HE ARG B 26 -7.202 -4.215 -9.663 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -4.275 -5.797 -8.487 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -4.749 -7.386 -9.097 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -7.805 -6.260 -10.443 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -6.739 -7.647 -10.199 1.00 0.00 H new ATOM 1168 N HIS B 27 -7.699 -1.561 -4.067 1.00 0.00 N ATOM 1169 CA HIS B 27 -8.663 -1.661 -2.983 1.00 0.00 C ATOM 1170 C HIS B 27 -9.024 -0.273 -2.470 1.00 0.00 C ATOM 1171 O HIS B 27 -10.092 -0.073 -1.896 1.00 0.00 O ATOM 1172 CB HIS B 27 -8.099 -2.514 -1.846 1.00 0.00 C ATOM 1173 CG HIS B 27 -8.633 -3.913 -1.826 1.00 0.00 C ATOM 1174 ND1 HIS B 27 -9.977 -4.205 -1.724 1.00 0.00 N ATOM 1175 CD2 HIS B 27 -7.994 -5.106 -1.894 1.00 0.00 C ATOM 1176 CE1 HIS B 27 -10.142 -5.517 -1.729 1.00 0.00 C ATOM 1177 NE2 HIS B 27 -8.956 -6.084 -1.833 1.00 0.00 N ATOM 0 H HIS B 27 -6.777 -1.940 -3.851 1.00 0.00 H new ATOM 0 HA HIS B 27 -9.565 -2.140 -3.363 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -7.013 -2.549 -1.933 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -8.327 -2.033 -0.895 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -6.928 -5.259 -1.980 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -11.087 -6.036 -1.660 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -8.781 -7.088 -1.863 1.00 0.00 H new ATOM 1186 N LYS B 28 -8.121 0.684 -2.684 1.00 0.00 N ATOM 1187 CA LYS B 28 -8.341 2.056 -2.246 1.00 0.00 C ATOM 1188 C LYS B 28 -9.285 2.788 -3.190 1.00 0.00 C ATOM 1189 O LYS B 28 -9.949 3.743 -2.796 1.00 0.00 O ATOM 1190 CB LYS B 28 -7.010 2.804 -2.152 1.00 0.00 C ATOM 1191 CG LYS B 28 -7.150 4.237 -1.663 1.00 0.00 C ATOM 1192 CD LYS B 28 -6.463 5.215 -2.601 1.00 0.00 C ATOM 1193 CE LYS B 28 -4.969 4.947 -2.690 1.00 0.00 C ATOM 1194 NZ LYS B 28 -4.169 6.103 -2.199 1.00 0.00 N ATOM 0 H LYS B 28 -7.231 0.531 -3.158 1.00 0.00 H new ATOM 0 HA LYS B 28 -8.802 2.024 -1.259 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -6.345 2.263 -1.479 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -6.535 2.809 -3.133 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -8.206 4.492 -1.579 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -6.721 4.326 -0.665 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -6.907 5.141 -3.594 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -6.631 6.234 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -4.723 4.061 -2.105 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -4.699 4.732 -3.724 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -3.156 5.882 -2.276 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -4.384 6.943 -2.773 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -4.407 6.293 -1.205 1.00 0.00 H new ATOM 1208 N GLN B 29 -9.344 2.333 -4.435 1.00 0.00 N ATOM 1209 CA GLN B 29 -10.216 2.950 -5.424 1.00 0.00 C ATOM 1210 C GLN B 29 -11.656 2.493 -5.226 1.00 0.00 C ATOM 1211 O GLN B 29 -12.592 3.277 -5.381 1.00 0.00 O ATOM 1212 CB GLN B 29 -9.744 2.608 -6.840 1.00 0.00 C ATOM 1213 CG GLN B 29 -10.586 3.248 -7.931 1.00 0.00 C ATOM 1214 CD GLN B 29 -10.270 2.696 -9.308 1.00 0.00 C ATOM 1215 OE1 GLN B 29 -9.925 3.443 -10.224 1.00 0.00 O ATOM 1216 NE2 GLN B 29 -10.390 1.382 -9.461 1.00 0.00 N ATOM 0 H GLN B 29 -8.801 1.543 -4.782 1.00 0.00 H new ATOM 0 HA GLN B 29 -10.173 4.031 -5.292 1.00 0.00 H new ATOM 0 HB2 GLN B 29 -8.709 2.928 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN B 29 -9.759 1.526 -6.968 1.00 0.00 H new ATOM 0 HG2 GLN B 29 -11.642 3.087 -7.712 1.00 0.00 H new ATOM 0 HG3 GLN B 29 -10.420 4.325 -7.928 1.00 0.00 H new ATOM 0 HE21 GLN B 29 -10.679 0.801 -8.674 1.00 0.00 H new ATOM 0 HE22 GLN B 29 -10.193 0.954 -10.366 1.00 0.00 H new ATOM 1225 N SER B 30 -11.824 1.223 -4.876 1.00 0.00 N ATOM 1226 CA SER B 30 -13.152 0.668 -4.649 1.00 0.00 C ATOM 1227 C SER B 30 -13.735 1.178 -3.333 1.00 0.00 C ATOM 1228 O SER B 30 -14.912 1.533 -3.257 1.00 0.00 O ATOM 1229 CB SER B 30 -13.095 -0.861 -4.638 1.00 0.00 C ATOM 1230 OG SER B 30 -13.739 -1.403 -5.778 1.00 0.00 O ATOM 0 H SER B 30 -11.060 0.561 -4.744 1.00 0.00 H new ATOM 0 HA SER B 30 -13.799 0.993 -5.464 1.00 0.00 H new ATOM 0 HB2 SER B 30 -12.056 -1.189 -4.613 1.00 0.00 H new ATOM 0 HB3 SER B 30 -13.571 -1.239 -3.733 1.00 0.00 H new ATOM 0 HG SER B 30 -13.688 -2.381 -5.749 1.00 0.00 H new ATOM 1236 N ILE B 31 -12.900 1.213 -2.298 1.00 0.00 N ATOM 1237 CA ILE B 31 -13.330 1.679 -0.984 1.00 0.00 C ATOM 1238 C ILE B 31 -13.501 3.194 -0.975 1.00 0.00 C ATOM 1239 O ILE B 31 -14.348 3.728 -0.258 1.00 0.00 O ATOM 1240 CB ILE B 31 -12.323 1.265 0.107 1.00 0.00 C ATOM 1241 CG1 ILE B 31 -12.770 1.754 1.483 1.00 0.00 C ATOM 1242 CG2 ILE B 31 -10.945 1.812 -0.217 1.00 0.00 C ATOM 1243 CD1 ILE B 31 -13.846 0.898 2.108 1.00 0.00 C ATOM 0 H ILE B 31 -11.923 0.924 -2.344 1.00 0.00 H new ATOM 0 HA ILE B 31 -14.291 1.212 -0.769 1.00 0.00 H new ATOM 0 HB ILE B 31 -12.279 0.176 0.130 1.00 0.00 H new ATOM 0 HG12 ILE B 31 -11.907 1.781 2.148 1.00 0.00 H new ATOM 0 HG13 ILE B 31 -13.136 2.777 1.395 1.00 0.00 H new ATOM 0 HG21 ILE B 31 -10.243 1.513 0.561 1.00 0.00 H new ATOM 0 HG22 ILE B 31 -10.613 1.417 -1.177 1.00 0.00 H new ATOM 0 HG23 ILE B 31 -10.988 2.900 -0.268 1.00 0.00 H new ATOM 0 HD11 ILE B 31 -14.114 1.305 3.083 1.00 0.00 H new ATOM 0 HD12 ILE B 31 -14.725 0.891 1.464 1.00 0.00 H new ATOM 0 HD13 ILE B 31 -13.476 -0.120 2.229 1.00 0.00 H new ATOM 1255 N LYS B 32 -12.703 3.880 -1.785 1.00 0.00 N ATOM 1256 CA LYS B 32 -12.780 5.332 -1.876 1.00 0.00 C ATOM 1257 C LYS B 32 -13.948 5.749 -2.765 1.00 0.00 C ATOM 1258 O LYS B 32 -14.462 6.861 -2.651 1.00 0.00 O ATOM 1259 CB LYS B 32 -11.473 5.905 -2.428 1.00 0.00 C ATOM 1260 CG LYS B 32 -11.464 7.422 -2.518 1.00 0.00 C ATOM 1261 CD LYS B 32 -10.273 7.924 -3.319 1.00 0.00 C ATOM 1262 CE LYS B 32 -10.387 7.541 -4.785 1.00 0.00 C ATOM 1263 NZ LYS B 32 -9.354 6.544 -5.181 1.00 0.00 N ATOM 0 H LYS B 32 -11.997 3.455 -2.386 1.00 0.00 H new ATOM 0 HA LYS B 32 -12.941 5.729 -0.874 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -10.648 5.582 -1.793 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -11.294 5.489 -3.420 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -12.388 7.766 -2.983 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -11.435 7.847 -1.515 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -10.204 9.008 -3.229 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -9.354 7.510 -2.904 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -11.379 7.132 -4.977 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -10.285 8.434 -5.402 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -9.621 6.109 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -8.434 7.019 -5.283 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -9.284 5.807 -4.450 1.00 0.00 H new ATOM 1277 N LYS B 33 -14.360 4.847 -3.653 1.00 0.00 N ATOM 1278 CA LYS B 33 -15.465 5.118 -4.561 1.00 0.00 C ATOM 1279 C LYS B 33 -16.802 5.035 -3.834 1.00 0.00 C ATOM 1280 O LYS B 33 -17.696 5.847 -4.073 1.00 0.00 O ATOM 1281 CB LYS B 33 -15.445 4.136 -5.733 1.00 0.00 C ATOM 1282 CG LYS B 33 -16.569 4.356 -6.732 1.00 0.00 C ATOM 1283 CD LYS B 33 -16.252 3.724 -8.077 1.00 0.00 C ATOM 1284 CE LYS B 33 -15.105 4.440 -8.773 1.00 0.00 C ATOM 1285 NZ LYS B 33 -14.173 3.485 -9.433 1.00 0.00 N ATOM 0 H LYS B 33 -13.943 3.922 -3.761 1.00 0.00 H new ATOM 0 HA LYS B 33 -15.344 6.131 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS B 33 -14.489 4.220 -6.250 1.00 0.00 H new ATOM 0 HB3 LYS B 33 -15.509 3.119 -5.345 1.00 0.00 H new ATOM 0 HG2 LYS B 33 -17.494 3.933 -6.339 1.00 0.00 H new ATOM 0 HG3 LYS B 33 -16.737 5.425 -6.862 1.00 0.00 H new ATOM 0 HD2 LYS B 33 -15.994 2.674 -7.935 1.00 0.00 H new ATOM 0 HD3 LYS B 33 -17.138 3.752 -8.711 1.00 0.00 H new ATOM 0 HE2 LYS B 33 -15.505 5.129 -9.517 1.00 0.00 H new ATOM 0 HE3 LYS B 33 -14.556 5.039 -8.046 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 -13.405 4.013 -9.896 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 -13.771 2.843 -8.720 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 -14.690 2.931 -10.145 1.00 0.00 H new ATOM 1299 N LEU B 34 -16.938 4.055 -2.943 1.00 0.00 N ATOM 1300 CA LEU B 34 -18.173 3.892 -2.190 1.00 0.00 C ATOM 1301 C LEU B 34 -18.244 4.909 -1.057 1.00 0.00 C ATOM 1302 O LEU B 34 -19.327 5.348 -0.668 1.00 0.00 O ATOM 1303 CB LEU B 34 -18.275 2.474 -1.631 1.00 0.00 C ATOM 1304 CG LEU B 34 -19.577 1.739 -1.957 1.00 0.00 C ATOM 1305 CD1 LEU B 34 -20.781 2.616 -1.649 1.00 0.00 C ATOM 1306 CD2 LEU B 34 -19.591 1.301 -3.413 1.00 0.00 C ATOM 0 H LEU B 34 -16.214 3.369 -2.728 1.00 0.00 H new ATOM 0 HA LEU B 34 -19.012 4.062 -2.865 1.00 0.00 H new ATOM 0 HB2 LEU B 34 -17.440 1.888 -2.014 1.00 0.00 H new ATOM 0 HB3 LEU B 34 -18.163 2.518 -0.548 1.00 0.00 H new ATOM 0 HG LEU B 34 -19.635 0.849 -1.330 1.00 0.00 H new ATOM 0 HD11 LEU B 34 -21.696 2.074 -1.888 1.00 0.00 H new ATOM 0 HD12 LEU B 34 -20.780 2.877 -0.591 1.00 0.00 H new ATOM 0 HD13 LEU B 34 -20.731 3.526 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU B 34 -20.524 0.780 -3.627 1.00 0.00 H new ATOM 0 HD22 LEU B 34 -19.508 2.176 -4.057 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -18.751 0.632 -3.600 1.00 0.00 H new ATOM 1318 N LYS B 35 -17.081 5.281 -0.534 1.00 0.00 N ATOM 1319 CA LYS B 35 -17.007 6.252 0.551 1.00 0.00 C ATOM 1320 C LYS B 35 -17.219 7.666 0.023 1.00 0.00 C ATOM 1321 O LYS B 35 -17.722 8.536 0.734 1.00 0.00 O ATOM 1322 CB LYS B 35 -15.656 6.155 1.261 1.00 0.00 C ATOM 1323 CG LYS B 35 -15.493 7.152 2.396 1.00 0.00 C ATOM 1324 CD LYS B 35 -14.175 7.901 2.294 1.00 0.00 C ATOM 1325 CE LYS B 35 -12.989 6.958 2.409 1.00 0.00 C ATOM 1326 NZ LYS B 35 -11.700 7.696 2.520 1.00 0.00 N ATOM 0 H LYS B 35 -16.177 4.925 -0.844 1.00 0.00 H new ATOM 0 HA LYS B 35 -17.798 6.026 1.266 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -15.533 5.146 1.654 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -14.860 6.312 0.533 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -16.319 7.863 2.379 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -15.543 6.629 3.351 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -14.129 8.431 1.343 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -14.121 8.653 3.081 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -13.117 6.318 3.282 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -12.959 6.305 1.537 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -10.916 7.016 2.596 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -11.565 8.287 1.675 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -11.718 8.300 3.366 1.00 0.00 H new ATOM 1340 N GLN B 36 -16.835 7.891 -1.231 1.00 0.00 N ATOM 1341 CA GLN B 36 -16.989 9.200 -1.852 1.00 0.00 C ATOM 1342 C GLN B 36 -18.385 9.352 -2.444 1.00 0.00 C ATOM 1343 O GLN B 36 -18.915 10.458 -2.536 1.00 0.00 O ATOM 1344 CB GLN B 36 -15.933 9.402 -2.939 1.00 0.00 C ATOM 1345 CG GLN B 36 -14.568 9.793 -2.397 1.00 0.00 C ATOM 1346 CD GLN B 36 -13.541 9.998 -3.495 1.00 0.00 C ATOM 1347 OE1 GLN B 36 -12.292 10.220 -3.102 1.00 0.00 O flip ATOM 1348 NE2 GLN B 36 -13.868 9.956 -4.680 1.00 0.00 N flip ATOM 0 H GLN B 36 -16.416 7.184 -1.835 1.00 0.00 H new ATOM 0 HA GLN B 36 -16.852 9.961 -1.084 1.00 0.00 H new ATOM 0 HB2 GLN B 36 -15.836 8.482 -3.515 1.00 0.00 H new ATOM 0 HB3 GLN B 36 -16.276 10.174 -3.628 1.00 0.00 H new ATOM 0 HG2 GLN B 36 -14.661 10.710 -1.816 1.00 0.00 H new ATOM 0 HG3 GLN B 36 -14.216 9.018 -1.716 1.00 0.00 H new ATOM 0 HE21 GLN B 36 -14.840 9.782 -4.935 1.00 0.00 H new ATOM 0 HE22 GLN B 36 -13.167 10.095 -5.408 1.00 0.00 H new ATOM 1357 N SER B 37 -18.976 8.229 -2.839 1.00 0.00 N ATOM 1358 CA SER B 37 -20.314 8.234 -3.416 1.00 0.00 C ATOM 1359 C SER B 37 -21.374 8.220 -2.319 1.00 0.00 C ATOM 1360 O SER B 37 -22.501 8.669 -2.526 1.00 0.00 O ATOM 1361 CB SER B 37 -20.500 7.026 -4.337 1.00 0.00 C ATOM 1362 OG SER B 37 -19.489 6.979 -5.328 1.00 0.00 O ATOM 0 H SER B 37 -18.549 7.305 -2.770 1.00 0.00 H new ATOM 0 HA SER B 37 -20.430 9.147 -4.000 1.00 0.00 H new ATOM 0 HB2 SER B 37 -20.479 6.109 -3.748 1.00 0.00 H new ATOM 0 HB3 SER B 37 -21.479 7.076 -4.814 1.00 0.00 H new ATOM 0 HG SER B 37 -18.915 6.200 -5.173 1.00 0.00 H new ATOM 1368 N GLU B 38 -21.003 7.704 -1.151 1.00 0.00 N ATOM 1369 CA GLU B 38 -21.919 7.635 -0.020 1.00 0.00 C ATOM 1370 C GLU B 38 -21.984 8.975 0.706 1.00 0.00 C ATOM 1371 O GLU B 38 -22.979 9.293 1.356 1.00 0.00 O ATOM 1372 CB GLU B 38 -21.485 6.535 0.949 1.00 0.00 C ATOM 1373 CG GLU B 38 -22.507 6.244 2.037 1.00 0.00 C ATOM 1374 CD GLU B 38 -22.255 4.922 2.734 1.00 0.00 C ATOM 1375 OE1 GLU B 38 -21.075 4.595 2.979 1.00 0.00 O ATOM 1376 OE2 GLU B 38 -23.238 4.213 3.036 1.00 0.00 O ATOM 0 H GLU B 38 -20.074 7.328 -0.964 1.00 0.00 H new ATOM 0 HA GLU B 38 -22.913 7.399 -0.401 1.00 0.00 H new ATOM 0 HB2 GLU B 38 -21.295 5.621 0.386 1.00 0.00 H new ATOM 0 HB3 GLU B 38 -20.543 6.824 1.415 1.00 0.00 H new ATOM 0 HG2 GLU B 38 -22.488 7.048 2.773 1.00 0.00 H new ATOM 0 HG3 GLU B 38 -23.505 6.236 1.600 1.00 0.00 H new ATOM 1383 N ASP B 39 -20.914 9.757 0.593 1.00 0.00 N ATOM 1384 CA ASP B 39 -20.850 11.062 1.240 1.00 0.00 C ATOM 1385 C ASP B 39 -20.169 12.086 0.339 1.00 0.00 C ATOM 1386 O ASP B 39 -19.433 12.952 0.811 1.00 0.00 O ATOM 1387 CB ASP B 39 -20.101 10.958 2.570 1.00 0.00 C ATOM 1388 CG ASP B 39 -20.562 9.778 3.403 1.00 0.00 C ATOM 1389 OD1 ASP B 39 -21.788 9.554 3.489 1.00 0.00 O ATOM 1390 OD2 ASP B 39 -19.696 9.078 3.969 1.00 0.00 O ATOM 0 H ASP B 39 -20.081 9.509 0.060 1.00 0.00 H new ATOM 0 HA ASP B 39 -21.870 11.395 1.429 1.00 0.00 H new ATOM 0 HB2 ASP B 39 -19.032 10.867 2.376 1.00 0.00 H new ATOM 0 HB3 ASP B 39 -20.244 11.878 3.137 1.00 0.00 H new ATOM 1395 N ASP B 40 -20.419 11.982 -0.963 1.00 0.00 N ATOM 1396 CA ASP B 40 -19.830 12.899 -1.930 1.00 0.00 C ATOM 1397 C ASP B 40 -20.054 14.349 -1.512 1.00 0.00 C ATOM 1398 O ASP B 40 -21.091 14.687 -0.939 1.00 0.00 O ATOM 1399 CB ASP B 40 -20.423 12.660 -3.320 1.00 0.00 C ATOM 1400 CG ASP B 40 -19.371 12.690 -4.411 1.00 0.00 C ATOM 1401 OD1 ASP B 40 -18.400 13.464 -4.278 1.00 0.00 O ATOM 1402 OD2 ASP B 40 -19.518 11.941 -5.399 1.00 0.00 O ATOM 0 H ASP B 40 -21.026 11.271 -1.372 1.00 0.00 H new ATOM 0 HA ASP B 40 -18.757 12.711 -1.963 1.00 0.00 H new ATOM 0 HB2 ASP B 40 -20.930 11.695 -3.335 1.00 0.00 H new ATOM 0 HB3 ASP B 40 -21.177 13.420 -3.526 1.00 0.00 H new ATOM 1407 N ASP B 41 -19.077 15.202 -1.802 1.00 0.00 N ATOM 1408 CA ASP B 41 -19.169 16.615 -1.456 1.00 0.00 C ATOM 1409 C ASP B 41 -20.107 17.349 -2.409 1.00 0.00 C ATOM 1410 O ASP B 41 -20.020 17.103 -3.630 1.00 0.00 O ATOM 1411 CB ASP B 41 -17.782 17.261 -1.491 1.00 0.00 C ATOM 1412 CG ASP B 41 -17.327 17.726 -0.121 1.00 0.00 C ATOM 1413 OD1 ASP B 41 -17.567 16.996 0.864 1.00 0.00 O ATOM 1414 OD2 ASP B 41 -16.731 18.820 -0.033 1.00 0.00 O ATOM 1415 OXT ASP B 41 -20.921 18.163 -1.926 1.00 0.00 O ATOM 0 H ASP B 41 -18.213 14.939 -2.276 1.00 0.00 H new ATOM 0 HA ASP B 41 -19.573 16.690 -0.447 1.00 0.00 H new ATOM 0 HB2 ASP B 41 -17.061 16.546 -1.887 1.00 0.00 H new ATOM 0 HB3 ASP B 41 -17.797 18.110 -2.174 1.00 0.00 H new TER 1420 ASP B 41