USER MOD reduce.3.24.130724 H: found=0, std=0, add=856, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 856 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 17 HIS : no HD1:sc= 0.626 K(o=1.3,f=-2) USER MOD Set 1.2: A 86 SER OG : rot -69:sc= 0.716 USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0723 (180deg=-0.514) USER MOD Single : A 1 MET N :NH3+ 155:sc= 1.27 (180deg=1.13) USER MOD Single : A 2 LYS NZ :NH3+ -133:sc=-0.00729 (180deg=-0.198) USER MOD Single : A 4 LYS NZ :NH3+ 170:sc= -0.0038 (180deg=-0.15) USER MOD Single : A 9 THR OG1 : rot 44:sc= 0.211 USER MOD Single : A 11 CYS SG : rot -136:sc= 0.503 USER MOD Single : A 13 THR OG1 : rot 82:sc= 0.998 USER MOD Single : A 18 THR OG1 : rot -126:sc= -1.59! USER MOD Single : A 19 TYR OH : rot 57:sc= 1.31 USER MOD Single : A 20 MET CE :methyl -159:sc= -0.189 (180deg=-0.798) USER MOD Single : A 23 GLN : amide:sc= 0.366 X(o=0.37,f=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -161:sc= -0.0954 (180deg=-0.446) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 168:sc=-0.00814 (180deg=-0.137) USER MOD Single : A 32 MET CE :methyl -157:sc= -0.149 (180deg=-0.852) USER MOD Single : A 34 ASN :FLIP amide:sc= -0.81 F(o=-1.9!,f=-0.81) USER MOD Single : A 37 LYS NZ :NH3+ 177:sc= 1.3 (180deg=1.1) USER MOD Single : A 40 THR OG1 : rot -178:sc= -1.43! USER MOD Single : A 41 GLN : amide:sc= -1.93 K(o=-1.9,f=-7.1!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0.97 K(o=0.97,f=-1.5!) USER MOD Single : A 51 THR OG1 : rot -55:sc= 1.16 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 1.23 K(o=1.2,f=-0.066) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.187 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= 0.066 K(o=0.066,f=-2.1!) USER MOD Single : A 72 LYS NZ :NH3+ 160:sc= 1.3 (180deg=0.742) USER MOD Single : A 78 LYS NZ :NH3+ -176:sc= 1.39 (180deg=1.26) USER MOD Single : A 90 LYS NZ :NH3+ -142:sc= 1.25 (180deg=0.865) USER MOD Single : A 94 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0849) USER MOD Single : A 97 ASN : amide:sc= 1.09 K(o=1.1,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.213 -2.367 -6.680 1.00 0.00 N ATOM 2 CA MET A 1 -15.199 -0.908 -6.420 1.00 0.00 C ATOM 3 C MET A 1 -13.926 -0.292 -6.975 1.00 0.00 C ATOM 4 O MET A 1 -12.830 -0.747 -6.671 1.00 0.00 O ATOM 5 CB MET A 1 -15.287 -0.628 -4.916 1.00 0.00 C ATOM 6 CG MET A 1 -15.345 0.857 -4.576 1.00 0.00 C ATOM 7 SD MET A 1 -15.300 1.181 -2.799 1.00 0.00 S ATOM 8 CE MET A 1 -16.765 0.307 -2.253 1.00 0.00 C ATOM 0 H1 MET A 1 -15.816 -2.839 -5.976 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.588 -2.546 -7.633 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.245 -2.741 -6.613 1.00 0.00 H new ATOM 0 HA MET A 1 -16.063 -0.464 -6.914 1.00 0.00 H new ATOM 0 HB2 MET A 1 -16.173 -1.119 -4.514 1.00 0.00 H new ATOM 0 HB3 MET A 1 -14.424 -1.073 -4.421 1.00 0.00 H new ATOM 0 HG2 MET A 1 -14.507 1.366 -5.053 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.257 1.284 -4.994 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.044 0.651 -1.257 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.583 0.500 -2.946 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.560 -0.763 -2.223 1.00 0.00 H new ATOM 20 N LYS A 2 -14.074 0.753 -7.776 1.00 0.00 N ATOM 21 CA LYS A 2 -12.929 1.425 -8.377 1.00 0.00 C ATOM 22 C LYS A 2 -12.332 2.431 -7.399 1.00 0.00 C ATOM 23 O LYS A 2 -12.268 3.629 -7.680 1.00 0.00 O ATOM 24 CB LYS A 2 -13.341 2.139 -9.669 1.00 0.00 C ATOM 25 CG LYS A 2 -13.925 1.216 -10.727 1.00 0.00 C ATOM 26 CD LYS A 2 -12.923 0.163 -11.167 1.00 0.00 C ATOM 27 CE LYS A 2 -13.504 -0.757 -12.227 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.708 -1.490 -11.744 1.00 0.00 N ATOM 0 H LYS A 2 -14.977 1.155 -8.026 1.00 0.00 H new ATOM 0 HA LYS A 2 -12.178 0.672 -8.616 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -14.074 2.909 -9.428 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -12.471 2.647 -10.085 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.816 0.728 -10.333 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -14.238 1.804 -11.590 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.030 0.651 -11.558 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.612 -0.426 -10.304 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.767 -0.171 -13.108 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -12.745 -1.475 -12.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -14.624 -2.497 -11.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.783 -1.393 -10.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -15.559 -1.093 -12.192 1.00 0.00 H new ATOM 42 N ARG A 3 -11.899 1.943 -6.245 1.00 0.00 N ATOM 43 CA ARG A 3 -11.377 2.818 -5.208 1.00 0.00 C ATOM 44 C ARG A 3 -9.886 3.053 -5.412 1.00 0.00 C ATOM 45 O ARG A 3 -9.141 2.133 -5.748 1.00 0.00 O ATOM 46 CB ARG A 3 -11.636 2.231 -3.817 1.00 0.00 C ATOM 47 CG ARG A 3 -11.730 3.296 -2.734 1.00 0.00 C ATOM 48 CD ARG A 3 -12.940 4.192 -2.955 1.00 0.00 C ATOM 49 NE ARG A 3 -12.978 5.323 -2.029 1.00 0.00 N ATOM 50 CZ ARG A 3 -13.929 5.508 -1.118 1.00 0.00 C ATOM 51 NH1 ARG A 3 -14.878 4.593 -0.947 1.00 0.00 N ATOM 52 NH2 ARG A 3 -13.920 6.607 -0.373 1.00 0.00 N ATOM 0 H ARG A 3 -11.899 0.952 -6.005 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.896 3.774 -5.278 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.563 1.657 -3.837 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -10.835 1.535 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.799 2.820 -1.756 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.822 3.899 -2.732 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -12.929 4.566 -3.979 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -13.850 3.603 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 3 -12.229 6.013 -2.085 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -14.878 3.746 -1.515 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -15.606 4.738 -0.247 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -13.186 7.304 -0.501 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.647 6.754 0.327 1.00 0.00 H new ATOM 66 N LYS A 4 -9.466 4.292 -5.218 1.00 0.00 N ATOM 67 CA LYS A 4 -8.073 4.673 -5.393 1.00 0.00 C ATOM 68 C LYS A 4 -7.295 4.373 -4.118 1.00 0.00 C ATOM 69 O LYS A 4 -7.710 4.770 -3.032 1.00 0.00 O ATOM 70 CB LYS A 4 -7.978 6.166 -5.717 1.00 0.00 C ATOM 71 CG LYS A 4 -9.035 6.648 -6.702 1.00 0.00 C ATOM 72 CD LYS A 4 -8.850 6.043 -8.083 1.00 0.00 C ATOM 73 CE LYS A 4 -9.991 6.435 -9.011 1.00 0.00 C ATOM 74 NZ LYS A 4 -10.113 7.910 -9.159 1.00 0.00 N ATOM 0 H LYS A 4 -10.077 5.059 -4.936 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.647 4.102 -6.218 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.069 6.736 -4.792 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.990 6.378 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.025 6.392 -6.324 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -8.993 7.735 -6.775 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -7.902 6.377 -8.506 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -8.798 4.957 -8.004 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -9.831 5.985 -9.991 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -10.927 6.032 -8.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -10.784 8.128 -9.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -10.457 8.321 -8.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -9.183 8.314 -9.390 1.00 0.00 H new ATOM 88 N ILE A 5 -6.186 3.660 -4.240 1.00 0.00 N ATOM 89 CA ILE A 5 -5.389 3.300 -3.074 1.00 0.00 C ATOM 90 C ILE A 5 -3.900 3.430 -3.380 1.00 0.00 C ATOM 91 O ILE A 5 -3.450 3.056 -4.463 1.00 0.00 O ATOM 92 CB ILE A 5 -5.685 1.848 -2.612 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.178 1.665 -2.309 1.00 0.00 C ATOM 94 CG2 ILE A 5 -4.849 1.492 -1.389 1.00 0.00 C ATOM 95 CD1 ILE A 5 -7.555 0.246 -1.932 1.00 0.00 C ATOM 0 H ILE A 5 -5.818 3.320 -5.128 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.661 3.987 -2.273 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.415 1.174 -3.425 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.459 2.334 -1.496 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.756 1.965 -3.183 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.071 0.470 -1.081 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.790 1.574 -1.635 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.086 2.176 -0.574 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.625 0.195 -1.732 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.306 -0.427 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.005 -0.052 -1.039 1.00 0.00 H new ATOM 107 N ILE A 6 -3.142 3.981 -2.439 1.00 0.00 N ATOM 108 CA ILE A 6 -1.690 3.982 -2.541 1.00 0.00 C ATOM 109 C ILE A 6 -1.110 3.108 -1.441 1.00 0.00 C ATOM 110 O ILE A 6 -1.515 3.196 -0.281 1.00 0.00 O ATOM 111 CB ILE A 6 -1.047 5.396 -2.485 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.317 6.116 -1.147 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.530 6.242 -3.654 1.00 0.00 C ATOM 114 CD1 ILE A 6 -2.706 6.704 -1.015 1.00 0.00 C ATOM 0 H ILE A 6 -3.508 4.431 -1.600 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.450 3.585 -3.527 1.00 0.00 H new ATOM 0 HB ILE A 6 0.032 5.262 -2.560 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.157 5.411 -0.332 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.586 6.915 -1.026 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -1.072 7.230 -3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.250 5.761 -4.591 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.614 6.342 -3.607 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.805 7.190 -0.044 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.867 7.437 -1.805 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.447 5.909 -1.100 1.00 0.00 H new ATOM 126 N ALA A 7 -0.187 2.243 -1.809 1.00 0.00 N ATOM 127 CA ALA A 7 0.377 1.301 -0.863 1.00 0.00 C ATOM 128 C ALA A 7 1.863 1.139 -1.092 1.00 0.00 C ATOM 129 O ALA A 7 2.304 0.969 -2.221 1.00 0.00 O ATOM 130 CB ALA A 7 -0.329 -0.040 -0.973 1.00 0.00 C ATOM 0 H ALA A 7 0.188 2.172 -2.755 1.00 0.00 H new ATOM 0 HA ALA A 7 0.229 1.691 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.104 -0.739 -0.257 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.390 0.089 -0.758 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.208 -0.433 -1.982 1.00 0.00 H new ATOM 136 N VAL A 8 2.636 1.197 -0.025 1.00 0.00 N ATOM 137 CA VAL A 8 4.074 1.062 -0.132 1.00 0.00 C ATOM 138 C VAL A 8 4.531 -0.259 0.469 1.00 0.00 C ATOM 139 O VAL A 8 4.377 -0.498 1.667 1.00 0.00 O ATOM 140 CB VAL A 8 4.815 2.225 0.560 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.320 2.092 0.376 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.332 3.567 0.026 1.00 0.00 C ATOM 0 H VAL A 8 2.292 1.337 0.925 1.00 0.00 H new ATOM 0 HA VAL A 8 4.320 1.087 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 8 4.593 2.179 1.626 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.822 2.923 0.872 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.658 1.152 0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.559 2.106 -0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.868 4.373 0.528 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.519 3.620 -1.047 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.263 3.670 0.214 1.00 0.00 H new ATOM 152 N THR A 9 5.060 -1.122 -0.377 1.00 0.00 N ATOM 153 CA THR A 9 5.658 -2.361 0.070 1.00 0.00 C ATOM 154 C THR A 9 7.165 -2.181 0.179 1.00 0.00 C ATOM 155 O THR A 9 7.857 -2.045 -0.834 1.00 0.00 O ATOM 156 CB THR A 9 5.332 -3.521 -0.892 1.00 0.00 C ATOM 157 OG1 THR A 9 5.560 -3.112 -2.247 1.00 0.00 O ATOM 158 CG2 THR A 9 3.890 -3.973 -0.728 1.00 0.00 C ATOM 0 H THR A 9 5.087 -0.984 -1.387 1.00 0.00 H new ATOM 0 HA THR A 9 5.244 -2.613 1.046 1.00 0.00 H new ATOM 0 HB THR A 9 5.986 -4.359 -0.651 1.00 0.00 H new ATOM 0 HG1 THR A 9 6.406 -2.620 -2.302 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.685 -4.792 -1.417 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.729 -4.311 0.296 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.221 -3.140 -0.944 1.00 0.00 H new ATOM 166 N ALA A 10 7.669 -2.147 1.402 1.00 0.00 N ATOM 167 CA ALA A 10 9.073 -1.846 1.628 1.00 0.00 C ATOM 168 C ALA A 10 9.746 -2.901 2.485 1.00 0.00 C ATOM 169 O ALA A 10 9.571 -2.931 3.702 1.00 0.00 O ATOM 170 CB ALA A 10 9.228 -0.473 2.264 1.00 0.00 C ATOM 0 H ALA A 10 7.130 -2.323 2.250 1.00 0.00 H new ATOM 0 HA ALA A 10 9.566 -1.846 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.286 -0.264 2.426 1.00 0.00 H new ATOM 0 HB2 ALA A 10 8.806 0.284 1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.704 -0.453 3.219 1.00 0.00 H new ATOM 176 N CYS A 11 10.514 -3.764 1.849 1.00 0.00 N ATOM 177 CA CYS A 11 11.268 -4.777 2.559 1.00 0.00 C ATOM 178 C CYS A 11 12.739 -4.665 2.196 1.00 0.00 C ATOM 179 O CYS A 11 13.091 -4.560 1.021 1.00 0.00 O ATOM 180 CB CYS A 11 10.746 -6.178 2.231 1.00 0.00 C ATOM 181 SG CYS A 11 11.548 -7.496 3.174 1.00 0.00 S ATOM 0 H CYS A 11 10.632 -3.783 0.836 1.00 0.00 H new ATOM 0 HA CYS A 11 11.147 -4.615 3.630 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.673 -6.209 2.421 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.887 -6.368 1.167 1.00 0.00 H new ATOM 0 HG CYS A 11 11.819 -8.492 2.384 1.00 0.00 H new ATOM 187 N ALA A 12 13.594 -4.656 3.203 1.00 0.00 N ATOM 188 CA ALA A 12 15.025 -4.556 2.974 1.00 0.00 C ATOM 189 C ALA A 12 15.715 -5.874 3.292 1.00 0.00 C ATOM 190 O ALA A 12 16.722 -6.227 2.675 1.00 0.00 O ATOM 191 CB ALA A 12 15.615 -3.429 3.808 1.00 0.00 C ATOM 0 H ALA A 12 13.324 -4.717 4.185 1.00 0.00 H new ATOM 0 HA ALA A 12 15.190 -4.332 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 12 16.688 -3.365 3.627 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.144 -2.486 3.531 1.00 0.00 H new ATOM 0 HB3 ALA A 12 15.437 -3.627 4.865 1.00 0.00 H new ATOM 197 N THR A 13 15.161 -6.605 4.248 1.00 0.00 N ATOM 198 CA THR A 13 15.734 -7.870 4.669 1.00 0.00 C ATOM 199 C THR A 13 15.530 -8.943 3.597 1.00 0.00 C ATOM 200 O THR A 13 16.487 -9.560 3.127 1.00 0.00 O ATOM 201 CB THR A 13 15.102 -8.333 5.991 1.00 0.00 C ATOM 202 OG1 THR A 13 15.012 -7.219 6.894 1.00 0.00 O ATOM 203 CG2 THR A 13 15.923 -9.444 6.628 1.00 0.00 C ATOM 0 H THR A 13 14.312 -6.340 4.747 1.00 0.00 H new ATOM 0 HA THR A 13 16.804 -7.721 4.817 1.00 0.00 H new ATOM 0 HB THR A 13 14.105 -8.721 5.781 1.00 0.00 H new ATOM 0 HG1 THR A 13 14.215 -6.690 6.682 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.454 -9.753 7.562 1.00 0.00 H new ATOM 0 HG22 THR A 13 15.974 -10.295 5.948 1.00 0.00 H new ATOM 0 HG23 THR A 13 16.931 -9.081 6.831 1.00 0.00 H new ATOM 211 N GLY A 14 14.282 -9.147 3.202 1.00 0.00 N ATOM 212 CA GLY A 14 13.978 -10.138 2.194 1.00 0.00 C ATOM 213 C GLY A 14 13.443 -9.510 0.928 1.00 0.00 C ATOM 214 O GLY A 14 12.242 -9.285 0.801 1.00 0.00 O ATOM 0 H GLY A 14 13.473 -8.642 3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 14 14.877 -10.709 1.964 1.00 0.00 H new ATOM 0 HA3 GLY A 14 13.245 -10.843 2.587 1.00 0.00 H new ATOM 218 N VAL A 15 14.333 -9.250 -0.019 1.00 0.00 N ATOM 219 CA VAL A 15 13.974 -8.581 -1.262 1.00 0.00 C ATOM 220 C VAL A 15 12.959 -9.385 -2.074 1.00 0.00 C ATOM 221 O VAL A 15 12.256 -8.837 -2.924 1.00 0.00 O ATOM 222 CB VAL A 15 15.224 -8.305 -2.118 1.00 0.00 C ATOM 223 CG1 VAL A 15 16.058 -7.200 -1.493 1.00 0.00 C ATOM 224 CG2 VAL A 15 16.057 -9.570 -2.291 1.00 0.00 C ATOM 0 H VAL A 15 15.320 -9.496 0.052 1.00 0.00 H new ATOM 0 HA VAL A 15 13.511 -7.633 -0.987 1.00 0.00 H new ATOM 0 HB VAL A 15 14.896 -7.979 -3.105 1.00 0.00 H new ATOM 0 HG11 VAL A 15 16.938 -7.016 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 15 15.464 -6.289 -1.427 1.00 0.00 H new ATOM 0 HG13 VAL A 15 16.371 -7.502 -0.494 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.934 -9.348 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 15 16.376 -9.932 -1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.458 -10.336 -2.784 1.00 0.00 H new ATOM 234 N ALA A 16 12.875 -10.685 -1.808 1.00 0.00 N ATOM 235 CA ALA A 16 11.890 -11.530 -2.468 1.00 0.00 C ATOM 236 C ALA A 16 10.489 -11.205 -1.963 1.00 0.00 C ATOM 237 O ALA A 16 9.501 -11.371 -2.679 1.00 0.00 O ATOM 238 CB ALA A 16 12.203 -13.000 -2.238 1.00 0.00 C ATOM 0 H ALA A 16 13.475 -11.173 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 16 11.932 -11.332 -3.539 1.00 0.00 H new ATOM 0 HB1 ALA A 16 11.455 -13.614 -2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 16 13.190 -13.229 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 16 12.189 -13.212 -1.169 1.00 0.00 H new ATOM 244 N HIS A 17 10.413 -10.717 -0.728 1.00 0.00 N ATOM 245 CA HIS A 17 9.135 -10.377 -0.113 1.00 0.00 C ATOM 246 C HIS A 17 8.594 -9.075 -0.686 1.00 0.00 C ATOM 247 O HIS A 17 7.389 -8.925 -0.850 1.00 0.00 O ATOM 248 CB HIS A 17 9.266 -10.263 1.414 1.00 0.00 C ATOM 249 CG HIS A 17 9.390 -11.583 2.119 1.00 0.00 C ATOM 250 ND1 HIS A 17 8.597 -11.944 3.189 1.00 0.00 N ATOM 251 CD2 HIS A 17 10.221 -12.629 1.905 1.00 0.00 C ATOM 252 CE1 HIS A 17 8.935 -13.150 3.597 1.00 0.00 C ATOM 253 NE2 HIS A 17 9.918 -13.590 2.836 1.00 0.00 N ATOM 0 H HIS A 17 11.224 -10.548 -0.133 1.00 0.00 H new ATOM 0 HA HIS A 17 8.435 -11.182 -0.339 1.00 0.00 H new ATOM 0 HB2 HIS A 17 10.139 -9.655 1.649 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.396 -9.735 1.804 1.00 0.00 H new ATOM 0 HD2 HIS A 17 10.982 -12.695 1.142 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.483 -13.688 4.417 1.00 0.00 H new ATOM 0 HE2 HIS A 17 10.378 -14.496 2.925 1.00 0.00 H new ATOM 262 N THR A 18 9.497 -8.152 -1.004 1.00 0.00 N ATOM 263 CA THR A 18 9.121 -6.853 -1.549 1.00 0.00 C ATOM 264 C THR A 18 8.267 -7.007 -2.809 1.00 0.00 C ATOM 265 O THR A 18 7.157 -6.482 -2.891 1.00 0.00 O ATOM 266 CB THR A 18 10.376 -6.026 -1.895 1.00 0.00 C ATOM 267 OG1 THR A 18 11.382 -6.227 -0.893 1.00 0.00 O ATOM 268 CG2 THR A 18 10.043 -4.544 -1.988 1.00 0.00 C ATOM 0 H THR A 18 10.502 -8.282 -0.892 1.00 0.00 H new ATOM 0 HA THR A 18 8.539 -6.337 -0.785 1.00 0.00 H new ATOM 0 HB THR A 18 10.748 -6.360 -2.864 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.667 -5.360 -0.537 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.945 -3.983 -2.233 1.00 0.00 H new ATOM 0 HG22 THR A 18 9.296 -4.387 -2.766 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.650 -4.199 -1.032 1.00 0.00 H new ATOM 276 N TYR A 19 8.782 -7.761 -3.774 1.00 0.00 N ATOM 277 CA TYR A 19 8.123 -7.904 -5.067 1.00 0.00 C ATOM 278 C TYR A 19 6.917 -8.831 -4.975 1.00 0.00 C ATOM 279 O TYR A 19 5.929 -8.648 -5.687 1.00 0.00 O ATOM 280 CB TYR A 19 9.111 -8.430 -6.110 1.00 0.00 C ATOM 281 CG TYR A 19 10.359 -7.584 -6.223 1.00 0.00 C ATOM 282 CD1 TYR A 19 10.290 -6.267 -6.658 1.00 0.00 C ATOM 283 CD2 TYR A 19 11.602 -8.099 -5.882 1.00 0.00 C ATOM 284 CE1 TYR A 19 11.424 -5.487 -6.751 1.00 0.00 C ATOM 285 CE2 TYR A 19 12.742 -7.322 -5.970 1.00 0.00 C ATOM 286 CZ TYR A 19 12.648 -6.019 -6.406 1.00 0.00 C ATOM 287 OH TYR A 19 13.779 -5.241 -6.496 1.00 0.00 O ATOM 0 H TYR A 19 9.654 -8.283 -3.685 1.00 0.00 H new ATOM 0 HA TYR A 19 7.770 -6.919 -5.373 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.393 -9.451 -5.852 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.618 -8.471 -7.081 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.333 -5.846 -6.928 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.680 -9.121 -5.543 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.353 -4.465 -7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.702 -7.735 -5.698 1.00 0.00 H new ATOM 0 HH TYR A 19 13.665 -4.434 -5.951 1.00 0.00 H new ATOM 297 N MET A 20 6.995 -9.826 -4.101 1.00 0.00 N ATOM 298 CA MET A 20 5.892 -10.764 -3.937 1.00 0.00 C ATOM 299 C MET A 20 4.706 -10.090 -3.262 1.00 0.00 C ATOM 300 O MET A 20 3.563 -10.273 -3.678 1.00 0.00 O ATOM 301 CB MET A 20 6.324 -11.987 -3.129 1.00 0.00 C ATOM 302 CG MET A 20 5.209 -13.005 -2.947 1.00 0.00 C ATOM 303 SD MET A 20 5.746 -14.469 -2.039 1.00 0.00 S ATOM 304 CE MET A 20 7.013 -15.101 -3.139 1.00 0.00 C ATOM 0 H MET A 20 7.801 -10.004 -3.501 1.00 0.00 H new ATOM 0 HA MET A 20 5.591 -11.095 -4.931 1.00 0.00 H new ATOM 0 HB2 MET A 20 7.167 -12.465 -3.628 1.00 0.00 H new ATOM 0 HB3 MET A 20 6.675 -11.663 -2.150 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.379 -12.538 -2.417 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.834 -13.306 -3.925 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.178 -16.159 -2.934 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.692 -14.978 -4.173 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.941 -14.551 -2.979 1.00 0.00 H new ATOM 314 N ALA A 21 4.985 -9.301 -2.230 1.00 0.00 N ATOM 315 CA ALA A 21 3.939 -8.601 -1.498 1.00 0.00 C ATOM 316 C ALA A 21 3.206 -7.629 -2.407 1.00 0.00 C ATOM 317 O ALA A 21 1.981 -7.570 -2.396 1.00 0.00 O ATOM 318 CB ALA A 21 4.523 -7.864 -0.307 1.00 0.00 C ATOM 0 H ALA A 21 5.929 -9.131 -1.882 1.00 0.00 H new ATOM 0 HA ALA A 21 3.226 -9.341 -1.135 1.00 0.00 H new ATOM 0 HB1 ALA A 21 3.726 -7.347 0.227 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.005 -8.577 0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 21 5.258 -7.138 -0.653 1.00 0.00 H new ATOM 324 N ALA A 22 3.965 -6.882 -3.200 1.00 0.00 N ATOM 325 CA ALA A 22 3.391 -5.912 -4.123 1.00 0.00 C ATOM 326 C ALA A 22 2.418 -6.576 -5.091 1.00 0.00 C ATOM 327 O ALA A 22 1.290 -6.118 -5.263 1.00 0.00 O ATOM 328 CB ALA A 22 4.498 -5.203 -4.890 1.00 0.00 C ATOM 0 H ALA A 22 4.984 -6.930 -3.222 1.00 0.00 H new ATOM 0 HA ALA A 22 2.834 -5.179 -3.540 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.059 -4.480 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.153 -4.686 -4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.076 -5.935 -5.454 1.00 0.00 H new ATOM 334 N GLN A 23 2.853 -7.671 -5.705 1.00 0.00 N ATOM 335 CA GLN A 23 2.035 -8.371 -6.690 1.00 0.00 C ATOM 336 C GLN A 23 0.841 -9.061 -6.035 1.00 0.00 C ATOM 337 O GLN A 23 -0.258 -9.065 -6.589 1.00 0.00 O ATOM 338 CB GLN A 23 2.881 -9.387 -7.458 1.00 0.00 C ATOM 339 CG GLN A 23 3.920 -8.744 -8.359 1.00 0.00 C ATOM 340 CD GLN A 23 4.821 -9.757 -9.030 1.00 0.00 C ATOM 341 OE1 GLN A 23 4.514 -10.261 -10.110 1.00 0.00 O ATOM 342 NE2 GLN A 23 5.937 -10.062 -8.391 1.00 0.00 N ATOM 0 H GLN A 23 3.767 -8.093 -5.539 1.00 0.00 H new ATOM 0 HA GLN A 23 1.649 -7.630 -7.390 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.383 -10.043 -6.747 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.225 -10.014 -8.062 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.416 -8.151 -9.122 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.528 -8.056 -7.771 1.00 0.00 H new ATOM 0 HE21 GLN A 23 6.150 -9.619 -7.497 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.585 -10.741 -8.791 1.00 0.00 H new ATOM 351 N ALA A 24 1.050 -9.633 -4.854 1.00 0.00 N ATOM 352 CA ALA A 24 -0.034 -10.281 -4.123 1.00 0.00 C ATOM 353 C ALA A 24 -1.061 -9.250 -3.672 1.00 0.00 C ATOM 354 O ALA A 24 -2.271 -9.488 -3.724 1.00 0.00 O ATOM 355 CB ALA A 24 0.514 -11.045 -2.928 1.00 0.00 C ATOM 0 H ALA A 24 1.955 -9.662 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.526 -10.990 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.307 -11.522 -2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.214 -11.806 -3.273 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.029 -10.355 -2.260 1.00 0.00 H new ATOM 361 N LEU A 25 -0.562 -8.100 -3.234 1.00 0.00 N ATOM 362 CA LEU A 25 -1.409 -6.978 -2.850 1.00 0.00 C ATOM 363 C LEU A 25 -2.207 -6.481 -4.055 1.00 0.00 C ATOM 364 O LEU A 25 -3.411 -6.245 -3.956 1.00 0.00 O ATOM 365 CB LEU A 25 -0.544 -5.854 -2.280 1.00 0.00 C ATOM 366 CG LEU A 25 -1.287 -4.596 -1.836 1.00 0.00 C ATOM 367 CD1 LEU A 25 -2.275 -4.911 -0.721 1.00 0.00 C ATOM 368 CD2 LEU A 25 -0.289 -3.544 -1.387 1.00 0.00 C ATOM 0 H LEU A 25 0.437 -7.920 -3.135 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.113 -7.305 -2.085 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.009 -6.246 -1.426 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.191 -5.571 -3.033 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.855 -4.209 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.791 -3.998 -0.423 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.003 -5.640 -1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.739 -5.321 0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.823 -2.648 -1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.297 -3.931 -0.553 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.376 -3.297 -2.214 1.00 0.00 H new ATOM 380 N LYS A 26 -1.527 -6.338 -5.193 1.00 0.00 N ATOM 381 CA LYS A 26 -2.187 -5.960 -6.440 1.00 0.00 C ATOM 382 C LYS A 26 -3.268 -6.969 -6.800 1.00 0.00 C ATOM 383 O LYS A 26 -4.365 -6.598 -7.214 1.00 0.00 O ATOM 384 CB LYS A 26 -1.181 -5.875 -7.594 1.00 0.00 C ATOM 385 CG LYS A 26 -0.220 -4.702 -7.507 1.00 0.00 C ATOM 386 CD LYS A 26 0.692 -4.656 -8.723 1.00 0.00 C ATOM 387 CE LYS A 26 1.667 -3.494 -8.650 1.00 0.00 C ATOM 388 NZ LYS A 26 2.486 -3.376 -9.885 1.00 0.00 N ATOM 0 H LYS A 26 -0.520 -6.478 -5.276 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.637 -4.979 -6.287 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.604 -6.799 -7.625 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -1.730 -5.810 -8.534 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.782 -3.771 -7.434 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.380 -4.785 -6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.246 -5.592 -8.798 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.089 -4.569 -9.627 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.115 -2.567 -8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.324 -3.626 -7.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.138 -2.571 -9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.032 -4.250 -10.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 1.861 -3.225 -10.703 1.00 0.00 H new ATOM 402 N LYS A 27 -2.949 -8.245 -6.628 1.00 0.00 N ATOM 403 CA LYS A 27 -3.857 -9.328 -6.972 1.00 0.00 C ATOM 404 C LYS A 27 -5.137 -9.240 -6.145 1.00 0.00 C ATOM 405 O LYS A 27 -6.238 -9.428 -6.664 1.00 0.00 O ATOM 406 CB LYS A 27 -3.171 -10.675 -6.739 1.00 0.00 C ATOM 407 CG LYS A 27 -3.792 -11.824 -7.514 1.00 0.00 C ATOM 408 CD LYS A 27 -3.689 -11.590 -9.013 1.00 0.00 C ATOM 409 CE LYS A 27 -4.108 -12.816 -9.807 1.00 0.00 C ATOM 410 NZ LYS A 27 -3.270 -14.000 -9.481 1.00 0.00 N ATOM 0 H LYS A 27 -2.056 -8.557 -6.247 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.122 -9.239 -8.026 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.120 -10.589 -7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.203 -10.908 -5.675 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.291 -12.756 -7.253 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.839 -11.934 -7.231 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.317 -10.744 -9.293 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.664 -11.324 -9.270 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.154 -13.043 -9.600 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.034 -12.601 -10.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.355 -14.705 -10.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -2.276 -13.708 -9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -3.591 -14.416 -8.584 1.00 0.00 H new ATOM 424 N GLY A 28 -4.986 -8.942 -4.861 1.00 0.00 N ATOM 425 CA GLY A 28 -6.138 -8.797 -3.992 1.00 0.00 C ATOM 426 C GLY A 28 -6.906 -7.519 -4.265 1.00 0.00 C ATOM 427 O GLY A 28 -8.137 -7.507 -4.255 1.00 0.00 O ATOM 0 H GLY A 28 -4.085 -8.798 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.801 -9.652 -4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.810 -8.806 -2.953 1.00 0.00 H new ATOM 431 N ALA A 29 -6.178 -6.441 -4.522 1.00 0.00 N ATOM 432 CA ALA A 29 -6.790 -5.152 -4.810 1.00 0.00 C ATOM 433 C ALA A 29 -7.553 -5.195 -6.127 1.00 0.00 C ATOM 434 O ALA A 29 -8.660 -4.670 -6.233 1.00 0.00 O ATOM 435 CB ALA A 29 -5.736 -4.059 -4.844 1.00 0.00 C ATOM 0 H ALA A 29 -5.158 -6.434 -4.537 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.499 -4.928 -4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.211 -3.102 -5.061 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -5.236 -4.005 -3.877 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.003 -4.284 -5.619 1.00 0.00 H new ATOM 441 N LYS A 30 -6.959 -5.834 -7.124 1.00 0.00 N ATOM 442 CA LYS A 30 -7.583 -5.953 -8.431 1.00 0.00 C ATOM 443 C LYS A 30 -8.795 -6.875 -8.356 1.00 0.00 C ATOM 444 O LYS A 30 -9.753 -6.718 -9.110 1.00 0.00 O ATOM 445 CB LYS A 30 -6.570 -6.473 -9.462 1.00 0.00 C ATOM 446 CG LYS A 30 -7.070 -6.489 -10.905 1.00 0.00 C ATOM 447 CD LYS A 30 -6.834 -5.162 -11.622 1.00 0.00 C ATOM 448 CE LYS A 30 -7.721 -4.043 -11.095 1.00 0.00 C ATOM 449 NZ LYS A 30 -7.575 -2.796 -11.890 1.00 0.00 N ATOM 0 H LYS A 30 -6.044 -6.279 -7.051 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.920 -4.966 -8.749 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.673 -5.856 -9.411 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -6.277 -7.485 -9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.567 -7.287 -11.451 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.136 -6.718 -10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.789 -4.874 -11.510 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.016 -5.293 -12.689 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.762 -4.366 -11.115 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.470 -3.841 -10.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.196 -2.060 -11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.587 -2.473 -11.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.840 -2.982 -12.879 1.00 0.00 H new ATOM 463 N LYS A 31 -8.748 -7.826 -7.428 1.00 0.00 N ATOM 464 CA LYS A 31 -9.873 -8.721 -7.178 1.00 0.00 C ATOM 465 C LYS A 31 -11.089 -7.917 -6.725 1.00 0.00 C ATOM 466 O LYS A 31 -12.230 -8.253 -7.044 1.00 0.00 O ATOM 467 CB LYS A 31 -9.496 -9.750 -6.109 1.00 0.00 C ATOM 468 CG LYS A 31 -10.600 -10.740 -5.785 1.00 0.00 C ATOM 469 CD LYS A 31 -10.196 -11.657 -4.645 1.00 0.00 C ATOM 470 CE LYS A 31 -11.279 -12.675 -4.332 1.00 0.00 C ATOM 471 NZ LYS A 31 -11.484 -13.634 -5.448 1.00 0.00 N ATOM 0 H LYS A 31 -7.937 -7.997 -6.833 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.120 -9.245 -8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.616 -10.300 -6.444 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.215 -9.224 -5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.509 -10.201 -5.517 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.831 -11.334 -6.669 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.273 -12.176 -4.905 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.988 -11.062 -3.756 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.011 -13.223 -3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -12.215 -12.156 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -12.076 -14.424 -5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -11.956 -13.151 -6.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -10.563 -13.999 -5.766 1.00 0.00 H new ATOM 485 N MET A 32 -10.824 -6.846 -5.989 1.00 0.00 N ATOM 486 CA MET A 32 -11.874 -5.956 -5.504 1.00 0.00 C ATOM 487 C MET A 32 -12.219 -4.909 -6.560 1.00 0.00 C ATOM 488 O MET A 32 -13.152 -4.122 -6.394 1.00 0.00 O ATOM 489 CB MET A 32 -11.422 -5.262 -4.217 1.00 0.00 C ATOM 490 CG MET A 32 -11.147 -6.219 -3.066 1.00 0.00 C ATOM 491 SD MET A 32 -12.652 -6.926 -2.370 1.00 0.00 S ATOM 492 CE MET A 32 -13.429 -5.454 -1.705 1.00 0.00 C ATOM 0 H MET A 32 -9.882 -6.570 -5.712 1.00 0.00 H new ATOM 0 HA MET A 32 -12.763 -6.552 -5.298 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.519 -4.688 -4.423 1.00 0.00 H new ATOM 0 HB3 MET A 32 -12.189 -4.551 -3.910 1.00 0.00 H new ATOM 0 HG2 MET A 32 -10.501 -7.024 -3.416 1.00 0.00 H new ATOM 0 HG3 MET A 32 -10.603 -5.691 -2.283 1.00 0.00 H new ATOM 0 HE1 MET A 32 -14.125 -5.735 -0.914 1.00 0.00 H new ATOM 0 HE2 MET A 32 -12.665 -4.792 -1.298 1.00 0.00 H new ATOM 0 HE3 MET A 32 -13.970 -4.938 -2.498 1.00 0.00 H new ATOM 502 N GLY A 33 -11.448 -4.905 -7.644 1.00 0.00 N ATOM 503 CA GLY A 33 -11.668 -3.962 -8.724 1.00 0.00 C ATOM 504 C GLY A 33 -11.092 -2.593 -8.427 1.00 0.00 C ATOM 505 O GLY A 33 -11.433 -1.614 -9.090 1.00 0.00 O ATOM 0 H GLY A 33 -10.668 -5.545 -7.793 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -11.219 -4.351 -9.638 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -12.738 -3.870 -8.909 1.00 0.00 H new ATOM 509 N ASN A 34 -10.201 -2.532 -7.449 1.00 0.00 N ATOM 510 CA ASN A 34 -9.635 -1.265 -7.004 1.00 0.00 C ATOM 511 C ASN A 34 -8.605 -0.739 -7.988 1.00 0.00 C ATOM 512 O ASN A 34 -8.146 -1.455 -8.885 1.00 0.00 O ATOM 513 CB ASN A 34 -8.964 -1.429 -5.642 1.00 0.00 C ATOM 514 CG ASN A 34 -9.930 -1.800 -4.538 1.00 0.00 C ATOM 515 OD1 ASN A 34 -9.518 -2.737 -3.703 1.00 0.00 O flip ATOM 516 ND2 ASN A 34 -11.041 -1.279 -4.452 1.00 0.00 N flip ATOM 0 H ASN A 34 -9.852 -3.348 -6.946 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.458 -0.554 -6.935 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -8.194 -2.197 -5.715 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -8.462 -0.498 -5.378 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -11.319 -0.558 -5.118 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -11.684 -1.568 -3.715 1.00 0.00 H new ATOM 523 N LEU A 35 -8.240 0.514 -7.798 1.00 0.00 N ATOM 524 CA LEU A 35 -7.175 1.136 -8.561 1.00 0.00 C ATOM 525 C LEU A 35 -6.057 1.519 -7.606 1.00 0.00 C ATOM 526 O LEU A 35 -6.080 2.591 -6.996 1.00 0.00 O ATOM 527 CB LEU A 35 -7.685 2.366 -9.318 1.00 0.00 C ATOM 528 CG LEU A 35 -8.756 2.084 -10.377 1.00 0.00 C ATOM 529 CD1 LEU A 35 -9.239 3.379 -11.007 1.00 0.00 C ATOM 530 CD2 LEU A 35 -8.218 1.143 -11.445 1.00 0.00 C ATOM 0 H LEU A 35 -8.673 1.130 -7.110 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.802 0.431 -9.304 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -8.089 3.075 -8.596 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.838 2.852 -9.802 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.602 1.602 -9.887 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.999 3.158 -11.756 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -9.665 4.022 -10.237 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -8.400 3.888 -11.481 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -8.993 0.955 -12.188 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.354 1.598 -11.929 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.921 0.201 -10.984 1.00 0.00 H new ATOM 542 N ILE A 36 -5.098 0.622 -7.450 1.00 0.00 N ATOM 543 CA ILE A 36 -4.068 0.784 -6.444 1.00 0.00 C ATOM 544 C ILE A 36 -2.712 1.044 -7.086 1.00 0.00 C ATOM 545 O ILE A 36 -2.410 0.526 -8.164 1.00 0.00 O ATOM 546 CB ILE A 36 -3.992 -0.466 -5.530 1.00 0.00 C ATOM 547 CG1 ILE A 36 -3.050 -0.214 -4.350 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.544 -1.688 -6.323 1.00 0.00 C ATOM 549 CD1 ILE A 36 -2.991 -1.357 -3.359 1.00 0.00 C ATOM 0 H ILE A 36 -5.013 -0.227 -8.009 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.333 1.648 -5.835 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.990 -0.662 -5.137 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.047 -0.025 -4.732 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.368 0.689 -3.830 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.498 -2.554 -5.662 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -4.256 -1.882 -7.126 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.558 -1.504 -6.749 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.303 -1.104 -2.552 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -3.985 -1.533 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.643 -2.258 -3.863 1.00 0.00 H new ATOM 561 N LYS A 37 -1.915 1.871 -6.440 1.00 0.00 N ATOM 562 CA LYS A 37 -0.552 2.113 -6.869 1.00 0.00 C ATOM 563 C LYS A 37 0.408 1.637 -5.789 1.00 0.00 C ATOM 564 O LYS A 37 0.558 2.279 -4.748 1.00 0.00 O ATOM 565 CB LYS A 37 -0.336 3.600 -7.172 1.00 0.00 C ATOM 566 CG LYS A 37 -1.215 4.126 -8.303 1.00 0.00 C ATOM 567 CD LYS A 37 -0.971 3.372 -9.604 1.00 0.00 C ATOM 568 CE LYS A 37 0.377 3.715 -10.219 1.00 0.00 C ATOM 569 NZ LYS A 37 0.372 5.068 -10.840 1.00 0.00 N ATOM 0 H LYS A 37 -2.191 2.392 -5.608 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.361 1.556 -7.786 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.534 4.179 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.710 3.761 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.264 4.035 -8.021 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.017 5.187 -8.455 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.021 2.300 -9.416 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.764 3.608 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.149 3.670 -9.451 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.633 2.970 -10.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 1.322 5.287 -11.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.312 5.088 -11.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 0.103 5.776 -10.127 1.00 0.00 H new ATOM 583 N VAL A 38 1.019 0.485 -6.024 1.00 0.00 N ATOM 584 CA VAL A 38 1.901 -0.126 -5.039 1.00 0.00 C ATOM 585 C VAL A 38 3.353 0.270 -5.283 1.00 0.00 C ATOM 586 O VAL A 38 3.930 -0.058 -6.319 1.00 0.00 O ATOM 587 CB VAL A 38 1.788 -1.663 -5.052 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.609 -2.269 -3.924 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.337 -2.099 -4.949 1.00 0.00 C ATOM 0 H VAL A 38 0.920 -0.046 -6.889 1.00 0.00 H new ATOM 0 HA VAL A 38 1.585 0.242 -4.063 1.00 0.00 H new ATOM 0 HB VAL A 38 2.185 -2.025 -6.001 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.517 -3.355 -3.949 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.656 -1.991 -4.046 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.244 -1.896 -2.967 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.283 -3.188 -4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.091 -1.724 -4.019 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.224 -1.699 -5.794 1.00 0.00 H new ATOM 599 N GLU A 39 3.932 0.955 -4.312 1.00 0.00 N ATOM 600 CA GLU A 39 5.296 1.448 -4.405 1.00 0.00 C ATOM 601 C GLU A 39 6.258 0.453 -3.762 1.00 0.00 C ATOM 602 O GLU A 39 5.891 -0.258 -2.826 1.00 0.00 O ATOM 603 CB GLU A 39 5.386 2.811 -3.713 1.00 0.00 C ATOM 604 CG GLU A 39 6.768 3.432 -3.732 1.00 0.00 C ATOM 605 CD GLU A 39 6.770 4.854 -3.211 1.00 0.00 C ATOM 606 OE1 GLU A 39 6.805 5.039 -1.974 1.00 0.00 O ATOM 607 OE2 GLU A 39 6.749 5.790 -4.040 1.00 0.00 O ATOM 0 H GLU A 39 3.468 1.186 -3.434 1.00 0.00 H new ATOM 0 HA GLU A 39 5.575 1.561 -5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.687 3.496 -4.193 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.064 2.701 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.444 2.826 -3.128 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.154 3.421 -4.751 1.00 0.00 H new ATOM 614 N THR A 40 7.478 0.389 -4.271 1.00 0.00 N ATOM 615 CA THR A 40 8.458 -0.553 -3.768 1.00 0.00 C ATOM 616 C THR A 40 9.706 0.159 -3.244 1.00 0.00 C ATOM 617 O THR A 40 10.477 0.741 -4.012 1.00 0.00 O ATOM 618 CB THR A 40 8.850 -1.575 -4.857 1.00 0.00 C ATOM 619 OG1 THR A 40 8.983 -0.919 -6.127 1.00 0.00 O ATOM 620 CG2 THR A 40 7.813 -2.684 -4.965 1.00 0.00 C ATOM 0 H THR A 40 7.811 0.980 -5.033 1.00 0.00 H new ATOM 0 HA THR A 40 7.996 -1.085 -2.936 1.00 0.00 H new ATOM 0 HB THR A 40 9.805 -2.017 -4.573 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.202 -1.581 -6.816 1.00 0.00 H new ATOM 0 HG21 THR A 40 8.114 -3.390 -5.739 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.736 -3.204 -4.010 1.00 0.00 H new ATOM 0 HG23 THR A 40 6.845 -2.253 -5.223 1.00 0.00 H new ATOM 628 N GLN A 41 9.882 0.125 -1.931 1.00 0.00 N ATOM 629 CA GLN A 41 11.065 0.681 -1.289 1.00 0.00 C ATOM 630 C GLN A 41 11.843 -0.441 -0.618 1.00 0.00 C ATOM 631 O GLN A 41 11.263 -1.432 -0.184 1.00 0.00 O ATOM 632 CB GLN A 41 10.657 1.755 -0.271 1.00 0.00 C ATOM 633 CG GLN A 41 11.800 2.251 0.607 1.00 0.00 C ATOM 634 CD GLN A 41 11.484 3.564 1.300 1.00 0.00 C ATOM 635 OE1 GLN A 41 10.329 3.894 1.553 1.00 0.00 O ATOM 636 NE2 GLN A 41 12.516 4.324 1.620 1.00 0.00 N ATOM 0 H GLN A 41 9.211 -0.287 -1.282 1.00 0.00 H new ATOM 0 HA GLN A 41 11.703 1.153 -2.036 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.231 2.603 -0.806 1.00 0.00 H new ATOM 0 HB3 GLN A 41 9.871 1.354 0.368 1.00 0.00 H new ATOM 0 HG2 GLN A 41 12.029 1.495 1.358 1.00 0.00 H new ATOM 0 HG3 GLN A 41 12.694 2.374 -0.004 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.463 4.019 1.395 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.366 5.216 2.092 1.00 0.00 H new ATOM 645 N GLY A 42 13.152 -0.304 -0.566 1.00 0.00 N ATOM 646 CA GLY A 42 13.968 -1.319 0.059 1.00 0.00 C ATOM 647 C GLY A 42 15.206 -0.736 0.692 1.00 0.00 C ATOM 648 O GLY A 42 15.286 -0.592 1.913 1.00 0.00 O ATOM 0 H GLY A 42 13.667 0.491 -0.945 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.383 -1.838 0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.256 -2.062 -0.685 1.00 0.00 H new ATOM 652 N ALA A 43 16.169 -0.379 -0.139 1.00 0.00 N ATOM 653 CA ALA A 43 17.416 0.178 0.350 1.00 0.00 C ATOM 654 C ALA A 43 17.485 1.671 0.074 1.00 0.00 C ATOM 655 O ALA A 43 18.102 2.100 -0.899 1.00 0.00 O ATOM 656 CB ALA A 43 18.605 -0.543 -0.271 1.00 0.00 C ATOM 0 H ALA A 43 16.111 -0.465 -1.154 1.00 0.00 H new ATOM 0 HA ALA A 43 17.455 0.032 1.430 1.00 0.00 H new ATOM 0 HB1 ALA A 43 19.531 -0.111 0.108 1.00 0.00 H new ATOM 0 HB2 ALA A 43 18.565 -1.601 -0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 43 18.571 -0.434 -1.355 1.00 0.00 H new ATOM 662 N THR A 44 16.801 2.447 0.917 1.00 0.00 N ATOM 663 CA THR A 44 16.788 3.910 0.828 1.00 0.00 C ATOM 664 C THR A 44 15.996 4.428 -0.380 1.00 0.00 C ATOM 665 O THR A 44 15.286 5.431 -0.277 1.00 0.00 O ATOM 666 CB THR A 44 18.224 4.477 0.787 1.00 0.00 C ATOM 667 OG1 THR A 44 18.958 4.014 1.929 1.00 0.00 O ATOM 668 CG2 THR A 44 18.221 6.000 0.767 1.00 0.00 C ATOM 0 H THR A 44 16.238 2.078 1.684 1.00 0.00 H new ATOM 0 HA THR A 44 16.283 4.261 1.728 1.00 0.00 H new ATOM 0 HB THR A 44 18.699 4.126 -0.129 1.00 0.00 H new ATOM 0 HG1 THR A 44 19.869 4.374 1.900 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.247 6.366 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 44 17.686 6.351 -0.115 1.00 0.00 H new ATOM 0 HG23 THR A 44 17.727 6.375 1.664 1.00 0.00 H new ATOM 676 N GLY A 45 16.088 3.733 -1.502 1.00 0.00 N ATOM 677 CA GLY A 45 15.539 4.242 -2.737 1.00 0.00 C ATOM 678 C GLY A 45 14.163 3.697 -3.031 1.00 0.00 C ATOM 679 O GLY A 45 13.675 2.803 -2.331 1.00 0.00 O ATOM 0 H GLY A 45 16.536 2.820 -1.578 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.491 5.330 -2.688 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.209 3.989 -3.559 1.00 0.00 H new ATOM 683 N ILE A 46 13.545 4.235 -4.067 1.00 0.00 N ATOM 684 CA ILE A 46 12.210 3.829 -4.464 1.00 0.00 C ATOM 685 C ILE A 46 12.235 3.288 -5.887 1.00 0.00 C ATOM 686 O ILE A 46 12.726 3.952 -6.800 1.00 0.00 O ATOM 687 CB ILE A 46 11.225 5.017 -4.410 1.00 0.00 C ATOM 688 CG1 ILE A 46 11.202 5.661 -3.018 1.00 0.00 C ATOM 689 CG2 ILE A 46 9.833 4.562 -4.807 1.00 0.00 C ATOM 690 CD1 ILE A 46 10.645 4.764 -1.935 1.00 0.00 C ATOM 0 H ILE A 46 13.953 4.963 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 46 11.878 3.058 -3.769 1.00 0.00 H new ATOM 0 HB ILE A 46 11.567 5.771 -5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.217 5.953 -2.747 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.608 6.574 -3.061 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.148 5.409 -4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 46 9.856 4.164 -5.821 1.00 0.00 H new ATOM 0 HG23 ILE A 46 9.494 3.786 -4.120 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.662 5.291 -0.981 1.00 0.00 H new ATOM 0 HD12 ILE A 46 9.618 4.492 -2.180 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.252 3.862 -1.862 1.00 0.00 H new ATOM 702 N GLU A 47 11.709 2.091 -6.083 1.00 0.00 N ATOM 703 CA GLU A 47 11.671 1.504 -7.411 1.00 0.00 C ATOM 704 C GLU A 47 10.433 1.977 -8.162 1.00 0.00 C ATOM 705 O GLU A 47 10.531 2.790 -9.084 1.00 0.00 O ATOM 706 CB GLU A 47 11.714 -0.020 -7.341 1.00 0.00 C ATOM 707 CG GLU A 47 13.026 -0.564 -6.801 1.00 0.00 C ATOM 708 CD GLU A 47 13.107 -2.070 -6.892 1.00 0.00 C ATOM 709 OE1 GLU A 47 12.907 -2.612 -8.000 1.00 0.00 O ATOM 710 OE2 GLU A 47 13.368 -2.719 -5.861 1.00 0.00 O ATOM 0 H GLU A 47 11.306 1.511 -5.347 1.00 0.00 H new ATOM 0 HA GLU A 47 12.555 1.835 -7.956 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.897 -0.370 -6.710 1.00 0.00 H new ATOM 0 HB3 GLU A 47 11.544 -0.427 -8.338 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.854 -0.124 -7.356 1.00 0.00 H new ATOM 0 HG3 GLU A 47 13.142 -0.259 -5.761 1.00 0.00 H new ATOM 717 N ASN A 48 9.265 1.492 -7.754 1.00 0.00 N ATOM 718 CA ASN A 48 8.020 1.924 -8.371 1.00 0.00 C ATOM 719 C ASN A 48 7.592 3.248 -7.764 1.00 0.00 C ATOM 720 O ASN A 48 6.657 3.317 -6.969 1.00 0.00 O ATOM 721 CB ASN A 48 6.911 0.888 -8.200 1.00 0.00 C ATOM 722 CG ASN A 48 5.761 1.139 -9.157 1.00 0.00 C ATOM 723 OD1 ASN A 48 5.963 1.597 -10.279 1.00 0.00 O ATOM 724 ND2 ASN A 48 4.548 0.859 -8.720 1.00 0.00 N ATOM 0 H ASN A 48 9.156 0.807 -7.006 1.00 0.00 H new ATOM 0 HA ASN A 48 8.194 2.042 -9.441 1.00 0.00 H new ATOM 0 HB2 ASN A 48 7.315 -0.110 -8.370 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.544 0.913 -7.174 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.739 1.022 -9.320 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.419 0.480 -7.782 1.00 0.00 H new ATOM 731 N GLU A 49 8.343 4.273 -8.116 1.00 0.00 N ATOM 732 CA GLU A 49 8.166 5.621 -7.596 1.00 0.00 C ATOM 733 C GLU A 49 6.756 6.160 -7.841 1.00 0.00 C ATOM 734 O GLU A 49 6.308 6.267 -8.988 1.00 0.00 O ATOM 735 CB GLU A 49 9.199 6.529 -8.259 1.00 0.00 C ATOM 736 CG GLU A 49 9.153 7.978 -7.816 1.00 0.00 C ATOM 737 CD GLU A 49 10.106 8.836 -8.614 1.00 0.00 C ATOM 738 OE1 GLU A 49 11.293 8.931 -8.235 1.00 0.00 O ATOM 739 OE2 GLU A 49 9.683 9.398 -9.649 1.00 0.00 O ATOM 0 H GLU A 49 9.109 4.194 -8.784 1.00 0.00 H new ATOM 0 HA GLU A 49 8.307 5.597 -6.515 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.194 6.133 -8.054 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.056 6.490 -9.339 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.138 8.361 -7.927 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.404 8.043 -6.757 1.00 0.00 H new ATOM 746 N LEU A 50 6.063 6.491 -6.761 1.00 0.00 N ATOM 747 CA LEU A 50 4.770 7.148 -6.857 1.00 0.00 C ATOM 748 C LEU A 50 4.967 8.652 -6.979 1.00 0.00 C ATOM 749 O LEU A 50 5.960 9.196 -6.494 1.00 0.00 O ATOM 750 CB LEU A 50 3.906 6.841 -5.631 1.00 0.00 C ATOM 751 CG LEU A 50 3.607 5.362 -5.389 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.702 5.204 -4.177 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.974 4.734 -6.620 1.00 0.00 C ATOM 0 H LEU A 50 6.376 6.314 -5.807 1.00 0.00 H new ATOM 0 HA LEU A 50 4.258 6.770 -7.742 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.404 7.242 -4.748 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.960 7.373 -5.733 1.00 0.00 H new ATOM 0 HG LEU A 50 4.545 4.844 -5.192 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.495 4.147 -4.013 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.196 5.618 -3.298 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.766 5.734 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.769 3.681 -6.427 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.042 5.248 -6.852 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.657 4.822 -7.465 1.00 0.00 H new ATOM 765 N THR A 51 4.038 9.328 -7.634 1.00 0.00 N ATOM 766 CA THR A 51 4.117 10.771 -7.760 1.00 0.00 C ATOM 767 C THR A 51 3.024 11.428 -6.925 1.00 0.00 C ATOM 768 O THR A 51 2.122 10.748 -6.429 1.00 0.00 O ATOM 769 CB THR A 51 4.010 11.223 -9.232 1.00 0.00 C ATOM 770 OG1 THR A 51 2.760 10.807 -9.801 1.00 0.00 O ATOM 771 CG2 THR A 51 5.160 10.659 -10.056 1.00 0.00 C ATOM 0 H THR A 51 3.227 8.903 -8.083 1.00 0.00 H new ATOM 0 HA THR A 51 5.093 11.085 -7.390 1.00 0.00 H new ATOM 0 HB THR A 51 4.063 12.312 -9.250 1.00 0.00 H new ATOM 0 HG1 THR A 51 2.659 9.838 -9.695 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.064 10.991 -11.090 1.00 0.00 H new ATOM 0 HG22 THR A 51 6.107 11.012 -9.648 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.133 9.570 -10.020 1.00 0.00 H new ATOM 779 N GLU A 52 3.099 12.745 -6.774 1.00 0.00 N ATOM 780 CA GLU A 52 2.147 13.479 -5.950 1.00 0.00 C ATOM 781 C GLU A 52 0.719 13.312 -6.451 1.00 0.00 C ATOM 782 O GLU A 52 -0.225 13.349 -5.660 1.00 0.00 O ATOM 783 CB GLU A 52 2.517 14.956 -5.883 1.00 0.00 C ATOM 784 CG GLU A 52 3.740 15.223 -5.028 1.00 0.00 C ATOM 785 CD GLU A 52 3.540 14.796 -3.587 1.00 0.00 C ATOM 786 OE1 GLU A 52 3.727 13.600 -3.286 1.00 0.00 O ATOM 787 OE2 GLU A 52 3.209 15.661 -2.747 1.00 0.00 O ATOM 0 H GLU A 52 3.812 13.328 -7.213 1.00 0.00 H new ATOM 0 HA GLU A 52 2.197 13.059 -4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.699 15.325 -6.892 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.673 15.519 -5.485 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.596 14.693 -5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.977 16.286 -5.060 1.00 0.00 H new ATOM 794 N LYS A 53 0.558 13.128 -7.757 1.00 0.00 N ATOM 795 CA LYS A 53 -0.759 12.860 -8.313 1.00 0.00 C ATOM 796 C LYS A 53 -1.344 11.606 -7.678 1.00 0.00 C ATOM 797 O LYS A 53 -2.456 11.632 -7.161 1.00 0.00 O ATOM 798 CB LYS A 53 -0.700 12.700 -9.833 1.00 0.00 C ATOM 799 CG LYS A 53 -2.064 12.450 -10.460 1.00 0.00 C ATOM 800 CD LYS A 53 -1.979 12.284 -11.969 1.00 0.00 C ATOM 801 CE LYS A 53 -1.138 11.079 -12.361 1.00 0.00 C ATOM 802 NZ LYS A 53 -1.187 10.828 -13.827 1.00 0.00 N ATOM 0 H LYS A 53 1.314 13.159 -8.441 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.401 13.713 -8.090 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.265 13.599 -10.270 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.036 11.872 -10.080 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.505 11.555 -10.022 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.729 13.281 -10.224 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.983 12.175 -12.379 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.551 13.184 -12.410 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.105 11.241 -12.054 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.495 10.197 -11.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.602 9.999 -14.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.170 10.649 -14.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.823 11.660 -14.334 1.00 0.00 H new ATOM 816 N ASP A 54 -0.570 10.522 -7.687 1.00 0.00 N ATOM 817 CA ASP A 54 -1.017 9.246 -7.133 1.00 0.00 C ATOM 818 C ASP A 54 -1.383 9.404 -5.670 1.00 0.00 C ATOM 819 O ASP A 54 -2.437 8.951 -5.225 1.00 0.00 O ATOM 820 CB ASP A 54 0.074 8.176 -7.261 1.00 0.00 C ATOM 821 CG ASP A 54 0.580 8.006 -8.677 1.00 0.00 C ATOM 822 OD1 ASP A 54 -0.023 7.228 -9.442 1.00 0.00 O ATOM 823 OD2 ASP A 54 1.591 8.650 -9.029 1.00 0.00 O ATOM 0 H ASP A 54 0.374 10.503 -8.074 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.893 8.930 -7.700 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.910 8.439 -6.613 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.317 7.223 -6.905 1.00 0.00 H new ATOM 828 N VAL A 55 -0.506 10.070 -4.936 1.00 0.00 N ATOM 829 CA VAL A 55 -0.681 10.279 -3.508 1.00 0.00 C ATOM 830 C VAL A 55 -1.969 11.048 -3.207 1.00 0.00 C ATOM 831 O VAL A 55 -2.666 10.755 -2.234 1.00 0.00 O ATOM 832 CB VAL A 55 0.522 11.041 -2.913 1.00 0.00 C ATOM 833 CG1 VAL A 55 0.337 11.256 -1.422 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.822 10.298 -3.192 1.00 0.00 C ATOM 0 H VAL A 55 0.348 10.481 -5.314 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.748 9.294 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 55 0.578 12.018 -3.394 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.196 11.795 -1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.569 11.837 -1.248 1.00 0.00 H new ATOM 0 HG13 VAL A 55 0.250 10.291 -0.923 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.657 10.853 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.777 9.306 -2.743 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.963 10.203 -4.269 1.00 0.00 H new ATOM 844 N ASN A 56 -2.292 12.019 -4.048 1.00 0.00 N ATOM 845 CA ASN A 56 -3.465 12.856 -3.819 1.00 0.00 C ATOM 846 C ASN A 56 -4.721 12.251 -4.432 1.00 0.00 C ATOM 847 O ASN A 56 -5.829 12.722 -4.178 1.00 0.00 O ATOM 848 CB ASN A 56 -3.240 14.270 -4.356 1.00 0.00 C ATOM 849 CG ASN A 56 -2.342 15.093 -3.453 1.00 0.00 C ATOM 850 OD1 ASN A 56 -2.814 15.763 -2.536 1.00 0.00 O ATOM 851 ND2 ASN A 56 -1.043 15.052 -3.704 1.00 0.00 N ATOM 0 H ASN A 56 -1.764 12.248 -4.890 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.615 12.911 -2.741 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.797 14.212 -5.350 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.201 14.772 -4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -0.395 15.588 -3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.690 14.484 -4.474 1.00 0.00 H new ATOM 858 N ILE A 57 -4.553 11.222 -5.247 1.00 0.00 N ATOM 859 CA ILE A 57 -5.689 10.505 -5.799 1.00 0.00 C ATOM 860 C ILE A 57 -6.089 9.356 -4.876 1.00 0.00 C ATOM 861 O ILE A 57 -7.267 9.187 -4.560 1.00 0.00 O ATOM 862 CB ILE A 57 -5.381 9.961 -7.215 1.00 0.00 C ATOM 863 CG1 ILE A 57 -5.185 11.116 -8.200 1.00 0.00 C ATOM 864 CG2 ILE A 57 -6.482 9.030 -7.702 1.00 0.00 C ATOM 865 CD1 ILE A 57 -6.385 12.031 -8.322 1.00 0.00 C ATOM 0 H ILE A 57 -3.643 10.866 -5.540 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.518 11.208 -5.879 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.457 9.386 -7.158 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.323 11.704 -7.887 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.952 10.706 -9.183 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -6.235 8.665 -8.699 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -6.573 8.185 -7.019 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -7.427 9.572 -7.737 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.167 12.823 -9.038 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.246 11.458 -8.666 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.607 12.472 -7.350 1.00 0.00 H new ATOM 877 N GLY A 58 -5.096 8.584 -4.441 1.00 0.00 N ATOM 878 CA GLY A 58 -5.347 7.448 -3.573 1.00 0.00 C ATOM 879 C GLY A 58 -5.980 7.840 -2.249 1.00 0.00 C ATOM 880 O GLY A 58 -5.528 8.779 -1.589 1.00 0.00 O ATOM 0 H GLY A 58 -4.114 8.728 -4.677 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.000 6.743 -4.087 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.407 6.930 -3.381 1.00 0.00 H new ATOM 884 N GLU A 59 -7.010 7.102 -1.858 1.00 0.00 N ATOM 885 CA GLU A 59 -7.752 7.381 -0.637 1.00 0.00 C ATOM 886 C GLU A 59 -6.936 6.980 0.589 1.00 0.00 C ATOM 887 O GLU A 59 -6.431 7.827 1.328 1.00 0.00 O ATOM 888 CB GLU A 59 -9.078 6.606 -0.643 1.00 0.00 C ATOM 889 CG GLU A 59 -9.925 6.824 -1.887 1.00 0.00 C ATOM 890 CD GLU A 59 -10.710 8.113 -1.846 1.00 0.00 C ATOM 891 OE1 GLU A 59 -11.838 8.097 -1.308 1.00 0.00 O ATOM 892 OE2 GLU A 59 -10.219 9.133 -2.363 1.00 0.00 O ATOM 0 H GLU A 59 -7.354 6.294 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.954 8.451 -0.593 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.864 5.542 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.659 6.896 0.233 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.278 6.826 -2.765 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -10.615 5.988 -2.002 1.00 0.00 H new ATOM 899 N VAL A 60 -6.785 5.676 0.771 1.00 0.00 N ATOM 900 CA VAL A 60 -6.135 5.131 1.949 1.00 0.00 C ATOM 901 C VAL A 60 -4.691 4.756 1.650 1.00 0.00 C ATOM 902 O VAL A 60 -4.348 4.433 0.510 1.00 0.00 O ATOM 903 CB VAL A 60 -6.893 3.893 2.476 1.00 0.00 C ATOM 904 CG1 VAL A 60 -8.256 4.290 3.024 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.049 2.849 1.379 1.00 0.00 C ATOM 0 H VAL A 60 -7.109 4.971 0.109 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.147 5.905 2.716 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.307 3.458 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.773 3.403 3.390 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.127 4.998 3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.845 4.753 2.233 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -7.586 1.986 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -7.609 3.276 0.547 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.064 2.537 1.031 1.00 0.00 H new ATOM 915 N VAL A 61 -3.851 4.813 2.670 1.00 0.00 N ATOM 916 CA VAL A 61 -2.446 4.481 2.519 1.00 0.00 C ATOM 917 C VAL A 61 -2.123 3.181 3.237 1.00 0.00 C ATOM 918 O VAL A 61 -2.239 3.089 4.460 1.00 0.00 O ATOM 919 CB VAL A 61 -1.535 5.593 3.074 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.077 5.286 2.770 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.936 6.947 2.511 1.00 0.00 C ATOM 0 H VAL A 61 -4.120 5.087 3.615 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.259 4.373 1.451 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.656 5.631 4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.553 6.081 3.169 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.199 4.338 3.232 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.063 5.218 1.691 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.280 7.718 2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.849 6.930 1.425 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.967 7.166 2.789 1.00 0.00 H new ATOM 931 N ILE A 62 -1.722 2.181 2.475 1.00 0.00 N ATOM 932 CA ILE A 62 -1.372 0.889 3.037 1.00 0.00 C ATOM 933 C ILE A 62 0.144 0.719 3.078 1.00 0.00 C ATOM 934 O ILE A 62 0.825 0.893 2.070 1.00 0.00 O ATOM 935 CB ILE A 62 -1.992 -0.265 2.218 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.522 -0.163 2.226 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.537 -1.614 2.761 1.00 0.00 C ATOM 938 CD1 ILE A 62 -4.209 -1.231 1.400 1.00 0.00 C ATOM 0 H ILE A 62 -1.630 2.239 1.461 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.772 0.853 4.050 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.648 -0.182 1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.876 -0.228 3.255 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.814 0.818 1.850 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.985 -2.414 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -0.451 -1.683 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.850 -1.712 3.801 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -5.289 -1.094 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.885 -1.153 0.362 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.948 -2.215 1.789 1.00 0.00 H new ATOM 950 N PHE A 63 0.674 0.402 4.246 1.00 0.00 N ATOM 951 CA PHE A 63 2.097 0.138 4.379 1.00 0.00 C ATOM 952 C PHE A 63 2.349 -1.318 4.717 1.00 0.00 C ATOM 953 O PHE A 63 2.149 -1.744 5.850 1.00 0.00 O ATOM 954 CB PHE A 63 2.731 1.026 5.450 1.00 0.00 C ATOM 955 CG PHE A 63 2.909 2.452 5.029 1.00 0.00 C ATOM 956 CD1 PHE A 63 3.727 2.768 3.959 1.00 0.00 C ATOM 957 CD2 PHE A 63 2.267 3.472 5.703 1.00 0.00 C ATOM 958 CE1 PHE A 63 3.897 4.079 3.567 1.00 0.00 C ATOM 959 CE2 PHE A 63 2.434 4.787 5.315 1.00 0.00 C ATOM 960 CZ PHE A 63 3.251 5.090 4.246 1.00 0.00 C ATOM 0 H PHE A 63 0.143 0.321 5.113 1.00 0.00 H new ATOM 0 HA PHE A 63 2.557 0.367 3.418 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.111 0.997 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.703 0.614 5.721 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.238 1.980 3.425 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.628 3.239 6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.536 4.314 2.728 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.926 5.577 5.848 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.384 6.118 3.941 1.00 0.00 H new ATOM 970 N ALA A 64 2.764 -2.079 3.721 1.00 0.00 N ATOM 971 CA ALA A 64 3.202 -3.444 3.938 1.00 0.00 C ATOM 972 C ALA A 64 4.717 -3.458 3.948 1.00 0.00 C ATOM 973 O ALA A 64 5.357 -3.568 2.903 1.00 0.00 O ATOM 974 CB ALA A 64 2.658 -4.364 2.859 1.00 0.00 C ATOM 0 H ALA A 64 2.807 -1.772 2.749 1.00 0.00 H new ATOM 0 HA ALA A 64 2.822 -3.809 4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.000 -5.383 3.043 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.568 -4.339 2.875 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.015 -4.032 1.884 1.00 0.00 H new ATOM 980 N VAL A 65 5.295 -3.313 5.124 1.00 0.00 N ATOM 981 CA VAL A 65 6.720 -3.056 5.213 1.00 0.00 C ATOM 982 C VAL A 65 7.443 -4.011 6.153 1.00 0.00 C ATOM 983 O VAL A 65 6.855 -4.600 7.060 1.00 0.00 O ATOM 984 CB VAL A 65 6.998 -1.602 5.648 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.549 -0.630 4.568 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.309 -1.286 6.969 1.00 0.00 C ATOM 0 H VAL A 65 4.809 -3.367 6.019 1.00 0.00 H new ATOM 0 HA VAL A 65 7.112 -3.221 4.209 1.00 0.00 H new ATOM 0 HB VAL A 65 8.073 -1.491 5.792 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.752 0.391 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.093 -0.834 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.480 -0.749 4.393 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.521 -0.255 7.253 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.233 -1.418 6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 65 6.679 -1.959 7.743 1.00 0.00 H new ATOM 996 N ASP A 66 8.727 -4.167 5.877 1.00 0.00 N ATOM 997 CA ASP A 66 9.652 -4.926 6.707 1.00 0.00 C ATOM 998 C ASP A 66 10.650 -3.962 7.341 1.00 0.00 C ATOM 999 O ASP A 66 11.215 -4.227 8.403 1.00 0.00 O ATOM 1000 CB ASP A 66 10.364 -5.976 5.842 1.00 0.00 C ATOM 1001 CG ASP A 66 11.713 -6.425 6.381 1.00 0.00 C ATOM 1002 OD1 ASP A 66 11.751 -7.192 7.364 1.00 0.00 O ATOM 1003 OD2 ASP A 66 12.746 -6.040 5.786 1.00 0.00 O ATOM 0 H ASP A 66 9.167 -3.761 5.051 1.00 0.00 H new ATOM 0 HA ASP A 66 9.117 -5.446 7.502 1.00 0.00 H new ATOM 0 HB2 ASP A 66 9.717 -6.848 5.745 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.504 -5.569 4.840 1.00 0.00 H new ATOM 1008 N THR A 67 10.827 -2.827 6.683 1.00 0.00 N ATOM 1009 CA THR A 67 11.681 -1.763 7.179 1.00 0.00 C ATOM 1010 C THR A 67 10.888 -0.452 7.172 1.00 0.00 C ATOM 1011 O THR A 67 9.669 -0.472 7.002 1.00 0.00 O ATOM 1012 CB THR A 67 12.969 -1.640 6.327 1.00 0.00 C ATOM 1013 OG1 THR A 67 13.898 -0.738 6.945 1.00 0.00 O ATOM 1014 CG2 THR A 67 12.656 -1.169 4.911 1.00 0.00 C ATOM 0 H THR A 67 10.382 -2.619 5.789 1.00 0.00 H new ATOM 0 HA THR A 67 11.993 -1.993 8.198 1.00 0.00 H new ATOM 0 HB THR A 67 13.419 -2.631 6.267 1.00 0.00 H new ATOM 0 HG1 THR A 67 14.706 -0.673 6.395 1.00 0.00 H new ATOM 0 HG21 THR A 67 13.581 -1.093 4.340 1.00 0.00 H new ATOM 0 HG22 THR A 67 11.989 -1.884 4.429 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.173 -0.193 4.951 1.00 0.00 H new ATOM 1022 N LYS A 68 11.555 0.672 7.373 1.00 0.00 N ATOM 1023 CA LYS A 68 10.873 1.957 7.390 1.00 0.00 C ATOM 1024 C LYS A 68 10.737 2.503 5.973 1.00 0.00 C ATOM 1025 O LYS A 68 11.377 2.008 5.044 1.00 0.00 O ATOM 1026 CB LYS A 68 11.633 2.958 8.262 1.00 0.00 C ATOM 1027 CG LYS A 68 12.983 3.354 7.691 1.00 0.00 C ATOM 1028 CD LYS A 68 13.690 4.369 8.570 1.00 0.00 C ATOM 1029 CE LYS A 68 15.043 4.748 7.996 1.00 0.00 C ATOM 1030 NZ LYS A 68 15.751 5.727 8.857 1.00 0.00 N ATOM 0 H LYS A 68 12.562 0.722 7.526 1.00 0.00 H new ATOM 0 HA LYS A 68 9.878 1.810 7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 68 11.024 3.853 8.389 1.00 0.00 H new ATOM 0 HB3 LYS A 68 11.778 2.528 9.253 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.607 2.467 7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.848 3.769 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 68 13.072 5.261 8.669 1.00 0.00 H new ATOM 0 HD3 LYS A 68 13.819 3.959 9.571 1.00 0.00 H new ATOM 0 HE2 LYS A 68 15.655 3.853 7.885 1.00 0.00 H new ATOM 0 HE3 LYS A 68 14.910 5.169 7.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 16.671 5.961 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 15.179 6.591 8.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 15.900 5.315 9.800 1.00 0.00 H new ATOM 1044 N VAL A 69 9.913 3.528 5.810 1.00 0.00 N ATOM 1045 CA VAL A 69 9.728 4.152 4.509 1.00 0.00 C ATOM 1046 C VAL A 69 10.027 5.640 4.590 1.00 0.00 C ATOM 1047 O VAL A 69 9.980 6.234 5.669 1.00 0.00 O ATOM 1048 CB VAL A 69 8.301 3.960 3.949 1.00 0.00 C ATOM 1049 CG1 VAL A 69 7.916 2.494 3.913 1.00 0.00 C ATOM 1050 CG2 VAL A 69 7.288 4.755 4.747 1.00 0.00 C ATOM 0 H VAL A 69 9.363 3.944 6.561 1.00 0.00 H new ATOM 0 HA VAL A 69 10.424 3.658 3.830 1.00 0.00 H new ATOM 0 HB VAL A 69 8.300 4.336 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.907 2.393 3.514 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.614 1.950 3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.950 2.084 4.922 1.00 0.00 H new ATOM 0 HG21 VAL A 69 6.293 4.600 4.329 1.00 0.00 H new ATOM 0 HG22 VAL A 69 7.301 4.423 5.785 1.00 0.00 H new ATOM 0 HG23 VAL A 69 7.540 5.815 4.701 1.00 0.00 H new ATOM 1060 N ARG A 70 10.357 6.228 3.453 1.00 0.00 N ATOM 1061 CA ARG A 70 10.649 7.654 3.387 1.00 0.00 C ATOM 1062 C ARG A 70 9.414 8.458 2.992 1.00 0.00 C ATOM 1063 O ARG A 70 9.198 9.565 3.478 1.00 0.00 O ATOM 1064 CB ARG A 70 11.779 7.913 2.394 1.00 0.00 C ATOM 1065 CG ARG A 70 13.137 7.429 2.880 1.00 0.00 C ATOM 1066 CD ARG A 70 14.184 7.522 1.782 1.00 0.00 C ATOM 1067 NE ARG A 70 14.278 8.866 1.217 1.00 0.00 N ATOM 1068 CZ ARG A 70 14.807 9.137 0.025 1.00 0.00 C ATOM 1069 NH1 ARG A 70 15.273 8.153 -0.741 1.00 0.00 N ATOM 1070 NH2 ARG A 70 14.856 10.391 -0.404 1.00 0.00 N ATOM 0 H ARG A 70 10.430 5.741 2.560 1.00 0.00 H new ATOM 0 HA ARG A 70 10.959 7.978 4.380 1.00 0.00 H new ATOM 0 HB2 ARG A 70 11.543 7.421 1.451 1.00 0.00 H new ATOM 0 HB3 ARG A 70 11.835 8.982 2.190 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.452 8.025 3.737 1.00 0.00 H new ATOM 0 HG3 ARG A 70 13.056 6.397 3.222 1.00 0.00 H new ATOM 0 HD2 ARG A 70 15.155 7.230 2.183 1.00 0.00 H new ATOM 0 HD3 ARG A 70 13.941 6.814 0.990 1.00 0.00 H new ATOM 0 HE ARG A 70 13.917 9.644 1.769 1.00 0.00 H new ATOM 0 HH11 ARG A 70 15.226 7.187 -0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 70 15.677 8.365 -1.653 1.00 0.00 H new ATOM 0 HH21 ARG A 70 14.489 11.144 0.178 1.00 0.00 H new ATOM 0 HH22 ARG A 70 15.260 10.603 -1.316 1.00 0.00 H new ATOM 1084 N ASN A 71 8.596 7.880 2.123 1.00 0.00 N ATOM 1085 CA ASN A 71 7.477 8.599 1.519 1.00 0.00 C ATOM 1086 C ASN A 71 6.292 8.764 2.462 1.00 0.00 C ATOM 1087 O ASN A 71 5.329 9.454 2.123 1.00 0.00 O ATOM 1088 CB ASN A 71 7.041 7.935 0.212 1.00 0.00 C ATOM 1089 CG ASN A 71 7.995 8.261 -0.919 1.00 0.00 C ATOM 1090 OD1 ASN A 71 8.662 9.298 -0.899 1.00 0.00 O ATOM 1091 ND2 ASN A 71 8.068 7.396 -1.911 1.00 0.00 N ATOM 0 H ASN A 71 8.685 6.911 1.818 1.00 0.00 H new ATOM 0 HA ASN A 71 7.841 9.603 1.301 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.993 6.855 0.349 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.037 8.268 -0.050 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.692 7.574 -2.698 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.500 6.549 -1.892 1.00 0.00 H new ATOM 1098 N LYS A 72 6.358 8.149 3.646 1.00 0.00 N ATOM 1099 CA LYS A 72 5.285 8.282 4.639 1.00 0.00 C ATOM 1100 C LYS A 72 5.069 9.758 4.966 1.00 0.00 C ATOM 1101 O LYS A 72 3.990 10.167 5.383 1.00 0.00 O ATOM 1102 CB LYS A 72 5.611 7.502 5.920 1.00 0.00 C ATOM 1103 CG LYS A 72 4.492 7.539 6.954 1.00 0.00 C ATOM 1104 CD LYS A 72 4.872 6.824 8.243 1.00 0.00 C ATOM 1105 CE LYS A 72 5.004 5.319 8.049 1.00 0.00 C ATOM 1106 NZ LYS A 72 5.214 4.613 9.341 1.00 0.00 N ATOM 0 H LYS A 72 7.136 7.558 3.940 1.00 0.00 H new ATOM 0 HA LYS A 72 4.372 7.863 4.215 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.822 6.464 5.661 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.519 7.910 6.364 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.241 8.576 7.177 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.598 7.077 6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.815 7.225 8.614 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.118 7.026 9.004 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.106 4.934 7.566 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.839 5.110 7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.965 3.609 9.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.212 4.694 9.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.612 5.042 10.073 1.00 0.00 H new ATOM 1120 N GLU A 73 6.124 10.534 4.757 1.00 0.00 N ATOM 1121 CA GLU A 73 6.106 11.984 4.895 1.00 0.00 C ATOM 1122 C GLU A 73 4.835 12.607 4.292 1.00 0.00 C ATOM 1123 O GLU A 73 4.139 13.379 4.955 1.00 0.00 O ATOM 1124 CB GLU A 73 7.344 12.542 4.195 1.00 0.00 C ATOM 1125 CG GLU A 73 7.559 14.029 4.385 1.00 0.00 C ATOM 1126 CD GLU A 73 7.925 14.392 5.810 1.00 0.00 C ATOM 1127 OE1 GLU A 73 8.993 13.955 6.283 1.00 0.00 O ATOM 1128 OE2 GLU A 73 7.159 15.135 6.455 1.00 0.00 O ATOM 0 H GLU A 73 7.034 10.166 4.481 1.00 0.00 H new ATOM 0 HA GLU A 73 6.110 12.237 5.955 1.00 0.00 H new ATOM 0 HB2 GLU A 73 8.223 12.011 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.267 12.333 3.128 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.350 14.366 3.715 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.652 14.562 4.101 1.00 0.00 H new ATOM 1135 N ARG A 74 4.526 12.267 3.043 1.00 0.00 N ATOM 1136 CA ARG A 74 3.377 12.847 2.362 1.00 0.00 C ATOM 1137 C ARG A 74 2.076 12.126 2.720 1.00 0.00 C ATOM 1138 O ARG A 74 0.998 12.716 2.666 1.00 0.00 O ATOM 1139 CB ARG A 74 3.610 12.819 0.857 1.00 0.00 C ATOM 1140 CG ARG A 74 3.749 11.420 0.280 1.00 0.00 C ATOM 1141 CD ARG A 74 4.534 11.453 -1.013 1.00 0.00 C ATOM 1142 NE ARG A 74 5.961 11.716 -0.793 1.00 0.00 N ATOM 1143 CZ ARG A 74 6.733 12.412 -1.633 1.00 0.00 C ATOM 1144 NH1 ARG A 74 6.217 12.965 -2.719 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.025 12.567 -1.373 1.00 0.00 N ATOM 0 H ARG A 74 5.054 11.595 2.486 1.00 0.00 H new ATOM 0 HA ARG A 74 3.270 13.879 2.695 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.781 13.325 0.362 1.00 0.00 H new ATOM 0 HB3 ARG A 74 4.512 13.387 0.629 1.00 0.00 H new ATOM 0 HG2 ARG A 74 4.250 10.772 0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 74 2.761 10.995 0.101 1.00 0.00 H new ATOM 0 HD2 ARG A 74 4.418 10.500 -1.530 1.00 0.00 H new ATOM 0 HD3 ARG A 74 4.122 12.222 -1.666 1.00 0.00 H new ATOM 0 HE ARG A 74 6.391 11.344 0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.222 12.862 -2.921 1.00 0.00 H new ATOM 0 HH12 ARG A 74 6.814 13.494 -3.354 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.429 12.155 -0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 74 8.614 13.098 -2.014 1.00 0.00 H new ATOM 1159 N PHE A 75 2.175 10.853 3.082 1.00 0.00 N ATOM 1160 CA PHE A 75 1.012 10.087 3.499 1.00 0.00 C ATOM 1161 C PHE A 75 0.593 10.446 4.926 1.00 0.00 C ATOM 1162 O PHE A 75 -0.460 10.019 5.393 1.00 0.00 O ATOM 1163 CB PHE A 75 1.318 8.593 3.418 1.00 0.00 C ATOM 1164 CG PHE A 75 1.813 8.142 2.072 1.00 0.00 C ATOM 1165 CD1 PHE A 75 1.085 8.396 0.922 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.013 7.464 1.961 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.548 7.981 -0.312 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.481 7.046 0.733 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.748 7.305 -0.407 1.00 0.00 C ATOM 0 H PHE A 75 3.051 10.330 3.095 1.00 0.00 H new ATOM 0 HA PHE A 75 0.189 10.332 2.828 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.066 8.345 4.171 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.416 8.034 3.668 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.145 8.924 0.990 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.592 7.259 2.849 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.971 8.185 -1.202 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.420 6.517 0.664 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.112 6.980 -1.371 1.00 0.00 H new ATOM 1179 N ASP A 76 1.425 11.231 5.605 1.00 0.00 N ATOM 1180 CA ASP A 76 1.192 11.593 7.004 1.00 0.00 C ATOM 1181 C ASP A 76 -0.113 12.362 7.182 1.00 0.00 C ATOM 1182 O ASP A 76 -0.855 12.130 8.135 1.00 0.00 O ATOM 1183 CB ASP A 76 2.356 12.427 7.533 1.00 0.00 C ATOM 1184 CG ASP A 76 2.172 12.834 8.980 1.00 0.00 C ATOM 1185 OD1 ASP A 76 2.511 12.032 9.874 1.00 0.00 O ATOM 1186 OD2 ASP A 76 1.707 13.964 9.233 1.00 0.00 O ATOM 0 H ASP A 76 2.274 11.632 5.207 1.00 0.00 H new ATOM 0 HA ASP A 76 1.116 10.666 7.572 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.280 11.857 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.466 13.321 6.919 1.00 0.00 H new ATOM 1191 N GLY A 77 -0.394 13.271 6.259 1.00 0.00 N ATOM 1192 CA GLY A 77 -1.626 14.040 6.324 1.00 0.00 C ATOM 1193 C GLY A 77 -2.804 13.282 5.746 1.00 0.00 C ATOM 1194 O GLY A 77 -3.843 13.865 5.442 1.00 0.00 O ATOM 0 H GLY A 77 0.207 13.492 5.465 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.836 14.299 7.362 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -1.497 14.977 5.781 1.00 0.00 H new ATOM 1198 N LYS A 78 -2.636 11.976 5.596 1.00 0.00 N ATOM 1199 CA LYS A 78 -3.660 11.117 5.023 1.00 0.00 C ATOM 1200 C LYS A 78 -3.981 9.979 5.991 1.00 0.00 C ATOM 1201 O LYS A 78 -3.491 9.966 7.121 1.00 0.00 O ATOM 1202 CB LYS A 78 -3.175 10.569 3.678 1.00 0.00 C ATOM 1203 CG LYS A 78 -2.944 11.652 2.631 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.120 11.149 1.454 1.00 0.00 C ATOM 1205 CE LYS A 78 -2.755 9.939 0.785 1.00 0.00 C ATOM 1206 NZ LYS A 78 -4.062 10.263 0.148 1.00 0.00 N ATOM 0 H LYS A 78 -1.786 11.483 5.868 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.571 11.692 4.856 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.247 10.019 3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.908 9.857 3.298 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.906 12.016 2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.436 12.498 3.093 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.008 11.949 0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.119 10.889 1.798 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -2.074 9.545 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.900 9.152 1.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -4.487 9.394 -0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -4.700 10.677 0.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -3.913 10.944 -0.624 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.805 9.034 5.559 1.00 0.00 N ATOM 1221 CA VAL A 79 -5.167 7.899 6.401 1.00 0.00 C ATOM 1222 C VAL A 79 -4.195 6.741 6.184 1.00 0.00 C ATOM 1223 O VAL A 79 -3.958 6.320 5.051 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.623 7.446 6.152 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -6.870 7.193 4.678 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -6.957 6.211 6.975 1.00 0.00 C ATOM 0 H VAL A 79 -5.235 9.029 4.634 1.00 0.00 H new ATOM 0 HA VAL A 79 -5.099 8.222 7.440 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.282 8.253 6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.902 6.875 4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.689 8.109 4.116 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.197 6.412 4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.987 5.913 6.782 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.286 5.398 6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.837 6.437 8.035 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.634 6.236 7.272 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.560 5.257 7.198 1.00 0.00 C ATOM 1238 C VAL A 80 -2.942 3.942 7.881 1.00 0.00 C ATOM 1239 O VAL A 80 -3.518 3.938 8.968 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.272 5.816 7.850 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -0.155 4.788 7.825 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.830 7.093 7.153 1.00 0.00 C ATOM 0 H VAL A 80 -3.906 6.490 8.222 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.381 5.056 6.142 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.498 6.046 8.891 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.737 5.208 8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.466 3.900 8.375 1.00 0.00 H new ATOM 0 HG13 VAL A 80 0.067 4.517 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.077 7.470 7.626 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.631 6.884 6.102 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.618 7.842 7.231 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.632 2.833 7.217 1.00 0.00 N ATOM 1253 CA LEU A 81 -2.799 1.505 7.787 1.00 0.00 C ATOM 1254 C LEU A 81 -1.532 0.690 7.525 1.00 0.00 C ATOM 1255 O LEU A 81 -1.169 0.444 6.372 1.00 0.00 O ATOM 1256 CB LEU A 81 -4.042 0.823 7.180 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.456 -0.532 7.784 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.611 -1.669 7.230 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -4.358 -0.498 9.301 1.00 0.00 C ATOM 0 H LEU A 81 -2.258 2.832 6.268 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.954 1.575 8.864 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.885 1.508 7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.864 0.680 6.114 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.493 -0.712 7.502 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.930 -2.611 7.677 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.735 -1.721 6.148 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.562 -1.492 7.467 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.655 -1.465 9.707 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.331 -0.281 9.594 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.018 0.277 9.691 1.00 0.00 H new ATOM 1271 N GLU A 82 -0.848 0.291 8.591 1.00 0.00 N ATOM 1272 CA GLU A 82 0.411 -0.432 8.458 1.00 0.00 C ATOM 1273 C GLU A 82 0.264 -1.904 8.821 1.00 0.00 C ATOM 1274 O GLU A 82 -0.413 -2.257 9.791 1.00 0.00 O ATOM 1275 CB GLU A 82 1.488 0.200 9.335 1.00 0.00 C ATOM 1276 CG GLU A 82 1.814 1.637 8.971 1.00 0.00 C ATOM 1277 CD GLU A 82 2.970 2.178 9.783 1.00 0.00 C ATOM 1278 OE1 GLU A 82 2.742 2.634 10.921 1.00 0.00 O ATOM 1279 OE2 GLU A 82 4.118 2.147 9.290 1.00 0.00 O ATOM 0 H GLU A 82 -1.143 0.455 9.554 1.00 0.00 H new ATOM 0 HA GLU A 82 0.706 -0.367 7.411 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.163 0.164 10.375 1.00 0.00 H new ATOM 0 HB3 GLU A 82 2.397 -0.397 9.264 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.057 1.696 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.934 2.260 9.132 1.00 0.00 H new ATOM 1286 N VAL A 83 0.907 -2.749 8.028 1.00 0.00 N ATOM 1287 CA VAL A 83 0.964 -4.185 8.270 1.00 0.00 C ATOM 1288 C VAL A 83 2.351 -4.709 7.903 1.00 0.00 C ATOM 1289 O VAL A 83 3.132 -4.002 7.260 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.100 -4.959 7.447 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.507 -4.658 7.939 1.00 0.00 C ATOM 1292 CG2 VAL A 83 0.027 -4.637 5.965 1.00 0.00 C ATOM 0 H VAL A 83 1.409 -2.455 7.190 1.00 0.00 H new ATOM 0 HA VAL A 83 0.757 -4.347 9.328 1.00 0.00 H new ATOM 0 HB VAL A 83 0.083 -6.024 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.228 -5.216 7.342 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.597 -4.952 8.985 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.705 -3.590 7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.728 -5.190 5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.119 -3.568 5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.019 -4.922 5.614 1.00 0.00 H new ATOM 1302 N PRO A 84 2.701 -5.933 8.326 1.00 0.00 N ATOM 1303 CA PRO A 84 3.941 -6.574 7.890 1.00 0.00 C ATOM 1304 C PRO A 84 3.916 -6.851 6.388 1.00 0.00 C ATOM 1305 O PRO A 84 2.856 -7.107 5.818 1.00 0.00 O ATOM 1306 CB PRO A 84 3.979 -7.882 8.687 1.00 0.00 C ATOM 1307 CG PRO A 84 2.570 -8.127 9.102 1.00 0.00 C ATOM 1308 CD PRO A 84 1.941 -6.772 9.268 1.00 0.00 C ATOM 0 HA PRO A 84 4.818 -5.950 8.062 1.00 0.00 H new ATOM 0 HB2 PRO A 84 4.359 -8.703 8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.635 -7.797 9.553 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.039 -8.713 8.352 1.00 0.00 H new ATOM 0 HG3 PRO A 84 2.531 -8.691 10.034 1.00 0.00 H new ATOM 0 HD2 PRO A 84 0.878 -6.789 9.026 1.00 0.00 H new ATOM 0 HD3 PRO A 84 2.029 -6.409 10.292 1.00 0.00 H new ATOM 1316 N VAL A 85 5.078 -6.796 5.755 1.00 0.00 N ATOM 1317 CA VAL A 85 5.176 -6.953 4.303 1.00 0.00 C ATOM 1318 C VAL A 85 4.650 -8.321 3.842 1.00 0.00 C ATOM 1319 O VAL A 85 4.076 -8.446 2.765 1.00 0.00 O ATOM 1320 CB VAL A 85 6.635 -6.746 3.819 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.560 -7.818 4.374 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.711 -6.698 2.300 1.00 0.00 C ATOM 0 H VAL A 85 5.972 -6.643 6.222 1.00 0.00 H new ATOM 0 HA VAL A 85 4.547 -6.184 3.854 1.00 0.00 H new ATOM 0 HB VAL A 85 6.972 -5.783 4.202 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.575 -7.644 4.016 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.548 -7.780 5.463 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.221 -8.799 4.041 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.746 -6.552 1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.338 -7.635 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.103 -5.872 1.931 1.00 0.00 H new ATOM 1332 N SER A 86 4.830 -9.332 4.676 1.00 0.00 N ATOM 1333 CA SER A 86 4.405 -10.689 4.354 1.00 0.00 C ATOM 1334 C SER A 86 2.881 -10.857 4.451 1.00 0.00 C ATOM 1335 O SER A 86 2.318 -11.799 3.892 1.00 0.00 O ATOM 1336 CB SER A 86 5.119 -11.672 5.282 1.00 0.00 C ATOM 1337 OG SER A 86 6.527 -11.488 5.216 1.00 0.00 O ATOM 0 H SER A 86 5.272 -9.239 5.591 1.00 0.00 H new ATOM 0 HA SER A 86 4.676 -10.896 3.319 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.775 -11.529 6.306 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.867 -12.695 5.001 1.00 0.00 H new ATOM 0 HG SER A 86 6.853 -11.772 4.337 1.00 0.00 H new ATOM 1343 N ALA A 87 2.222 -9.940 5.153 1.00 0.00 N ATOM 1344 CA ALA A 87 0.787 -10.058 5.433 1.00 0.00 C ATOM 1345 C ALA A 87 -0.089 -10.043 4.166 1.00 0.00 C ATOM 1346 O ALA A 87 -0.859 -10.980 3.946 1.00 0.00 O ATOM 1347 CB ALA A 87 0.342 -8.970 6.401 1.00 0.00 C ATOM 0 H ALA A 87 2.657 -9.103 5.541 1.00 0.00 H new ATOM 0 HA ALA A 87 0.644 -11.036 5.892 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.725 -9.072 6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.894 -9.067 7.336 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.538 -7.991 5.963 1.00 0.00 H new ATOM 1353 N PRO A 88 0.010 -8.999 3.303 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.874 -8.848 2.132 1.00 0.00 C ATOM 1355 C PRO A 88 -0.728 -9.970 1.108 1.00 0.00 C ATOM 1356 O PRO A 88 -1.503 -10.056 0.158 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.443 -7.516 1.511 1.00 0.00 C ATOM 1358 CG PRO A 88 0.295 -6.808 2.588 1.00 0.00 C ATOM 1359 CD PRO A 88 0.966 -7.881 3.389 1.00 0.00 C ATOM 0 HA PRO A 88 -1.921 -8.882 2.435 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.190 -7.675 0.638 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.306 -6.938 1.179 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.026 -6.115 2.172 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.383 -6.222 3.208 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.938 -8.147 2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.134 -7.571 4.420 1.00 0.00 H new ATOM 1367 N ILE A 89 0.274 -10.817 1.292 1.00 0.00 N ATOM 1368 CA ILE A 89 0.455 -11.967 0.423 1.00 0.00 C ATOM 1369 C ILE A 89 -0.723 -12.925 0.578 1.00 0.00 C ATOM 1370 O ILE A 89 -1.241 -13.459 -0.403 1.00 0.00 O ATOM 1371 CB ILE A 89 1.785 -12.696 0.718 1.00 0.00 C ATOM 1372 CG1 ILE A 89 2.961 -11.738 0.503 1.00 0.00 C ATOM 1373 CG2 ILE A 89 1.929 -13.927 -0.169 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.317 -12.361 0.764 1.00 0.00 C ATOM 0 H ILE A 89 0.970 -10.729 2.032 1.00 0.00 H new ATOM 0 HA ILE A 89 0.496 -11.611 -0.606 1.00 0.00 H new ATOM 0 HB ILE A 89 1.783 -13.025 1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.933 -11.369 -0.522 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.837 -10.874 1.156 1.00 0.00 H new ATOM 0 HG21 ILE A 89 2.872 -14.427 0.053 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.102 -14.611 0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 89 1.917 -13.624 -1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.097 -11.620 0.590 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.367 -12.705 1.797 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.464 -13.207 0.093 1.00 0.00 H new ATOM 1386 N LYS A 90 -1.145 -13.134 1.816 1.00 0.00 N ATOM 1387 CA LYS A 90 -2.315 -13.958 2.097 1.00 0.00 C ATOM 1388 C LYS A 90 -3.562 -13.102 2.334 1.00 0.00 C ATOM 1389 O LYS A 90 -4.600 -13.309 1.703 1.00 0.00 O ATOM 1390 CB LYS A 90 -2.051 -14.904 3.281 1.00 0.00 C ATOM 1391 CG LYS A 90 -1.014 -14.396 4.275 1.00 0.00 C ATOM 1392 CD LYS A 90 -0.650 -15.464 5.298 1.00 0.00 C ATOM 1393 CE LYS A 90 -1.690 -15.585 6.402 1.00 0.00 C ATOM 1394 NZ LYS A 90 -1.721 -14.375 7.265 1.00 0.00 N ATOM 0 H LYS A 90 -0.695 -12.744 2.644 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.507 -14.571 1.216 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.989 -15.075 3.809 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -1.723 -15.868 2.893 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.118 -14.084 3.739 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -1.401 -13.516 4.789 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -0.544 -16.425 4.795 1.00 0.00 H new ATOM 0 HD3 LYS A 90 0.318 -15.227 5.739 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.674 -15.741 5.959 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.472 -16.461 7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.876 -14.658 8.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.815 -13.870 7.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.493 -13.750 6.958 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.446 -12.117 3.215 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.593 -11.308 3.636 1.00 0.00 C ATOM 1410 C ASP A 91 -4.799 -10.113 2.710 1.00 0.00 C ATOM 1411 O ASP A 91 -5.179 -9.041 3.166 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.378 -10.782 5.061 1.00 0.00 C ATOM 1413 CG ASP A 91 -4.118 -11.874 6.079 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -3.038 -12.493 6.027 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -4.971 -12.093 6.965 1.00 0.00 O ATOM 0 H ASP A 91 -2.565 -11.854 3.657 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.473 -11.949 3.597 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.536 -10.090 5.060 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.257 -10.214 5.366 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.599 -10.314 1.414 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.593 -9.211 0.447 1.00 0.00 C ATOM 1422 C ALA A 92 -5.851 -8.343 0.533 1.00 0.00 C ATOM 1423 O ALA A 92 -5.759 -7.123 0.669 1.00 0.00 O ATOM 1424 CB ALA A 92 -4.434 -9.760 -0.962 1.00 0.00 C ATOM 0 H ALA A 92 -4.438 -11.233 1.002 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.747 -8.570 0.695 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -4.430 -8.936 -1.675 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -3.494 -10.308 -1.035 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -5.263 -10.431 -1.187 1.00 0.00 H new ATOM 1430 N GLU A 93 -7.018 -8.967 0.472 1.00 0.00 N ATOM 1431 CA GLU A 93 -8.275 -8.224 0.498 1.00 0.00 C ATOM 1432 C GLU A 93 -8.601 -7.779 1.917 1.00 0.00 C ATOM 1433 O GLU A 93 -9.336 -6.811 2.127 1.00 0.00 O ATOM 1434 CB GLU A 93 -9.428 -9.065 -0.055 1.00 0.00 C ATOM 1435 CG GLU A 93 -9.077 -9.846 -1.310 1.00 0.00 C ATOM 1436 CD GLU A 93 -8.651 -11.266 -1.007 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -7.552 -11.465 -0.449 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -9.427 -12.194 -1.312 1.00 0.00 O ATOM 0 H GLU A 93 -7.124 -9.979 0.405 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.153 -7.346 -0.136 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -9.757 -9.763 0.715 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.271 -8.409 -0.272 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.939 -9.863 -1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.274 -9.334 -1.840 1.00 0.00 H new ATOM 1445 N LYS A 94 -8.042 -8.485 2.886 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.264 -8.173 4.288 1.00 0.00 C ATOM 1447 C LYS A 94 -7.505 -6.906 4.660 1.00 0.00 C ATOM 1448 O LYS A 94 -8.006 -6.058 5.394 1.00 0.00 O ATOM 1449 CB LYS A 94 -7.820 -9.348 5.160 1.00 0.00 C ATOM 1450 CG LYS A 94 -8.116 -9.168 6.636 1.00 0.00 C ATOM 1451 CD LYS A 94 -7.749 -10.414 7.421 1.00 0.00 C ATOM 1452 CE LYS A 94 -8.075 -10.258 8.892 1.00 0.00 C ATOM 1453 NZ LYS A 94 -7.229 -9.229 9.548 1.00 0.00 N ATOM 0 H LYS A 94 -7.427 -9.283 2.726 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.327 -8.002 4.458 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -8.314 -10.254 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -6.748 -9.498 5.031 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -7.558 -8.314 7.021 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -9.174 -8.946 6.774 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -8.287 -11.272 7.017 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -6.685 -10.620 7.303 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.125 -9.987 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.937 -11.214 9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.377 -9.262 10.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.228 -9.416 9.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.488 -8.287 9.191 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.301 -6.787 4.121 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.482 -5.594 4.294 1.00 0.00 C ATOM 1469 C VAL A 95 -6.203 -4.370 3.732 1.00 0.00 C ATOM 1470 O VAL A 95 -6.161 -3.284 4.311 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.117 -5.772 3.597 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.289 -4.503 3.658 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.354 -6.926 4.225 1.00 0.00 C ATOM 0 H VAL A 95 -5.864 -7.512 3.552 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.312 -5.443 5.360 1.00 0.00 H new ATOM 0 HB VAL A 95 -4.307 -5.995 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.335 -4.667 3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.825 -3.694 3.162 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.111 -4.235 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.393 -7.042 3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.190 -6.721 5.283 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.931 -7.845 4.119 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.878 -4.564 2.604 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.693 -3.516 2.003 1.00 0.00 C ATOM 1485 C ILE A 96 -8.809 -3.102 2.955 1.00 0.00 C ATOM 1486 O ILE A 96 -9.008 -1.916 3.219 1.00 0.00 O ATOM 1487 CB ILE A 96 -8.311 -3.986 0.672 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -7.208 -4.411 -0.298 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -9.175 -2.886 0.062 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -7.730 -5.027 -1.576 1.00 0.00 C ATOM 0 H ILE A 96 -6.876 -5.442 2.086 1.00 0.00 H new ATOM 0 HA ILE A 96 -7.043 -2.663 1.807 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.951 -4.846 0.868 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -6.599 -3.542 -0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -6.554 -5.127 0.200 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -9.602 -3.238 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.978 -2.629 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.562 -2.004 -0.126 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -6.892 -5.304 -2.215 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -8.315 -5.916 -1.339 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -8.360 -4.306 -2.096 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.524 -4.092 3.483 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.616 -3.837 4.418 1.00 0.00 C ATOM 1504 C ASN A 97 -10.108 -3.139 5.673 1.00 0.00 C ATOM 1505 O ASN A 97 -10.789 -2.280 6.230 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.325 -5.136 4.804 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.393 -5.545 3.808 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.553 -5.158 3.935 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -12.014 -6.332 2.813 1.00 0.00 N ATOM 0 H ASN A 97 -9.367 -5.079 3.279 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.329 -3.184 3.915 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.588 -5.935 4.887 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.779 -5.017 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.694 -6.638 2.118 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -11.042 -6.632 2.742 1.00 0.00 H new ATOM 1516 N ALA A 98 -8.907 -3.508 6.104 1.00 0.00 N ATOM 1517 CA ALA A 98 -8.287 -2.897 7.274 1.00 0.00 C ATOM 1518 C ALA A 98 -8.089 -1.400 7.065 1.00 0.00 C ATOM 1519 O ALA A 98 -8.333 -0.603 7.968 1.00 0.00 O ATOM 1520 CB ALA A 98 -6.957 -3.567 7.582 1.00 0.00 C ATOM 0 H ALA A 98 -8.341 -4.230 5.659 1.00 0.00 H new ATOM 0 HA ALA A 98 -8.955 -3.038 8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -6.508 -3.099 8.458 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.121 -4.626 7.780 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.288 -3.457 6.729 1.00 0.00 H new ATOM 1526 N ALA A 99 -7.661 -1.026 5.863 1.00 0.00 N ATOM 1527 CA ALA A 99 -7.456 0.377 5.523 1.00 0.00 C ATOM 1528 C ALA A 99 -8.777 1.143 5.561 1.00 0.00 C ATOM 1529 O ALA A 99 -8.868 2.215 6.157 1.00 0.00 O ATOM 1530 CB ALA A 99 -6.801 0.502 4.155 1.00 0.00 C ATOM 0 H ALA A 99 -7.449 -1.677 5.107 1.00 0.00 H new ATOM 0 HA ALA A 99 -6.790 0.816 6.266 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.655 1.555 3.916 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.836 -0.005 4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.442 0.045 3.401 1.00 0.00 H new ATOM 1536 N LEU A 100 -9.803 0.577 4.934 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.136 1.171 4.943 1.00 0.00 C ATOM 1538 C LEU A 100 -11.697 1.231 6.363 1.00 0.00 C ATOM 1539 O LEU A 100 -12.503 2.103 6.692 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.081 0.380 4.031 1.00 0.00 C ATOM 1541 CG LEU A 100 -11.989 0.698 2.530 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -12.400 2.136 2.261 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -10.592 0.446 1.986 1.00 0.00 C ATOM 0 H LEU A 100 -9.737 -0.296 4.411 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.055 2.190 4.564 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -11.883 -0.683 4.170 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.105 0.559 4.358 1.00 0.00 H new ATOM 0 HG LEU A 100 -12.677 0.028 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -12.328 2.341 1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -13.427 2.289 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.740 2.811 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.568 0.682 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -9.877 1.076 2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.329 -0.602 2.131 1.00 0.00 H new ATOM 1555 N ALA A 101 -11.262 0.300 7.201 1.00 0.00 N ATOM 1556 CA ALA A 101 -11.697 0.236 8.591 1.00 0.00 C ATOM 1557 C ALA A 101 -11.204 1.436 9.396 1.00 0.00 C ATOM 1558 O ALA A 101 -11.717 1.716 10.478 1.00 0.00 O ATOM 1559 CB ALA A 101 -11.230 -1.061 9.235 1.00 0.00 C ATOM 0 H ALA A 101 -10.600 -0.430 6.938 1.00 0.00 H new ATOM 0 HA ALA A 101 -12.787 0.262 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -11.563 -1.093 10.272 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -11.650 -1.908 8.693 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.142 -1.113 9.202 1.00 0.00 H new ATOM 1565 N LEU A 102 -10.209 2.138 8.868 1.00 0.00 N ATOM 1566 CA LEU A 102 -9.650 3.307 9.541 1.00 0.00 C ATOM 1567 C LEU A 102 -10.466 4.566 9.252 1.00 0.00 C ATOM 1568 O LEU A 102 -10.237 5.610 9.862 1.00 0.00 O ATOM 1569 CB LEU A 102 -8.191 3.523 9.125 1.00 0.00 C ATOM 1570 CG LEU A 102 -7.135 2.894 10.047 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -7.179 3.537 11.425 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -7.335 1.391 10.159 1.00 0.00 C ATOM 0 H LEU A 102 -9.771 1.918 7.974 1.00 0.00 H new ATOM 0 HA LEU A 102 -9.691 3.116 10.613 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.056 3.121 8.121 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -8.004 4.595 9.067 1.00 0.00 H new ATOM 0 HG LEU A 102 -6.154 3.075 9.608 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -6.424 3.079 12.064 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -6.979 4.605 11.335 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -8.165 3.389 11.864 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -6.575 0.971 10.817 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -8.324 1.185 10.569 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -7.250 0.938 9.171 1.00 0.00 H new ATOM 1584 N ILE A 103 -11.410 4.472 8.322 1.00 0.00 N ATOM 1585 CA ILE A 103 -12.262 5.613 7.999 1.00 0.00 C ATOM 1586 C ILE A 103 -13.743 5.283 8.179 1.00 0.00 C ATOM 1587 O ILE A 103 -14.533 6.147 8.561 1.00 0.00 O ATOM 1588 CB ILE A 103 -12.021 6.138 6.561 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -12.133 5.004 5.535 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -10.663 6.823 6.462 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -11.994 5.465 4.101 1.00 0.00 C ATOM 0 H ILE A 103 -11.604 3.628 7.783 1.00 0.00 H new ATOM 0 HA ILE A 103 -11.987 6.399 8.702 1.00 0.00 H new ATOM 0 HB ILE A 103 -12.794 6.872 6.335 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.365 4.260 5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.097 4.510 5.657 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.511 7.185 5.445 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -10.628 7.663 7.155 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.877 6.111 6.715 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -12.084 4.608 3.433 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.778 6.187 3.873 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -11.019 5.933 3.962 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.115 4.033 7.914 1.00 0.00 N ATOM 1604 CA ASP A 104 -15.511 3.607 8.022 1.00 0.00 C ATOM 1605 C ASP A 104 -15.623 2.214 8.615 1.00 0.00 C ATOM 1606 O ASP A 104 -16.407 1.991 9.532 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.188 3.594 6.650 1.00 0.00 C ATOM 1608 CG ASP A 104 -16.527 4.971 6.126 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -15.684 5.568 5.430 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -17.659 5.439 6.372 1.00 0.00 O ATOM 0 H ASP A 104 -13.471 3.297 7.623 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.005 4.324 8.677 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -15.533 3.095 5.936 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -17.102 3.003 6.711 1.00 0.00 H new ATOM 1615 N GLU A 105 -14.836 1.290 8.051 1.00 0.00 N ATOM 1616 CA GLU A 105 -14.890 -0.148 8.362 1.00 0.00 C ATOM 1617 C GLU A 105 -16.090 -0.794 7.666 1.00 0.00 C ATOM 1618 O GLU A 105 -16.300 -2.006 7.742 1.00 0.00 O ATOM 1619 CB GLU A 105 -14.876 -0.431 9.881 1.00 0.00 C ATOM 1620 CG GLU A 105 -16.225 -0.783 10.494 1.00 0.00 C ATOM 1621 CD GLU A 105 -16.106 -1.152 11.957 1.00 0.00 C ATOM 1622 OE1 GLU A 105 -15.550 -2.231 12.253 1.00 0.00 O ATOM 1623 OE2 GLU A 105 -16.562 -0.367 12.816 1.00 0.00 O ATOM 0 H GLU A 105 -14.130 1.523 7.353 1.00 0.00 H new ATOM 0 HA GLU A 105 -13.981 -0.605 7.972 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.184 -1.251 10.074 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -14.482 0.447 10.393 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -16.903 0.064 10.388 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -16.666 -1.615 9.945 1.00 0.00 H new ATOM 1630 N LYS A 106 -16.853 0.030 6.965 1.00 0.00 N ATOM 1631 CA LYS A 106 -17.957 -0.431 6.146 1.00 0.00 C ATOM 1632 C LYS A 106 -18.108 0.489 4.943 1.00 0.00 C ATOM 1633 O LYS A 106 -18.454 1.672 5.141 1.00 0.00 O ATOM 1634 CB LYS A 106 -19.260 -0.464 6.944 1.00 0.00 C ATOM 1635 CG LYS A 106 -20.433 -1.016 6.151 1.00 0.00 C ATOM 1636 CD LYS A 106 -21.733 -0.898 6.924 1.00 0.00 C ATOM 1637 CE LYS A 106 -22.885 -1.541 6.171 1.00 0.00 C ATOM 1638 NZ LYS A 106 -24.178 -1.357 6.879 1.00 0.00 N ATOM 1639 OXT LYS A 106 -17.881 0.030 3.808 1.00 0.00 O ATOM 0 H LYS A 106 -16.721 1.041 6.950 1.00 0.00 H new ATOM 0 HA LYS A 106 -17.743 -1.446 5.812 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -19.116 -1.071 7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -19.499 0.545 7.279 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -20.520 -0.478 5.207 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -20.248 -2.062 5.906 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -21.623 -1.373 7.899 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -21.956 0.153 7.105 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -22.953 -1.109 5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -22.688 -2.606 6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -24.940 -1.810 6.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -24.122 -1.791 7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -24.379 -0.341 6.977 1.00 0.00 H new TER 1653 LYS A 106