USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 826 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= 0.761 K(o=2,f=-7.1!) USER MOD Set 1.2: A 86 SER OG : rot -80:sc= 1.24 USER MOD Set 2.1: A 11 CYS SG : rot 15:sc= 1.19 USER MOD Set 2.2: A 13 THR OG1 : rot 180:sc= -0.183 USER MOD Set 3.1: A 9 THR OG1 : rot -33:sc= 0.975 USER MOD Set 3.2: A 40 THR OG1 : rot -52:sc= 0.476 USER MOD Single : A 2 LYS NZ :NH3+ 165:sc= -0.0117 (180deg=-0.228) USER MOD Single : A 4 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0403) USER MOD Single : A 18 THR OG1 : rot -166:sc= -2.56! USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 155:sc= -0.191 (180deg=-0.929) USER MOD Single : A 23 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -154:sc= 1.24 (180deg=0.307) USER MOD Single : A 31 LYS NZ :NH3+ 156:sc= 1.26 (180deg=1.2) USER MOD Single : A 32 MET CE :methyl 141:sc= -1.79! (180deg=-4.74!) USER MOD Single : A 34 ASN :FLIP amide:sc= -2.14! C(o=-4.2!,f=-2.1!) USER MOD Single : A 37 LYS NZ :NH3+ -108:sc= 0.575 (180deg=-1.45!) USER MOD Single : A 41 GLN : amide:sc= -2.68! C(o=-2.7!,f=-6.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc=-0.00977 X(o=-0.0098,f=0) USER MOD Single : A 51 THR OG1 : rot -83:sc= 0.71 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.698 X(o=-0.7,f=-0.4) USER MOD Single : A 67 THR OG1 : rot 159:sc= 1.15 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.302! C(o=-0.3!,f=-1.9!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -151:sc= 1.3 (180deg=1.19) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 ASN : amide:sc= 1.24 K(o=1.2,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 20 N LYS A 2 -14.156 0.511 -7.375 1.00 0.00 N ATOM 21 CA LYS A 2 -13.407 1.653 -7.923 1.00 0.00 C ATOM 22 C LYS A 2 -13.016 2.690 -6.876 1.00 0.00 C ATOM 23 O LYS A 2 -13.818 3.543 -6.494 1.00 0.00 O ATOM 24 CB LYS A 2 -14.224 2.340 -9.019 1.00 0.00 C ATOM 25 CG LYS A 2 -14.461 1.482 -10.251 1.00 0.00 C ATOM 26 CD LYS A 2 -13.155 1.117 -10.938 1.00 0.00 C ATOM 27 CE LYS A 2 -13.400 0.401 -12.257 1.00 0.00 C ATOM 28 NZ LYS A 2 -14.036 1.289 -13.267 1.00 0.00 N ATOM 0 HA LYS A 2 -12.483 1.238 -8.326 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.188 2.637 -8.606 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -13.711 3.254 -9.320 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -14.989 0.572 -9.965 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -15.103 2.018 -10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.572 2.020 -11.116 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.563 0.480 -10.281 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.453 0.028 -12.648 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.037 -0.466 -12.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.955 0.857 -14.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -15.040 1.420 -13.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -13.558 2.212 -13.268 1.00 0.00 H new ATOM 42 N ARG A 3 -11.782 2.593 -6.400 1.00 0.00 N ATOM 43 CA ARG A 3 -11.224 3.592 -5.517 1.00 0.00 C ATOM 44 C ARG A 3 -9.704 3.580 -5.619 1.00 0.00 C ATOM 45 O ARG A 3 -9.104 2.524 -5.819 1.00 0.00 O ATOM 46 CB ARG A 3 -11.672 3.309 -4.087 1.00 0.00 C ATOM 47 CG ARG A 3 -11.435 4.459 -3.125 1.00 0.00 C ATOM 48 CD ARG A 3 -12.074 5.743 -3.627 1.00 0.00 C ATOM 49 NE ARG A 3 -13.533 5.677 -3.661 1.00 0.00 N ATOM 50 CZ ARG A 3 -14.331 6.596 -3.112 1.00 0.00 C ATOM 51 NH1 ARG A 3 -13.811 7.606 -2.428 1.00 0.00 N ATOM 52 NH2 ARG A 3 -15.643 6.509 -3.252 1.00 0.00 N ATOM 0 H ARG A 3 -11.149 1.823 -6.617 1.00 0.00 H new ATOM 0 HA ARG A 3 -11.579 4.581 -5.807 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -12.735 3.066 -4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -11.145 2.428 -3.720 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -11.843 4.206 -2.146 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -10.364 4.611 -2.994 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -11.768 6.570 -2.986 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.702 5.961 -4.628 1.00 0.00 H new ATOM 0 HE ARG A 3 -13.967 4.883 -4.131 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -12.800 7.682 -2.320 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.422 8.307 -2.009 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -16.049 5.737 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -16.249 7.213 -2.831 1.00 0.00 H new ATOM 66 N LYS A 4 -9.090 4.755 -5.527 1.00 0.00 N ATOM 67 CA LYS A 4 -7.636 4.853 -5.543 1.00 0.00 C ATOM 68 C LYS A 4 -7.059 4.519 -4.177 1.00 0.00 C ATOM 69 O LYS A 4 -7.408 5.138 -3.170 1.00 0.00 O ATOM 70 CB LYS A 4 -7.180 6.248 -5.979 1.00 0.00 C ATOM 71 CG LYS A 4 -7.473 6.554 -7.440 1.00 0.00 C ATOM 72 CD LYS A 4 -6.741 5.598 -8.376 1.00 0.00 C ATOM 73 CE LYS A 4 -5.226 5.772 -8.319 1.00 0.00 C ATOM 74 NZ LYS A 4 -4.784 7.068 -8.903 1.00 0.00 N ATOM 0 H LYS A 4 -9.574 5.649 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 4 -7.264 4.129 -6.268 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.672 6.994 -5.354 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -6.108 6.342 -5.804 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -8.546 6.486 -7.618 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -7.177 7.579 -7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -6.996 4.571 -8.114 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -7.084 5.761 -9.398 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -4.894 5.711 -7.283 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.748 4.952 -8.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -3.745 7.098 -8.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -5.163 7.162 -9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -5.135 7.851 -8.316 1.00 0.00 H new ATOM 88 N ILE A 5 -6.198 3.519 -4.153 1.00 0.00 N ATOM 89 CA ILE A 5 -5.503 3.129 -2.941 1.00 0.00 C ATOM 90 C ILE A 5 -4.006 3.088 -3.211 1.00 0.00 C ATOM 91 O ILE A 5 -3.569 2.570 -4.237 1.00 0.00 O ATOM 92 CB ILE A 5 -5.977 1.746 -2.437 1.00 0.00 C ATOM 93 CG1 ILE A 5 -7.489 1.760 -2.183 1.00 0.00 C ATOM 94 CG2 ILE A 5 -5.225 1.345 -1.173 1.00 0.00 C ATOM 95 CD1 ILE A 5 -8.049 0.421 -1.751 1.00 0.00 C ATOM 0 H ILE A 5 -5.961 2.956 -4.970 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.726 3.864 -2.167 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.762 1.007 -3.209 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -7.712 2.501 -1.416 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -7.998 2.080 -3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -5.574 0.369 -0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.157 1.295 -1.385 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.405 2.084 -0.392 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -9.123 0.511 -1.591 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -7.859 -0.320 -2.527 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -7.569 0.108 -0.824 1.00 0.00 H new ATOM 107 N ILE A 6 -3.225 3.662 -2.318 1.00 0.00 N ATOM 108 CA ILE A 6 -1.779 3.641 -2.456 1.00 0.00 C ATOM 109 C ILE A 6 -1.161 2.774 -1.368 1.00 0.00 C ATOM 110 O ILE A 6 -1.513 2.886 -0.195 1.00 0.00 O ATOM 111 CB ILE A 6 -1.143 5.057 -2.434 1.00 0.00 C ATOM 112 CG1 ILE A 6 -1.630 5.894 -1.237 1.00 0.00 C ATOM 113 CG2 ILE A 6 -1.413 5.780 -3.746 1.00 0.00 C ATOM 114 CD1 ILE A 6 -3.019 6.491 -1.395 1.00 0.00 C ATOM 0 H ILE A 6 -3.565 4.149 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 6 -1.565 3.216 -3.437 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.067 4.930 -2.316 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.620 5.267 -0.346 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.920 6.703 -1.066 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.961 6.771 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -0.983 5.211 -4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.489 5.876 -3.894 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.273 7.062 -0.502 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.036 7.149 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.746 5.690 -1.533 1.00 0.00 H new ATOM 126 N ALA A 7 -0.254 1.898 -1.763 1.00 0.00 N ATOM 127 CA ALA A 7 0.348 0.958 -0.831 1.00 0.00 C ATOM 128 C ALA A 7 1.845 0.870 -1.045 1.00 0.00 C ATOM 129 O ALA A 7 2.307 0.688 -2.166 1.00 0.00 O ATOM 130 CB ALA A 7 -0.287 -0.413 -0.987 1.00 0.00 C ATOM 0 H ALA A 7 0.082 1.817 -2.722 1.00 0.00 H new ATOM 0 HA ALA A 7 0.169 1.318 0.182 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.172 -1.109 -0.284 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -1.356 -0.344 -0.784 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -0.133 -0.772 -2.005 1.00 0.00 H new ATOM 136 N VAL A 8 2.601 1.006 0.029 1.00 0.00 N ATOM 137 CA VAL A 8 4.048 0.916 -0.052 1.00 0.00 C ATOM 138 C VAL A 8 4.542 -0.375 0.589 1.00 0.00 C ATOM 139 O VAL A 8 4.145 -0.726 1.701 1.00 0.00 O ATOM 140 CB VAL A 8 4.739 2.117 0.626 1.00 0.00 C ATOM 141 CG1 VAL A 8 6.253 2.013 0.494 1.00 0.00 C ATOM 142 CG2 VAL A 8 4.239 3.425 0.031 1.00 0.00 C ATOM 0 H VAL A 8 2.238 1.179 0.966 1.00 0.00 H new ATOM 0 HA VAL A 8 4.307 0.924 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 8 4.488 2.102 1.687 1.00 0.00 H new ATOM 0 HG11 VAL A 8 6.720 2.870 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.597 1.095 0.969 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.526 2.000 -0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.737 4.262 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.459 3.447 -1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 8 3.162 3.505 0.181 1.00 0.00 H new ATOM 152 N THR A 9 5.394 -1.079 -0.135 1.00 0.00 N ATOM 153 CA THR A 9 6.029 -2.284 0.362 1.00 0.00 C ATOM 154 C THR A 9 7.532 -2.059 0.461 1.00 0.00 C ATOM 155 O THR A 9 8.199 -1.826 -0.546 1.00 0.00 O ATOM 156 CB THR A 9 5.737 -3.491 -0.556 1.00 0.00 C ATOM 157 OG1 THR A 9 5.945 -3.132 -1.932 1.00 0.00 O ATOM 158 CG2 THR A 9 4.312 -3.990 -0.364 1.00 0.00 C ATOM 0 H THR A 9 5.665 -0.830 -1.086 1.00 0.00 H new ATOM 0 HA THR A 9 5.622 -2.507 1.348 1.00 0.00 H new ATOM 0 HB THR A 9 6.424 -4.293 -0.286 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.703 -2.192 -2.065 1.00 0.00 H new ATOM 0 HG21 THR A 9 4.132 -4.840 -1.022 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.171 -4.297 0.672 1.00 0.00 H new ATOM 0 HG23 THR A 9 3.611 -3.191 -0.605 1.00 0.00 H new ATOM 166 N ALA A 10 8.062 -2.104 1.670 1.00 0.00 N ATOM 167 CA ALA A 10 9.472 -1.817 1.882 1.00 0.00 C ATOM 168 C ALA A 10 10.081 -2.767 2.900 1.00 0.00 C ATOM 169 O ALA A 10 9.821 -2.660 4.094 1.00 0.00 O ATOM 170 CB ALA A 10 9.660 -0.372 2.322 1.00 0.00 C ATOM 0 H ALA A 10 7.542 -2.335 2.517 1.00 0.00 H new ATOM 0 HA ALA A 10 9.991 -1.965 0.935 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.721 -0.174 2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.274 0.296 1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.120 -0.202 3.253 1.00 0.00 H new ATOM 176 N CYS A 11 10.885 -3.697 2.423 1.00 0.00 N ATOM 177 CA CYS A 11 11.545 -4.652 3.293 1.00 0.00 C ATOM 178 C CYS A 11 12.895 -5.039 2.709 1.00 0.00 C ATOM 179 O CYS A 11 12.984 -5.455 1.550 1.00 0.00 O ATOM 180 CB CYS A 11 10.675 -5.895 3.487 1.00 0.00 C ATOM 181 SG CYS A 11 11.390 -7.132 4.594 1.00 0.00 S ATOM 0 H CYS A 11 11.098 -3.812 1.432 1.00 0.00 H new ATOM 0 HA CYS A 11 11.700 -4.187 4.267 1.00 0.00 H new ATOM 0 HB2 CYS A 11 9.705 -5.589 3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 11 10.495 -6.354 2.515 1.00 0.00 H new ATOM 0 HG CYS A 11 12.362 -6.597 5.272 1.00 0.00 H new ATOM 187 N ALA A 12 13.940 -4.889 3.509 1.00 0.00 N ATOM 188 CA ALA A 12 15.293 -5.195 3.064 1.00 0.00 C ATOM 189 C ALA A 12 15.818 -6.455 3.738 1.00 0.00 C ATOM 190 O ALA A 12 16.769 -7.079 3.262 1.00 0.00 O ATOM 191 CB ALA A 12 16.217 -4.019 3.342 1.00 0.00 C ATOM 0 H ALA A 12 13.878 -4.557 4.471 1.00 0.00 H new ATOM 0 HA ALA A 12 15.266 -5.374 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 12 17.225 -4.261 3.005 1.00 0.00 H new ATOM 0 HB2 ALA A 12 15.857 -3.139 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 12 16.232 -3.813 4.412 1.00 0.00 H new ATOM 197 N THR A 13 15.200 -6.828 4.850 1.00 0.00 N ATOM 198 CA THR A 13 15.600 -8.023 5.571 1.00 0.00 C ATOM 199 C THR A 13 15.082 -9.272 4.863 1.00 0.00 C ATOM 200 O THR A 13 15.794 -10.269 4.722 1.00 0.00 O ATOM 201 CB THR A 13 15.089 -7.994 7.024 1.00 0.00 C ATOM 202 OG1 THR A 13 13.675 -7.772 7.039 1.00 0.00 O ATOM 203 CG2 THR A 13 15.783 -6.899 7.821 1.00 0.00 C ATOM 0 H THR A 13 14.422 -6.320 5.270 1.00 0.00 H new ATOM 0 HA THR A 13 16.689 -8.050 5.591 1.00 0.00 H new ATOM 0 HB THR A 13 15.314 -8.956 7.484 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.356 -7.756 7.966 1.00 0.00 H new ATOM 0 HG21 THR A 13 15.406 -6.898 8.844 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.858 -7.082 7.831 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.584 -5.932 7.360 1.00 0.00 H new ATOM 211 N GLY A 14 13.841 -9.196 4.404 1.00 0.00 N ATOM 212 CA GLY A 14 13.245 -10.284 3.661 1.00 0.00 C ATOM 213 C GLY A 14 12.696 -9.810 2.332 1.00 0.00 C ATOM 214 O GLY A 14 11.491 -9.610 2.189 1.00 0.00 O ATOM 0 H GLY A 14 13.231 -8.389 4.536 1.00 0.00 H new ATOM 0 HA2 GLY A 14 13.989 -11.062 3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 14 12.444 -10.732 4.249 1.00 0.00 H new ATOM 218 N VAL A 15 13.584 -9.648 1.357 1.00 0.00 N ATOM 219 CA VAL A 15 13.227 -9.092 0.057 1.00 0.00 C ATOM 220 C VAL A 15 12.170 -9.931 -0.663 1.00 0.00 C ATOM 221 O VAL A 15 11.377 -9.402 -1.443 1.00 0.00 O ATOM 222 CB VAL A 15 14.473 -8.946 -0.842 1.00 0.00 C ATOM 223 CG1 VAL A 15 15.448 -7.945 -0.244 1.00 0.00 C ATOM 224 CG2 VAL A 15 15.155 -10.290 -1.061 1.00 0.00 C ATOM 0 H VAL A 15 14.569 -9.898 1.445 1.00 0.00 H new ATOM 0 HA VAL A 15 12.801 -8.107 0.248 1.00 0.00 H new ATOM 0 HB VAL A 15 14.144 -8.575 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 15 16.320 -7.855 -0.892 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.962 -6.974 -0.153 1.00 0.00 H new ATOM 0 HG13 VAL A 15 15.762 -8.287 0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.029 -10.155 -1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 15 15.466 -10.701 -0.101 1.00 0.00 H new ATOM 0 HG23 VAL A 15 14.459 -10.977 -1.541 1.00 0.00 H new ATOM 234 N ALA A 16 12.147 -11.233 -0.388 1.00 0.00 N ATOM 235 CA ALA A 16 11.172 -12.126 -1.003 1.00 0.00 C ATOM 236 C ALA A 16 9.762 -11.801 -0.524 1.00 0.00 C ATOM 237 O ALA A 16 8.782 -12.021 -1.236 1.00 0.00 O ATOM 238 CB ALA A 16 11.516 -13.575 -0.701 1.00 0.00 C ATOM 0 H ALA A 16 12.792 -11.691 0.256 1.00 0.00 H new ATOM 0 HA ALA A 16 11.207 -11.978 -2.082 1.00 0.00 H new ATOM 0 HB1 ALA A 16 10.779 -14.229 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 16 12.506 -13.804 -1.096 1.00 0.00 H new ATOM 0 HB3 ALA A 16 11.511 -13.733 0.377 1.00 0.00 H new ATOM 244 N HIS A 17 9.673 -11.257 0.684 1.00 0.00 N ATOM 245 CA HIS A 17 8.387 -10.890 1.268 1.00 0.00 C ATOM 246 C HIS A 17 7.872 -9.625 0.591 1.00 0.00 C ATOM 247 O HIS A 17 6.679 -9.490 0.313 1.00 0.00 O ATOM 248 CB HIS A 17 8.512 -10.643 2.781 1.00 0.00 C ATOM 249 CG HIS A 17 9.053 -11.804 3.571 1.00 0.00 C ATOM 250 ND1 HIS A 17 8.371 -12.391 4.615 1.00 0.00 N ATOM 251 CD2 HIS A 17 10.239 -12.457 3.493 1.00 0.00 C ATOM 252 CE1 HIS A 17 9.114 -13.345 5.144 1.00 0.00 C ATOM 253 NE2 HIS A 17 10.252 -13.408 4.483 1.00 0.00 N ATOM 0 H HIS A 17 10.477 -11.060 1.280 1.00 0.00 H new ATOM 0 HA HIS A 17 7.690 -11.714 1.113 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.159 -9.781 2.941 1.00 0.00 H new ATOM 0 HB3 HIS A 17 7.529 -10.382 3.174 1.00 0.00 H new ATOM 0 HD2 HIS A 17 11.029 -12.264 2.782 1.00 0.00 H new ATOM 0 HE1 HIS A 17 8.836 -13.970 5.980 1.00 0.00 H new ATOM 0 HE2 HIS A 17 11.016 -14.056 4.675 1.00 0.00 H new ATOM 262 N THR A 18 8.800 -8.714 0.318 1.00 0.00 N ATOM 263 CA THR A 18 8.492 -7.431 -0.295 1.00 0.00 C ATOM 264 C THR A 18 7.843 -7.608 -1.664 1.00 0.00 C ATOM 265 O THR A 18 6.717 -7.163 -1.893 1.00 0.00 O ATOM 266 CB THR A 18 9.780 -6.603 -0.460 1.00 0.00 C ATOM 267 OG1 THR A 18 10.652 -6.856 0.649 1.00 0.00 O ATOM 268 CG2 THR A 18 9.468 -5.116 -0.534 1.00 0.00 C ATOM 0 H THR A 18 9.791 -8.847 0.518 1.00 0.00 H new ATOM 0 HA THR A 18 7.792 -6.913 0.361 1.00 0.00 H new ATOM 0 HB THR A 18 10.264 -6.898 -1.391 1.00 0.00 H new ATOM 0 HG1 THR A 18 11.360 -6.179 0.670 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.395 -4.555 -0.650 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.817 -4.923 -1.387 1.00 0.00 H new ATOM 0 HG23 THR A 18 8.967 -4.803 0.382 1.00 0.00 H new ATOM 276 N TYR A 19 8.555 -8.282 -2.561 1.00 0.00 N ATOM 277 CA TYR A 19 8.102 -8.443 -3.938 1.00 0.00 C ATOM 278 C TYR A 19 6.840 -9.291 -4.017 1.00 0.00 C ATOM 279 O TYR A 19 6.034 -9.140 -4.939 1.00 0.00 O ATOM 280 CB TYR A 19 9.212 -9.056 -4.792 1.00 0.00 C ATOM 281 CG TYR A 19 10.439 -8.178 -4.887 1.00 0.00 C ATOM 282 CD1 TYR A 19 10.338 -6.875 -5.356 1.00 0.00 C ATOM 283 CD2 TYR A 19 11.690 -8.641 -4.499 1.00 0.00 C ATOM 284 CE1 TYR A 19 11.447 -6.060 -5.439 1.00 0.00 C ATOM 285 CE2 TYR A 19 12.807 -7.829 -4.579 1.00 0.00 C ATOM 286 CZ TYR A 19 12.678 -6.539 -5.051 1.00 0.00 C ATOM 287 OH TYR A 19 13.783 -5.722 -5.133 1.00 0.00 O ATOM 0 H TYR A 19 9.450 -8.727 -2.358 1.00 0.00 H new ATOM 0 HA TYR A 19 7.860 -7.454 -4.327 1.00 0.00 H new ATOM 0 HB2 TYR A 19 9.495 -10.021 -4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 19 8.829 -9.245 -5.795 1.00 0.00 H new ATOM 0 HD1 TYR A 19 9.375 -6.494 -5.661 1.00 0.00 H new ATOM 0 HD2 TYR A 19 11.792 -9.651 -4.129 1.00 0.00 H new ATOM 0 HE1 TYR A 19 11.350 -5.049 -5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 19 13.773 -8.202 -4.274 1.00 0.00 H new ATOM 0 HH TYR A 19 14.574 -6.209 -4.821 1.00 0.00 H new ATOM 297 N MET A 20 6.666 -10.179 -3.049 1.00 0.00 N ATOM 298 CA MET A 20 5.465 -10.993 -2.989 1.00 0.00 C ATOM 299 C MET A 20 4.254 -10.123 -2.687 1.00 0.00 C ATOM 300 O MET A 20 3.311 -10.066 -3.477 1.00 0.00 O ATOM 301 CB MET A 20 5.582 -12.083 -1.928 1.00 0.00 C ATOM 302 CG MET A 20 4.346 -12.963 -1.850 1.00 0.00 C ATOM 303 SD MET A 20 4.132 -13.996 -3.314 1.00 0.00 S ATOM 304 CE MET A 20 5.648 -14.952 -3.280 1.00 0.00 C ATOM 0 H MET A 20 7.337 -10.352 -2.300 1.00 0.00 H new ATOM 0 HA MET A 20 5.342 -11.470 -3.961 1.00 0.00 H new ATOM 0 HB2 MET A 20 6.451 -12.704 -2.145 1.00 0.00 H new ATOM 0 HB3 MET A 20 5.755 -11.621 -0.956 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.414 -13.600 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 20 3.465 -12.334 -1.722 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.495 -15.896 -3.804 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.444 -14.390 -3.769 1.00 0.00 H new ATOM 0 HE3 MET A 20 5.929 -15.153 -2.246 1.00 0.00 H new ATOM 314 N ALA A 21 4.304 -9.429 -1.551 1.00 0.00 N ATOM 315 CA ALA A 21 3.195 -8.595 -1.105 1.00 0.00 C ATOM 316 C ALA A 21 2.870 -7.518 -2.132 1.00 0.00 C ATOM 317 O ALA A 21 1.704 -7.230 -2.388 1.00 0.00 O ATOM 318 CB ALA A 21 3.515 -7.966 0.242 1.00 0.00 C ATOM 0 H ALA A 21 5.107 -9.430 -0.921 1.00 0.00 H new ATOM 0 HA ALA A 21 2.316 -9.231 -0.996 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.678 -7.346 0.562 1.00 0.00 H new ATOM 0 HB2 ALA A 21 3.688 -8.751 0.978 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.409 -7.350 0.152 1.00 0.00 H new ATOM 324 N ALA A 22 3.913 -6.944 -2.725 1.00 0.00 N ATOM 325 CA ALA A 22 3.756 -5.906 -3.737 1.00 0.00 C ATOM 326 C ALA A 22 2.840 -6.371 -4.865 1.00 0.00 C ATOM 327 O ALA A 22 1.812 -5.752 -5.137 1.00 0.00 O ATOM 328 CB ALA A 22 5.114 -5.503 -4.293 1.00 0.00 C ATOM 0 H ALA A 22 4.883 -7.183 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 22 3.295 -5.039 -3.263 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.983 -4.727 -5.048 1.00 0.00 H new ATOM 0 HB2 ALA A 22 5.739 -5.122 -3.486 1.00 0.00 H new ATOM 0 HB3 ALA A 22 5.594 -6.371 -4.745 1.00 0.00 H new ATOM 334 N GLN A 23 3.201 -7.479 -5.500 1.00 0.00 N ATOM 335 CA GLN A 23 2.434 -7.988 -6.628 1.00 0.00 C ATOM 336 C GLN A 23 1.104 -8.576 -6.169 1.00 0.00 C ATOM 337 O GLN A 23 0.107 -8.477 -6.878 1.00 0.00 O ATOM 338 CB GLN A 23 3.235 -9.033 -7.405 1.00 0.00 C ATOM 339 CG GLN A 23 4.510 -8.484 -8.018 1.00 0.00 C ATOM 340 CD GLN A 23 5.235 -9.509 -8.866 1.00 0.00 C ATOM 341 OE1 GLN A 23 4.614 -10.382 -9.475 1.00 0.00 O ATOM 342 NE2 GLN A 23 6.552 -9.414 -8.905 1.00 0.00 N ATOM 0 H GLN A 23 4.017 -8.040 -5.254 1.00 0.00 H new ATOM 0 HA GLN A 23 2.226 -7.148 -7.291 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.487 -9.856 -6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.609 -9.445 -8.196 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.270 -7.615 -8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 23 5.173 -8.141 -7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 23 7.026 -8.675 -8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 23 7.095 -10.079 -9.455 1.00 0.00 H new ATOM 351 N ALA A 24 1.090 -9.175 -4.979 1.00 0.00 N ATOM 352 CA ALA A 24 -0.134 -9.748 -4.421 1.00 0.00 C ATOM 353 C ALA A 24 -1.201 -8.674 -4.263 1.00 0.00 C ATOM 354 O ALA A 24 -2.370 -8.889 -4.594 1.00 0.00 O ATOM 355 CB ALA A 24 0.148 -10.424 -3.084 1.00 0.00 C ATOM 0 H ALA A 24 1.912 -9.276 -4.383 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.505 -10.504 -5.113 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.776 -10.844 -2.686 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.877 -11.222 -3.226 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.545 -9.691 -2.382 1.00 0.00 H new ATOM 361 N LEU A 25 -0.781 -7.518 -3.764 1.00 0.00 N ATOM 362 CA LEU A 25 -1.663 -6.359 -3.647 1.00 0.00 C ATOM 363 C LEU A 25 -2.172 -5.916 -5.015 1.00 0.00 C ATOM 364 O LEU A 25 -3.356 -5.625 -5.183 1.00 0.00 O ATOM 365 CB LEU A 25 -0.928 -5.197 -2.974 1.00 0.00 C ATOM 366 CG LEU A 25 -0.619 -5.389 -1.490 1.00 0.00 C ATOM 367 CD1 LEU A 25 0.206 -4.227 -0.962 1.00 0.00 C ATOM 368 CD2 LEU A 25 -1.908 -5.528 -0.699 1.00 0.00 C ATOM 0 H LEU A 25 0.170 -7.356 -3.432 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.517 -6.651 -3.035 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.009 -5.026 -3.504 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.528 -4.294 -3.089 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.037 -6.303 -1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.416 -4.381 0.096 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.144 -4.167 -1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.350 -3.298 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.674 -5.664 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.510 -4.628 -0.824 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.466 -6.391 -1.061 1.00 0.00 H new ATOM 380 N LYS A 26 -1.271 -5.874 -5.990 1.00 0.00 N ATOM 381 CA LYS A 26 -1.617 -5.451 -7.343 1.00 0.00 C ATOM 382 C LYS A 26 -2.630 -6.406 -7.971 1.00 0.00 C ATOM 383 O LYS A 26 -3.521 -5.983 -8.704 1.00 0.00 O ATOM 384 CB LYS A 26 -0.358 -5.362 -8.209 1.00 0.00 C ATOM 385 CG LYS A 26 0.669 -4.381 -7.669 1.00 0.00 C ATOM 386 CD LYS A 26 1.894 -4.277 -8.563 1.00 0.00 C ATOM 387 CE LYS A 26 1.574 -3.595 -9.885 1.00 0.00 C ATOM 388 NZ LYS A 26 2.787 -3.431 -10.729 1.00 0.00 N ATOM 0 H LYS A 26 -0.291 -6.129 -5.868 1.00 0.00 H new ATOM 0 HA LYS A 26 -2.074 -4.463 -7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.096 -6.350 -8.282 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.639 -5.065 -9.219 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.211 -3.397 -7.569 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.976 -4.693 -6.671 1.00 0.00 H new ATOM 0 HD2 LYS A 26 2.675 -3.719 -8.046 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.289 -5.274 -8.755 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.831 -4.181 -10.426 1.00 0.00 H new ATOM 0 HE3 LYS A 26 1.130 -2.618 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.529 -2.963 -11.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.486 -2.851 -10.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 3.196 -4.365 -10.934 1.00 0.00 H new ATOM 402 N LYS A 27 -2.490 -7.689 -7.671 1.00 0.00 N ATOM 403 CA LYS A 27 -3.418 -8.702 -8.161 1.00 0.00 C ATOM 404 C LYS A 27 -4.770 -8.567 -7.475 1.00 0.00 C ATOM 405 O LYS A 27 -5.811 -8.465 -8.130 1.00 0.00 O ATOM 406 CB LYS A 27 -2.856 -10.096 -7.907 1.00 0.00 C ATOM 407 CG LYS A 27 -1.532 -10.362 -8.604 1.00 0.00 C ATOM 408 CD LYS A 27 -0.948 -11.694 -8.180 1.00 0.00 C ATOM 409 CE LYS A 27 0.493 -11.843 -8.630 1.00 0.00 C ATOM 410 NZ LYS A 27 1.085 -13.117 -8.147 1.00 0.00 N ATOM 0 H LYS A 27 -1.739 -8.056 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.549 -8.554 -9.233 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.725 -10.234 -6.834 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -3.584 -10.837 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.678 -10.353 -9.684 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.828 -9.563 -8.371 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.002 -11.786 -7.095 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.546 -12.503 -8.599 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.541 -11.808 -9.718 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.080 -11.003 -8.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.070 -13.187 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.061 -13.139 -7.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.539 -13.918 -8.523 1.00 0.00 H new ATOM 424 N GLY A 28 -4.734 -8.547 -6.145 1.00 0.00 N ATOM 425 CA GLY A 28 -5.945 -8.436 -5.348 1.00 0.00 C ATOM 426 C GLY A 28 -6.737 -7.178 -5.647 1.00 0.00 C ATOM 427 O GLY A 28 -7.933 -7.108 -5.360 1.00 0.00 O ATOM 0 H GLY A 28 -3.875 -8.607 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.574 -9.307 -5.530 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.680 -8.450 -4.291 1.00 0.00 H new ATOM 431 N ALA A 29 -6.069 -6.187 -6.226 1.00 0.00 N ATOM 432 CA ALA A 29 -6.720 -4.948 -6.624 1.00 0.00 C ATOM 433 C ALA A 29 -7.910 -5.218 -7.537 1.00 0.00 C ATOM 434 O ALA A 29 -9.004 -4.706 -7.308 1.00 0.00 O ATOM 435 CB ALA A 29 -5.731 -4.033 -7.324 1.00 0.00 C ATOM 0 H ALA A 29 -5.070 -6.220 -6.431 1.00 0.00 H new ATOM 0 HA ALA A 29 -7.085 -4.459 -5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.233 -3.110 -7.616 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.909 -3.801 -6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -5.341 -4.530 -8.212 1.00 0.00 H new ATOM 441 N LYS A 30 -7.697 -6.035 -8.561 1.00 0.00 N ATOM 442 CA LYS A 30 -8.749 -6.332 -9.527 1.00 0.00 C ATOM 443 C LYS A 30 -9.844 -7.179 -8.890 1.00 0.00 C ATOM 444 O LYS A 30 -11.008 -7.120 -9.290 1.00 0.00 O ATOM 445 CB LYS A 30 -8.192 -7.056 -10.760 1.00 0.00 C ATOM 446 CG LYS A 30 -7.258 -6.213 -11.616 1.00 0.00 C ATOM 447 CD LYS A 30 -5.866 -6.122 -11.016 1.00 0.00 C ATOM 448 CE LYS A 30 -4.929 -5.340 -11.917 1.00 0.00 C ATOM 449 NZ LYS A 30 -3.526 -5.386 -11.430 1.00 0.00 N ATOM 0 H LYS A 30 -6.809 -6.503 -8.744 1.00 0.00 H new ATOM 0 HA LYS A 30 -9.172 -5.379 -9.847 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.658 -7.948 -10.432 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.026 -7.392 -11.376 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.195 -6.643 -12.616 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.672 -5.211 -11.726 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.919 -5.642 -10.039 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.469 -7.125 -10.858 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.976 -5.744 -12.928 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.260 -4.303 -11.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.016 -4.543 -11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.520 -5.408 -10.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.059 -6.240 -11.797 1.00 0.00 H new ATOM 463 N LYS A 31 -9.459 -7.955 -7.891 1.00 0.00 N ATOM 464 CA LYS A 31 -10.387 -8.827 -7.185 1.00 0.00 C ATOM 465 C LYS A 31 -11.340 -7.999 -6.327 1.00 0.00 C ATOM 466 O LYS A 31 -12.488 -8.384 -6.097 1.00 0.00 O ATOM 467 CB LYS A 31 -9.604 -9.820 -6.324 1.00 0.00 C ATOM 468 CG LYS A 31 -10.448 -10.920 -5.708 1.00 0.00 C ATOM 469 CD LYS A 31 -9.572 -11.923 -4.979 1.00 0.00 C ATOM 470 CE LYS A 31 -10.389 -13.035 -4.351 1.00 0.00 C ATOM 471 NZ LYS A 31 -9.521 -14.039 -3.678 1.00 0.00 N ATOM 0 H LYS A 31 -8.500 -8.000 -7.547 1.00 0.00 H new ATOM 0 HA LYS A 31 -10.981 -9.384 -7.909 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.825 -10.276 -6.935 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.103 -9.273 -5.525 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -11.169 -10.487 -5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.019 -11.426 -6.486 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.852 -12.351 -5.677 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.000 -11.411 -4.205 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -11.085 -12.612 -3.627 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -10.987 -13.526 -5.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.067 -14.532 -2.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.181 -14.729 -4.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.708 -13.559 -3.242 1.00 0.00 H new ATOM 485 N MET A 32 -10.855 -6.855 -5.859 1.00 0.00 N ATOM 486 CA MET A 32 -11.682 -5.927 -5.095 1.00 0.00 C ATOM 487 C MET A 32 -12.312 -4.893 -6.025 1.00 0.00 C ATOM 488 O MET A 32 -13.231 -4.167 -5.642 1.00 0.00 O ATOM 489 CB MET A 32 -10.847 -5.225 -4.022 1.00 0.00 C ATOM 490 CG MET A 32 -10.227 -6.159 -2.982 1.00 0.00 C ATOM 491 SD MET A 32 -11.412 -6.782 -1.762 1.00 0.00 S ATOM 492 CE MET A 32 -12.299 -8.023 -2.702 1.00 0.00 C ATOM 0 H MET A 32 -9.892 -6.547 -5.995 1.00 0.00 H new ATOM 0 HA MET A 32 -12.475 -6.493 -4.606 1.00 0.00 H new ATOM 0 HB2 MET A 32 -10.049 -4.666 -4.510 1.00 0.00 H new ATOM 0 HB3 MET A 32 -11.477 -4.499 -3.508 1.00 0.00 H new ATOM 0 HG2 MET A 32 -9.768 -7.005 -3.494 1.00 0.00 H new ATOM 0 HG3 MET A 32 -9.428 -5.630 -2.462 1.00 0.00 H new ATOM 0 HE1 MET A 32 -12.501 -8.885 -2.066 1.00 0.00 H new ATOM 0 HE2 MET A 32 -13.241 -7.606 -3.058 1.00 0.00 H new ATOM 0 HE3 MET A 32 -11.695 -8.334 -3.554 1.00 0.00 H new ATOM 502 N GLY A 33 -11.789 -4.822 -7.244 1.00 0.00 N ATOM 503 CA GLY A 33 -12.341 -3.942 -8.258 1.00 0.00 C ATOM 504 C GLY A 33 -11.893 -2.502 -8.100 1.00 0.00 C ATOM 505 O GLY A 33 -12.542 -1.588 -8.602 1.00 0.00 O ATOM 0 H GLY A 33 -10.982 -5.366 -7.551 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.046 -4.302 -9.244 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -13.429 -3.985 -8.215 1.00 0.00 H new ATOM 509 N ASN A 34 -10.787 -2.299 -7.403 1.00 0.00 N ATOM 510 CA ASN A 34 -10.270 -0.958 -7.158 1.00 0.00 C ATOM 511 C ASN A 34 -8.922 -0.755 -7.835 1.00 0.00 C ATOM 512 O ASN A 34 -8.330 -1.703 -8.352 1.00 0.00 O ATOM 513 CB ASN A 34 -10.159 -0.693 -5.652 1.00 0.00 C ATOM 514 CG ASN A 34 -9.439 -1.792 -4.888 1.00 0.00 C ATOM 515 OD1 ASN A 34 -8.470 -2.434 -5.518 1.00 0.00 O flip ATOM 516 ND2 ASN A 34 -9.754 -2.060 -3.734 1.00 0.00 N flip ATOM 0 H ASN A 34 -10.227 -3.047 -6.995 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.972 -0.244 -7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -9.634 0.249 -5.496 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -11.160 -0.572 -5.239 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.507 -1.544 -3.278 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -9.263 -2.799 -3.230 1.00 0.00 H new ATOM 523 N LEU A 35 -8.427 0.472 -7.797 1.00 0.00 N ATOM 524 CA LEU A 35 -7.183 0.817 -8.465 1.00 0.00 C ATOM 525 C LEU A 35 -6.104 1.121 -7.434 1.00 0.00 C ATOM 526 O LEU A 35 -6.138 2.162 -6.773 1.00 0.00 O ATOM 527 CB LEU A 35 -7.395 2.027 -9.380 1.00 0.00 C ATOM 528 CG LEU A 35 -8.539 1.888 -10.390 1.00 0.00 C ATOM 529 CD1 LEU A 35 -8.711 3.176 -11.182 1.00 0.00 C ATOM 530 CD2 LEU A 35 -8.293 0.715 -11.329 1.00 0.00 C ATOM 0 H LEU A 35 -8.871 1.249 -7.308 1.00 0.00 H new ATOM 0 HA LEU A 35 -6.861 -0.029 -9.072 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -7.584 2.903 -8.760 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -6.471 2.216 -9.926 1.00 0.00 H new ATOM 0 HG LEU A 35 -9.458 1.695 -9.837 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -9.528 3.059 -11.894 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -8.939 3.995 -10.500 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.789 3.398 -11.720 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -9.118 0.636 -12.037 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.362 0.874 -11.873 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -8.222 -0.206 -10.750 1.00 0.00 H new ATOM 542 N ILE A 36 -5.150 0.217 -7.294 1.00 0.00 N ATOM 543 CA ILE A 36 -4.114 0.370 -6.293 1.00 0.00 C ATOM 544 C ILE A 36 -2.787 0.743 -6.946 1.00 0.00 C ATOM 545 O ILE A 36 -2.471 0.296 -8.051 1.00 0.00 O ATOM 546 CB ILE A 36 -3.944 -0.917 -5.444 1.00 0.00 C ATOM 547 CG1 ILE A 36 -3.135 -0.627 -4.176 1.00 0.00 C ATOM 548 CG2 ILE A 36 -3.271 -2.022 -6.251 1.00 0.00 C ATOM 549 CD1 ILE A 36 -3.033 -1.811 -3.237 1.00 0.00 C ATOM 0 H ILE A 36 -5.073 -0.628 -7.860 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.422 1.175 -5.626 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.939 -1.258 -5.156 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.131 -0.312 -4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.593 0.208 -3.646 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -3.165 -2.912 -5.631 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.880 -2.258 -7.123 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.286 -1.687 -6.576 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.446 -1.532 -2.362 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -4.032 -2.113 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.547 -2.641 -3.750 1.00 0.00 H new ATOM 561 N LYS A 37 -2.037 1.592 -6.268 1.00 0.00 N ATOM 562 CA LYS A 37 -0.706 1.968 -6.703 1.00 0.00 C ATOM 563 C LYS A 37 0.304 1.496 -5.673 1.00 0.00 C ATOM 564 O LYS A 37 0.412 2.074 -4.589 1.00 0.00 O ATOM 565 CB LYS A 37 -0.609 3.485 -6.892 1.00 0.00 C ATOM 566 CG LYS A 37 -1.446 4.013 -8.047 1.00 0.00 C ATOM 567 CD LYS A 37 -0.952 3.484 -9.388 1.00 0.00 C ATOM 568 CE LYS A 37 0.471 3.942 -9.681 1.00 0.00 C ATOM 569 NZ LYS A 37 0.558 5.411 -9.900 1.00 0.00 N ATOM 0 H LYS A 37 -2.334 2.040 -5.401 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.494 1.497 -7.663 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.924 3.978 -5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.434 3.755 -7.057 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.487 3.725 -7.903 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.414 5.103 -8.051 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -0.991 2.395 -9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.616 3.826 -10.182 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.119 3.662 -8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.843 3.423 -10.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.730 5.602 -10.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.335 5.859 -9.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 1.340 5.800 -9.335 1.00 0.00 H new ATOM 583 N VAL A 38 1.012 0.425 -5.996 1.00 0.00 N ATOM 584 CA VAL A 38 1.949 -0.175 -5.060 1.00 0.00 C ATOM 585 C VAL A 38 3.374 0.310 -5.307 1.00 0.00 C ATOM 586 O VAL A 38 3.892 0.237 -6.421 1.00 0.00 O ATOM 587 CB VAL A 38 1.912 -1.718 -5.127 1.00 0.00 C ATOM 588 CG1 VAL A 38 2.875 -2.331 -4.118 1.00 0.00 C ATOM 589 CG2 VAL A 38 0.497 -2.230 -4.891 1.00 0.00 C ATOM 0 H VAL A 38 0.955 -0.046 -6.899 1.00 0.00 H new ATOM 0 HA VAL A 38 1.637 0.140 -4.064 1.00 0.00 H new ATOM 0 HB VAL A 38 2.229 -2.020 -6.125 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.830 -3.418 -4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.890 -1.996 -4.334 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.596 -2.018 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.491 -3.319 -4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.154 -1.911 -3.907 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.168 -1.827 -5.655 1.00 0.00 H new ATOM 599 N GLU A 39 3.987 0.816 -4.254 1.00 0.00 N ATOM 600 CA GLU A 39 5.377 1.230 -4.281 1.00 0.00 C ATOM 601 C GLU A 39 6.224 0.161 -3.606 1.00 0.00 C ATOM 602 O GLU A 39 5.759 -0.513 -2.687 1.00 0.00 O ATOM 603 CB GLU A 39 5.527 2.574 -3.560 1.00 0.00 C ATOM 604 CG GLU A 39 6.961 3.067 -3.432 1.00 0.00 C ATOM 605 CD GLU A 39 7.038 4.495 -2.933 1.00 0.00 C ATOM 606 OE1 GLU A 39 6.844 5.417 -3.751 1.00 0.00 O ATOM 607 OE2 GLU A 39 7.298 4.702 -1.732 1.00 0.00 O ATOM 0 H GLU A 39 3.532 0.952 -3.351 1.00 0.00 H new ATOM 0 HA GLU A 39 5.712 1.352 -5.311 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.945 3.325 -4.094 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.096 2.487 -2.563 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.506 2.416 -2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.454 2.997 -4.401 1.00 0.00 H new ATOM 614 N THR A 40 7.448 -0.008 -4.063 1.00 0.00 N ATOM 615 CA THR A 40 8.333 -1.008 -3.494 1.00 0.00 C ATOM 616 C THR A 40 9.718 -0.426 -3.238 1.00 0.00 C ATOM 617 O THR A 40 10.375 0.059 -4.159 1.00 0.00 O ATOM 618 CB THR A 40 8.452 -2.241 -4.416 1.00 0.00 C ATOM 619 OG1 THR A 40 7.153 -2.796 -4.652 1.00 0.00 O ATOM 620 CG2 THR A 40 9.353 -3.303 -3.801 1.00 0.00 C ATOM 0 H THR A 40 7.854 0.533 -4.826 1.00 0.00 H new ATOM 0 HA THR A 40 7.898 -1.323 -2.545 1.00 0.00 H new ATOM 0 HB THR A 40 8.894 -1.918 -5.358 1.00 0.00 H new ATOM 0 HG1 THR A 40 6.702 -2.950 -3.795 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.418 -4.159 -4.473 1.00 0.00 H new ATOM 0 HG22 THR A 40 10.349 -2.889 -3.644 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.938 -3.623 -2.845 1.00 0.00 H new ATOM 628 N GLN A 41 10.144 -0.459 -1.984 1.00 0.00 N ATOM 629 CA GLN A 41 11.477 -0.020 -1.612 1.00 0.00 C ATOM 630 C GLN A 41 12.234 -1.154 -0.943 1.00 0.00 C ATOM 631 O GLN A 41 11.637 -2.007 -0.283 1.00 0.00 O ATOM 632 CB GLN A 41 11.433 1.168 -0.645 1.00 0.00 C ATOM 633 CG GLN A 41 10.915 2.470 -1.241 1.00 0.00 C ATOM 634 CD GLN A 41 11.343 3.673 -0.414 1.00 0.00 C ATOM 635 OE1 GLN A 41 10.647 4.684 -0.334 1.00 0.00 O ATOM 636 NE2 GLN A 41 12.508 3.566 0.208 1.00 0.00 N ATOM 0 H GLN A 41 9.578 -0.789 -1.202 1.00 0.00 H new ATOM 0 HA GLN A 41 11.981 0.288 -2.528 1.00 0.00 H new ATOM 0 HB2 GLN A 41 10.805 0.901 0.205 1.00 0.00 H new ATOM 0 HB3 GLN A 41 12.438 1.338 -0.258 1.00 0.00 H new ATOM 0 HG2 GLN A 41 11.286 2.578 -2.260 1.00 0.00 H new ATOM 0 HG3 GLN A 41 9.827 2.437 -1.300 1.00 0.00 H new ATOM 0 HE21 GLN A 41 13.058 2.711 0.118 1.00 0.00 H new ATOM 0 HE22 GLN A 41 12.855 4.338 0.777 1.00 0.00 H new ATOM 645 N GLY A 42 13.539 -1.171 -1.132 1.00 0.00 N ATOM 646 CA GLY A 42 14.381 -2.058 -0.363 1.00 0.00 C ATOM 647 C GLY A 42 14.936 -1.333 0.841 1.00 0.00 C ATOM 648 O GLY A 42 14.552 -1.601 1.980 1.00 0.00 O ATOM 0 H GLY A 42 14.033 -0.586 -1.805 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.808 -2.928 -0.041 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.198 -2.426 -0.984 1.00 0.00 H new ATOM 652 N ALA A 43 15.825 -0.391 0.574 1.00 0.00 N ATOM 653 CA ALA A 43 16.360 0.489 1.602 1.00 0.00 C ATOM 654 C ALA A 43 16.564 1.885 1.031 1.00 0.00 C ATOM 655 O ALA A 43 16.137 2.879 1.616 1.00 0.00 O ATOM 656 CB ALA A 43 17.667 -0.061 2.152 1.00 0.00 C ATOM 0 H ALA A 43 16.196 -0.214 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 43 15.646 0.545 2.424 1.00 0.00 H new ATOM 0 HB1 ALA A 43 18.051 0.612 2.919 1.00 0.00 H new ATOM 0 HB2 ALA A 43 17.493 -1.046 2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 43 18.395 -0.144 1.345 1.00 0.00 H new ATOM 662 N THR A 44 17.212 1.946 -0.124 1.00 0.00 N ATOM 663 CA THR A 44 17.422 3.205 -0.824 1.00 0.00 C ATOM 664 C THR A 44 16.758 3.162 -2.201 1.00 0.00 C ATOM 665 O THR A 44 16.331 4.187 -2.736 1.00 0.00 O ATOM 666 CB THR A 44 18.926 3.490 -1.008 1.00 0.00 C ATOM 667 OG1 THR A 44 19.643 3.196 0.201 1.00 0.00 O ATOM 668 CG2 THR A 44 19.162 4.942 -1.391 1.00 0.00 C ATOM 0 H THR A 44 17.604 1.132 -0.598 1.00 0.00 H new ATOM 0 HA THR A 44 16.978 3.997 -0.221 1.00 0.00 H new ATOM 0 HB THR A 44 19.290 2.849 -1.811 1.00 0.00 H new ATOM 0 HG1 THR A 44 20.596 3.380 0.069 1.00 0.00 H new ATOM 0 HG21 THR A 44 20.231 5.117 -1.515 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.648 5.159 -2.327 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.777 5.593 -0.606 1.00 0.00 H new ATOM 676 N GLY A 45 16.665 1.961 -2.762 1.00 0.00 N ATOM 677 CA GLY A 45 16.142 1.802 -4.104 1.00 0.00 C ATOM 678 C GLY A 45 14.637 1.668 -4.131 1.00 0.00 C ATOM 679 O GLY A 45 14.058 0.867 -3.391 1.00 0.00 O ATOM 0 H GLY A 45 16.944 1.092 -2.308 1.00 0.00 H new ATOM 0 HA2 GLY A 45 16.437 2.660 -4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.590 0.920 -4.562 1.00 0.00 H new ATOM 683 N ILE A 46 14.007 2.463 -4.979 1.00 0.00 N ATOM 684 CA ILE A 46 12.568 2.417 -5.154 1.00 0.00 C ATOM 685 C ILE A 46 12.235 1.824 -6.520 1.00 0.00 C ATOM 686 O ILE A 46 12.783 2.252 -7.533 1.00 0.00 O ATOM 687 CB ILE A 46 11.944 3.826 -5.049 1.00 0.00 C ATOM 688 CG1 ILE A 46 12.402 4.523 -3.765 1.00 0.00 C ATOM 689 CG2 ILE A 46 10.422 3.741 -5.092 1.00 0.00 C ATOM 690 CD1 ILE A 46 11.901 5.947 -3.631 1.00 0.00 C ATOM 0 H ILE A 46 14.477 3.155 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 46 12.153 1.794 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 46 12.283 4.415 -5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 46 12.060 3.945 -2.907 1.00 0.00 H new ATOM 0 HG13 ILE A 46 13.492 4.526 -3.733 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.999 4.743 -5.017 1.00 0.00 H new ATOM 0 HG22 ILE A 46 10.109 3.285 -6.031 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.068 3.134 -4.259 1.00 0.00 H new ATOM 0 HD11 ILE A 46 12.266 6.375 -2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.265 6.541 -4.469 1.00 0.00 H new ATOM 0 HD13 ILE A 46 10.811 5.951 -3.630 1.00 0.00 H new ATOM 702 N GLU A 47 11.351 0.841 -6.547 1.00 0.00 N ATOM 703 CA GLU A 47 10.979 0.189 -7.796 1.00 0.00 C ATOM 704 C GLU A 47 9.854 0.950 -8.499 1.00 0.00 C ATOM 705 O GLU A 47 9.800 1.000 -9.726 1.00 0.00 O ATOM 706 CB GLU A 47 10.557 -1.260 -7.533 1.00 0.00 C ATOM 707 CG GLU A 47 10.345 -2.075 -8.800 1.00 0.00 C ATOM 708 CD GLU A 47 10.047 -3.531 -8.515 1.00 0.00 C ATOM 709 OE1 GLU A 47 10.986 -4.272 -8.161 1.00 0.00 O ATOM 710 OE2 GLU A 47 8.878 -3.945 -8.650 1.00 0.00 O ATOM 0 H GLU A 47 10.877 0.476 -5.721 1.00 0.00 H new ATOM 0 HA GLU A 47 11.850 0.190 -8.452 1.00 0.00 H new ATOM 0 HB2 GLU A 47 11.318 -1.746 -6.922 1.00 0.00 H new ATOM 0 HB3 GLU A 47 9.634 -1.261 -6.953 1.00 0.00 H new ATOM 0 HG2 GLU A 47 9.522 -1.645 -9.370 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.236 -2.006 -9.425 1.00 0.00 H new ATOM 717 N ASN A 48 8.970 1.561 -7.722 1.00 0.00 N ATOM 718 CA ASN A 48 7.826 2.270 -8.285 1.00 0.00 C ATOM 719 C ASN A 48 7.466 3.463 -7.420 1.00 0.00 C ATOM 720 O ASN A 48 6.740 3.322 -6.445 1.00 0.00 O ATOM 721 CB ASN A 48 6.614 1.340 -8.396 1.00 0.00 C ATOM 722 CG ASN A 48 5.461 1.981 -9.148 1.00 0.00 C ATOM 723 OD1 ASN A 48 5.370 1.881 -10.374 1.00 0.00 O ATOM 724 ND2 ASN A 48 4.569 2.636 -8.423 1.00 0.00 N ATOM 0 H ASN A 48 9.021 1.581 -6.703 1.00 0.00 H new ATOM 0 HA ASN A 48 8.102 2.616 -9.281 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.909 0.421 -8.903 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.282 1.060 -7.397 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.771 3.081 -8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.680 2.696 -7.411 1.00 0.00 H new ATOM 731 N GLU A 49 7.993 4.625 -7.768 1.00 0.00 N ATOM 732 CA GLU A 49 7.757 5.837 -6.988 1.00 0.00 C ATOM 733 C GLU A 49 6.298 6.295 -7.094 1.00 0.00 C ATOM 734 O GLU A 49 5.745 6.423 -8.194 1.00 0.00 O ATOM 735 CB GLU A 49 8.702 6.947 -7.449 1.00 0.00 C ATOM 736 CG GLU A 49 8.482 7.349 -8.890 1.00 0.00 C ATOM 737 CD GLU A 49 9.532 8.302 -9.414 1.00 0.00 C ATOM 738 OE1 GLU A 49 9.641 9.428 -8.887 1.00 0.00 O ATOM 739 OE2 GLU A 49 10.243 7.934 -10.372 1.00 0.00 O ATOM 0 H GLU A 49 8.588 4.759 -8.586 1.00 0.00 H new ATOM 0 HA GLU A 49 7.956 5.611 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.568 7.820 -6.810 1.00 0.00 H new ATOM 0 HB3 GLU A 49 9.733 6.615 -7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.472 6.454 -9.512 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.501 7.814 -8.984 1.00 0.00 H new ATOM 746 N LEU A 50 5.667 6.507 -5.947 1.00 0.00 N ATOM 747 CA LEU A 50 4.314 7.040 -5.912 1.00 0.00 C ATOM 748 C LEU A 50 4.345 8.563 -5.916 1.00 0.00 C ATOM 749 O LEU A 50 5.150 9.181 -5.216 1.00 0.00 O ATOM 750 CB LEU A 50 3.559 6.535 -4.680 1.00 0.00 C ATOM 751 CG LEU A 50 3.359 5.021 -4.616 1.00 0.00 C ATOM 752 CD1 LEU A 50 2.537 4.645 -3.394 1.00 0.00 C ATOM 753 CD2 LEU A 50 2.693 4.514 -5.887 1.00 0.00 C ATOM 0 H LEU A 50 6.071 6.318 -5.030 1.00 0.00 H new ATOM 0 HA LEU A 50 3.791 6.693 -6.803 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.098 6.852 -3.788 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.582 7.016 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 50 4.337 4.548 -4.532 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.404 3.564 -3.364 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.055 4.972 -2.492 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.562 5.129 -3.448 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.559 3.434 -5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 50 1.721 4.993 -6.005 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.321 4.751 -6.746 1.00 0.00 H new ATOM 765 N THR A 51 3.473 9.165 -6.710 1.00 0.00 N ATOM 766 CA THR A 51 3.427 10.614 -6.827 1.00 0.00 C ATOM 767 C THR A 51 2.461 11.207 -5.808 1.00 0.00 C ATOM 768 O THR A 51 1.567 10.515 -5.321 1.00 0.00 O ATOM 769 CB THR A 51 2.991 11.044 -8.239 1.00 0.00 C ATOM 770 OG1 THR A 51 1.672 10.558 -8.511 1.00 0.00 O ATOM 771 CG2 THR A 51 3.960 10.521 -9.290 1.00 0.00 C ATOM 0 H THR A 51 2.788 8.673 -7.283 1.00 0.00 H new ATOM 0 HA THR A 51 4.433 10.987 -6.636 1.00 0.00 H new ATOM 0 HB THR A 51 2.993 12.133 -8.281 1.00 0.00 H new ATOM 0 HG1 THR A 51 1.723 9.629 -8.819 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.630 10.838 -10.279 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.957 10.917 -9.095 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.988 9.432 -9.249 1.00 0.00 H new ATOM 779 N GLU A 52 2.636 12.486 -5.499 1.00 0.00 N ATOM 780 CA GLU A 52 1.764 13.179 -4.556 1.00 0.00 C ATOM 781 C GLU A 52 0.315 13.148 -5.041 1.00 0.00 C ATOM 782 O GLU A 52 -0.613 13.052 -4.241 1.00 0.00 O ATOM 783 CB GLU A 52 2.226 14.630 -4.371 1.00 0.00 C ATOM 784 CG GLU A 52 1.469 15.387 -3.289 1.00 0.00 C ATOM 785 CD GLU A 52 1.725 14.842 -1.897 1.00 0.00 C ATOM 786 OE1 GLU A 52 2.840 15.052 -1.377 1.00 0.00 O ATOM 787 OE2 GLU A 52 0.814 14.208 -1.316 1.00 0.00 O ATOM 0 H GLU A 52 3.377 13.068 -5.889 1.00 0.00 H new ATOM 0 HA GLU A 52 1.820 12.666 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.288 14.634 -4.127 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.114 15.160 -5.317 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.755 16.438 -3.320 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.401 15.341 -3.501 1.00 0.00 H new ATOM 794 N LYS A 53 0.124 13.219 -6.356 1.00 0.00 N ATOM 795 CA LYS A 53 -1.216 13.168 -6.932 1.00 0.00 C ATOM 796 C LYS A 53 -1.840 11.784 -6.742 1.00 0.00 C ATOM 797 O LYS A 53 -3.048 11.665 -6.535 1.00 0.00 O ATOM 798 CB LYS A 53 -1.191 13.560 -8.415 1.00 0.00 C ATOM 799 CG LYS A 53 -0.297 12.681 -9.275 1.00 0.00 C ATOM 800 CD LYS A 53 -0.219 13.178 -10.710 1.00 0.00 C ATOM 801 CE LYS A 53 0.404 14.562 -10.792 1.00 0.00 C ATOM 802 NZ LYS A 53 0.527 15.036 -12.196 1.00 0.00 N ATOM 0 H LYS A 53 0.876 13.311 -7.039 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.837 13.892 -6.404 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.207 13.520 -8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -0.857 14.594 -8.501 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.705 12.653 -8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.676 11.659 -9.265 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.368 12.479 -11.306 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -1.220 13.203 -11.141 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -0.203 15.267 -10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 53 1.390 14.544 -10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.956 15.983 -12.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.127 14.378 -12.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.416 15.079 -12.632 1.00 0.00 H new ATOM 816 N ASP A 54 -1.016 10.738 -6.800 1.00 0.00 N ATOM 817 CA ASP A 54 -1.488 9.382 -6.506 1.00 0.00 C ATOM 818 C ASP A 54 -1.929 9.289 -5.056 1.00 0.00 C ATOM 819 O ASP A 54 -2.980 8.730 -4.744 1.00 0.00 O ATOM 820 CB ASP A 54 -0.398 8.333 -6.765 1.00 0.00 C ATOM 821 CG ASP A 54 -0.307 7.889 -8.212 1.00 0.00 C ATOM 822 OD1 ASP A 54 -1.237 7.206 -8.694 1.00 0.00 O ATOM 823 OD2 ASP A 54 0.717 8.178 -8.866 1.00 0.00 O ATOM 0 H ASP A 54 -0.028 10.800 -7.045 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.328 9.178 -7.169 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.565 8.740 -6.459 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.589 7.462 -6.139 1.00 0.00 H new ATOM 828 N VAL A 55 -1.118 9.868 -4.188 1.00 0.00 N ATOM 829 CA VAL A 55 -1.347 9.812 -2.755 1.00 0.00 C ATOM 830 C VAL A 55 -2.542 10.682 -2.352 1.00 0.00 C ATOM 831 O VAL A 55 -3.246 10.377 -1.391 1.00 0.00 O ATOM 832 CB VAL A 55 -0.081 10.260 -1.989 1.00 0.00 C ATOM 833 CG1 VAL A 55 -0.235 10.012 -0.504 1.00 0.00 C ATOM 834 CG2 VAL A 55 1.155 9.543 -2.515 1.00 0.00 C ATOM 0 H VAL A 55 -0.283 10.389 -4.456 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.574 8.779 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 55 0.045 11.330 -2.151 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.668 10.335 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -1.090 10.574 -0.128 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -0.394 8.948 -0.327 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.032 9.875 -1.960 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.032 8.467 -2.390 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.286 9.772 -3.572 1.00 0.00 H new ATOM 844 N ASN A 56 -2.761 11.763 -3.092 1.00 0.00 N ATOM 845 CA ASN A 56 -3.868 12.676 -2.813 1.00 0.00 C ATOM 846 C ASN A 56 -5.206 12.089 -3.236 1.00 0.00 C ATOM 847 O ASN A 56 -6.173 12.114 -2.471 1.00 0.00 O ATOM 848 CB ASN A 56 -3.655 14.014 -3.521 1.00 0.00 C ATOM 849 CG ASN A 56 -3.063 15.063 -2.604 1.00 0.00 C ATOM 850 OD1 ASN A 56 -3.790 15.816 -1.956 1.00 0.00 O ATOM 851 ND2 ASN A 56 -1.745 15.119 -2.539 1.00 0.00 N ATOM 0 H ASN A 56 -2.187 12.031 -3.891 1.00 0.00 H new ATOM 0 HA ASN A 56 -3.888 12.832 -1.734 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -2.995 13.869 -4.376 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -4.608 14.372 -3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.293 15.805 -1.935 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -1.179 14.476 -3.093 1.00 0.00 H new ATOM 858 N ILE A 57 -5.266 11.573 -4.458 1.00 0.00 N ATOM 859 CA ILE A 57 -6.504 11.011 -4.982 1.00 0.00 C ATOM 860 C ILE A 57 -6.845 9.713 -4.258 1.00 0.00 C ATOM 861 O ILE A 57 -8.016 9.354 -4.122 1.00 0.00 O ATOM 862 CB ILE A 57 -6.419 10.769 -6.507 1.00 0.00 C ATOM 863 CG1 ILE A 57 -6.078 12.075 -7.232 1.00 0.00 C ATOM 864 CG2 ILE A 57 -7.727 10.192 -7.043 1.00 0.00 C ATOM 865 CD1 ILE A 57 -7.081 13.187 -7.000 1.00 0.00 C ATOM 0 H ILE A 57 -4.476 11.532 -5.102 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.298 11.736 -4.805 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.627 10.044 -6.693 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.094 12.413 -6.907 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.010 11.878 -8.302 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.640 10.031 -8.118 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.935 9.243 -6.550 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.541 10.890 -6.845 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.770 14.078 -7.546 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -8.063 12.870 -7.352 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -7.133 13.414 -5.935 1.00 0.00 H new ATOM 877 N GLY A 58 -5.817 9.012 -3.798 1.00 0.00 N ATOM 878 CA GLY A 58 -6.026 7.851 -2.961 1.00 0.00 C ATOM 879 C GLY A 58 -6.664 8.218 -1.635 1.00 0.00 C ATOM 880 O GLY A 58 -6.334 9.246 -1.043 1.00 0.00 O ATOM 0 H GLY A 58 -4.839 9.229 -3.992 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.661 7.136 -3.484 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.071 7.357 -2.780 1.00 0.00 H new ATOM 884 N GLU A 59 -7.582 7.385 -1.173 1.00 0.00 N ATOM 885 CA GLU A 59 -8.284 7.648 0.075 1.00 0.00 C ATOM 886 C GLU A 59 -7.498 7.097 1.254 1.00 0.00 C ATOM 887 O GLU A 59 -7.310 7.774 2.265 1.00 0.00 O ATOM 888 CB GLU A 59 -9.674 7.013 0.055 1.00 0.00 C ATOM 889 CG GLU A 59 -10.557 7.485 -1.086 1.00 0.00 C ATOM 890 CD GLU A 59 -10.796 8.979 -1.072 1.00 0.00 C ATOM 891 OE1 GLU A 59 -11.346 9.491 -0.078 1.00 0.00 O ATOM 892 OE2 GLU A 59 -10.469 9.643 -2.077 1.00 0.00 O ATOM 0 H GLU A 59 -7.859 6.522 -1.641 1.00 0.00 H new ATOM 0 HA GLU A 59 -8.385 8.728 0.182 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -9.566 5.930 -0.008 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -10.173 7.229 0.999 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.096 7.206 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.516 6.969 -1.033 1.00 0.00 H new ATOM 899 N VAL A 60 -7.035 5.865 1.111 1.00 0.00 N ATOM 900 CA VAL A 60 -6.329 5.184 2.183 1.00 0.00 C ATOM 901 C VAL A 60 -4.975 4.680 1.710 1.00 0.00 C ATOM 902 O VAL A 60 -4.797 4.341 0.537 1.00 0.00 O ATOM 903 CB VAL A 60 -7.144 4.001 2.748 1.00 0.00 C ATOM 904 CG1 VAL A 60 -8.333 4.502 3.548 1.00 0.00 C ATOM 905 CG2 VAL A 60 -7.609 3.083 1.628 1.00 0.00 C ATOM 0 H VAL A 60 -7.137 5.315 0.258 1.00 0.00 H new ATOM 0 HA VAL A 60 -6.186 5.916 2.978 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.495 3.431 3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -8.894 3.652 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.981 5.115 4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -8.979 5.099 2.904 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -8.181 2.256 2.049 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -8.237 3.643 0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.742 2.690 1.096 1.00 0.00 H new ATOM 915 N VAL A 61 -4.026 4.651 2.628 1.00 0.00 N ATOM 916 CA VAL A 61 -2.685 4.187 2.336 1.00 0.00 C ATOM 917 C VAL A 61 -2.405 2.880 3.067 1.00 0.00 C ATOM 918 O VAL A 61 -2.828 2.698 4.202 1.00 0.00 O ATOM 919 CB VAL A 61 -1.635 5.227 2.771 1.00 0.00 C ATOM 920 CG1 VAL A 61 -0.239 4.788 2.360 1.00 0.00 C ATOM 921 CG2 VAL A 61 -1.967 6.607 2.211 1.00 0.00 C ATOM 0 H VAL A 61 -4.164 4.948 3.594 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.618 4.033 1.259 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.658 5.297 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.486 5.537 2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.004 3.834 2.831 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.196 4.678 1.276 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.210 7.322 2.533 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.985 6.563 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.944 6.923 2.577 1.00 0.00 H new ATOM 931 N ILE A 62 -1.703 1.972 2.415 1.00 0.00 N ATOM 932 CA ILE A 62 -1.276 0.739 3.056 1.00 0.00 C ATOM 933 C ILE A 62 0.239 0.717 3.192 1.00 0.00 C ATOM 934 O ILE A 62 0.961 1.008 2.239 1.00 0.00 O ATOM 935 CB ILE A 62 -1.742 -0.511 2.263 1.00 0.00 C ATOM 936 CG1 ILE A 62 -3.260 -0.680 2.370 1.00 0.00 C ATOM 937 CG2 ILE A 62 -1.031 -1.770 2.751 1.00 0.00 C ATOM 938 CD1 ILE A 62 -3.735 -0.992 3.774 1.00 0.00 C ATOM 0 H ILE A 62 -1.415 2.064 1.441 1.00 0.00 H new ATOM 0 HA ILE A 62 -1.736 0.707 4.044 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.480 -0.360 1.216 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -3.745 0.234 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -3.577 -1.480 1.701 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -1.378 -2.629 2.177 1.00 0.00 H new ATOM 0 HG22 ILE A 62 0.045 -1.655 2.618 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -1.251 -1.926 3.807 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -4.820 -1.099 3.776 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.278 -1.921 4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.449 -0.181 4.444 1.00 0.00 H new ATOM 950 N PHE A 63 0.716 0.391 4.380 1.00 0.00 N ATOM 951 CA PHE A 63 2.142 0.268 4.609 1.00 0.00 C ATOM 952 C PHE A 63 2.508 -1.136 5.045 1.00 0.00 C ATOM 953 O PHE A 63 2.260 -1.528 6.179 1.00 0.00 O ATOM 954 CB PHE A 63 2.625 1.270 5.654 1.00 0.00 C ATOM 955 CG PHE A 63 2.937 2.622 5.091 1.00 0.00 C ATOM 956 CD1 PHE A 63 4.026 2.793 4.252 1.00 0.00 C ATOM 957 CD2 PHE A 63 2.146 3.716 5.392 1.00 0.00 C ATOM 958 CE1 PHE A 63 4.323 4.034 3.728 1.00 0.00 C ATOM 959 CE2 PHE A 63 2.440 4.959 4.870 1.00 0.00 C ATOM 960 CZ PHE A 63 3.529 5.116 4.036 1.00 0.00 C ATOM 0 H PHE A 63 0.137 0.207 5.199 1.00 0.00 H new ATOM 0 HA PHE A 63 2.637 0.483 3.662 1.00 0.00 H new ATOM 0 HB2 PHE A 63 1.861 1.374 6.425 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.517 0.874 6.140 1.00 0.00 H new ATOM 0 HD1 PHE A 63 4.649 1.946 4.006 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.291 3.596 6.041 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.176 4.157 3.078 1.00 0.00 H new ATOM 0 HE2 PHE A 63 1.819 5.808 5.114 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.758 6.088 3.625 1.00 0.00 H new ATOM 970 N ALA A 64 3.076 -1.893 4.130 1.00 0.00 N ATOM 971 CA ALA A 64 3.622 -3.194 4.456 1.00 0.00 C ATOM 972 C ALA A 64 5.136 -3.096 4.422 1.00 0.00 C ATOM 973 O ALA A 64 5.759 -3.266 3.371 1.00 0.00 O ATOM 974 CB ALA A 64 3.120 -4.251 3.481 1.00 0.00 C ATOM 0 H ALA A 64 3.172 -1.628 3.150 1.00 0.00 H new ATOM 0 HA ALA A 64 3.296 -3.496 5.451 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.543 -5.220 3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 64 2.032 -4.304 3.530 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.425 -3.986 2.469 1.00 0.00 H new ATOM 980 N VAL A 65 5.730 -2.784 5.562 1.00 0.00 N ATOM 981 CA VAL A 65 7.144 -2.457 5.596 1.00 0.00 C ATOM 982 C VAL A 65 7.872 -3.117 6.758 1.00 0.00 C ATOM 983 O VAL A 65 7.270 -3.508 7.761 1.00 0.00 O ATOM 984 CB VAL A 65 7.377 -0.928 5.675 1.00 0.00 C ATOM 985 CG1 VAL A 65 6.765 -0.215 4.479 1.00 0.00 C ATOM 986 CG2 VAL A 65 6.826 -0.361 6.976 1.00 0.00 C ATOM 0 H VAL A 65 5.260 -2.751 6.467 1.00 0.00 H new ATOM 0 HA VAL A 65 7.551 -2.845 4.662 1.00 0.00 H new ATOM 0 HB VAL A 65 8.453 -0.756 5.655 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.945 0.857 4.563 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.219 -0.588 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.691 -0.402 4.454 1.00 0.00 H new ATOM 0 HG21 VAL A 65 7.002 0.714 7.008 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.755 -0.555 7.033 1.00 0.00 H new ATOM 0 HG23 VAL A 65 7.326 -0.835 7.820 1.00 0.00 H new ATOM 996 N ASP A 66 9.174 -3.248 6.577 1.00 0.00 N ATOM 997 CA ASP A 66 10.095 -3.669 7.619 1.00 0.00 C ATOM 998 C ASP A 66 11.231 -2.658 7.699 1.00 0.00 C ATOM 999 O ASP A 66 11.822 -2.440 8.756 1.00 0.00 O ATOM 1000 CB ASP A 66 10.625 -5.085 7.329 1.00 0.00 C ATOM 1001 CG ASP A 66 12.141 -5.214 7.416 1.00 0.00 C ATOM 1002 OD1 ASP A 66 12.682 -5.275 8.538 1.00 0.00 O ATOM 1003 OD2 ASP A 66 12.799 -5.300 6.353 1.00 0.00 O ATOM 0 H ASP A 66 9.630 -3.061 5.684 1.00 0.00 H new ATOM 0 HA ASP A 66 9.581 -3.707 8.579 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.171 -5.782 8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.303 -5.384 6.332 1.00 0.00 H new ATOM 1008 N THR A 67 11.502 -2.015 6.572 1.00 0.00 N ATOM 1009 CA THR A 67 12.551 -1.019 6.497 1.00 0.00 C ATOM 1010 C THR A 67 11.971 0.370 6.237 1.00 0.00 C ATOM 1011 O THR A 67 10.763 0.590 6.377 1.00 0.00 O ATOM 1012 CB THR A 67 13.580 -1.382 5.407 1.00 0.00 C ATOM 1013 OG1 THR A 67 12.910 -1.814 4.218 1.00 0.00 O ATOM 1014 CG2 THR A 67 14.515 -2.476 5.898 1.00 0.00 C ATOM 0 H THR A 67 11.005 -2.169 5.695 1.00 0.00 H new ATOM 0 HA THR A 67 13.061 -1.003 7.460 1.00 0.00 H new ATOM 0 HB THR A 67 14.169 -0.493 5.182 1.00 0.00 H new ATOM 0 HG1 THR A 67 13.514 -1.725 3.451 1.00 0.00 H new ATOM 0 HG21 THR A 67 15.234 -2.719 5.115 1.00 0.00 H new ATOM 0 HG22 THR A 67 15.047 -2.130 6.784 1.00 0.00 H new ATOM 0 HG23 THR A 67 13.936 -3.365 6.147 1.00 0.00 H new ATOM 1022 N LYS A 68 12.837 1.297 5.867 1.00 0.00 N ATOM 1023 CA LYS A 68 12.468 2.696 5.731 1.00 0.00 C ATOM 1024 C LYS A 68 11.930 3.015 4.338 1.00 0.00 C ATOM 1025 O LYS A 68 12.483 2.579 3.326 1.00 0.00 O ATOM 1026 CB LYS A 68 13.691 3.561 6.037 1.00 0.00 C ATOM 1027 CG LYS A 68 13.518 5.039 5.732 1.00 0.00 C ATOM 1028 CD LYS A 68 14.806 5.791 6.006 1.00 0.00 C ATOM 1029 CE LYS A 68 14.739 7.238 5.554 1.00 0.00 C ATOM 1030 NZ LYS A 68 16.009 7.949 5.846 1.00 0.00 N ATOM 0 H LYS A 68 13.815 1.102 5.652 1.00 0.00 H new ATOM 0 HA LYS A 68 11.666 2.911 6.438 1.00 0.00 H new ATOM 0 HB2 LYS A 68 13.943 3.449 7.092 1.00 0.00 H new ATOM 0 HB3 LYS A 68 14.538 3.183 5.465 1.00 0.00 H new ATOM 0 HG2 LYS A 68 13.228 5.170 4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 68 12.713 5.450 6.341 1.00 0.00 H new ATOM 0 HD2 LYS A 68 15.023 5.756 7.074 1.00 0.00 H new ATOM 0 HD3 LYS A 68 15.630 5.292 5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 68 14.534 7.279 4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 68 13.913 7.741 6.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 15.936 8.936 5.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 16.191 7.929 6.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 16.792 7.481 5.346 1.00 0.00 H new ATOM 1044 N VAL A 69 10.849 3.781 4.308 1.00 0.00 N ATOM 1045 CA VAL A 69 10.273 4.285 3.070 1.00 0.00 C ATOM 1046 C VAL A 69 10.371 5.810 3.051 1.00 0.00 C ATOM 1047 O VAL A 69 9.967 6.478 4.002 1.00 0.00 O ATOM 1048 CB VAL A 69 8.802 3.825 2.899 1.00 0.00 C ATOM 1049 CG1 VAL A 69 8.067 3.839 4.229 1.00 0.00 C ATOM 1050 CG2 VAL A 69 8.066 4.693 1.891 1.00 0.00 C ATOM 0 H VAL A 69 10.345 4.072 5.146 1.00 0.00 H new ATOM 0 HA VAL A 69 10.836 3.876 2.231 1.00 0.00 H new ATOM 0 HB VAL A 69 8.824 2.802 2.523 1.00 0.00 H new ATOM 0 HG11 VAL A 69 7.038 3.512 4.079 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.564 3.165 4.927 1.00 0.00 H new ATOM 0 HG13 VAL A 69 8.071 4.850 4.636 1.00 0.00 H new ATOM 0 HG21 VAL A 69 7.038 4.345 1.794 1.00 0.00 H new ATOM 0 HG22 VAL A 69 8.068 5.728 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 69 8.564 4.629 0.923 1.00 0.00 H new ATOM 1060 N ARG A 70 10.902 6.357 1.964 1.00 0.00 N ATOM 1061 CA ARG A 70 11.241 7.773 1.911 1.00 0.00 C ATOM 1062 C ARG A 70 10.028 8.603 1.509 1.00 0.00 C ATOM 1063 O ARG A 70 9.937 9.792 1.816 1.00 0.00 O ATOM 1064 CB ARG A 70 12.401 8.015 0.933 1.00 0.00 C ATOM 1065 CG ARG A 70 11.974 8.347 -0.489 1.00 0.00 C ATOM 1066 CD ARG A 70 12.547 9.684 -0.931 1.00 0.00 C ATOM 1067 NE ARG A 70 12.168 10.768 -0.021 1.00 0.00 N ATOM 1068 CZ ARG A 70 12.980 11.765 0.334 1.00 0.00 C ATOM 1069 NH1 ARG A 70 14.217 11.827 -0.141 1.00 0.00 N ATOM 1070 NH2 ARG A 70 12.560 12.697 1.177 1.00 0.00 N ATOM 0 H ARG A 70 11.107 5.841 1.108 1.00 0.00 H new ATOM 0 HA ARG A 70 11.557 8.084 2.907 1.00 0.00 H new ATOM 0 HB2 ARG A 70 13.015 8.831 1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.031 7.126 0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 70 12.310 7.562 -1.166 1.00 0.00 H new ATOM 0 HG3 ARG A 70 10.886 8.376 -0.549 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.634 9.615 -0.981 1.00 0.00 H new ATOM 0 HD3 ARG A 70 12.196 9.915 -1.937 1.00 0.00 H new ATOM 0 HE ARG A 70 11.224 10.760 0.365 1.00 0.00 H new ATOM 0 HH11 ARG A 70 14.554 11.109 -0.783 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.832 12.593 0.135 1.00 0.00 H new ATOM 0 HH21 ARG A 70 11.614 12.653 1.556 1.00 0.00 H new ATOM 0 HH22 ARG A 70 13.183 13.458 1.447 1.00 0.00 H new ATOM 1084 N ASN A 71 9.097 7.973 0.814 1.00 0.00 N ATOM 1085 CA ASN A 71 7.903 8.659 0.357 1.00 0.00 C ATOM 1086 C ASN A 71 6.857 8.724 1.448 1.00 0.00 C ATOM 1087 O ASN A 71 5.831 9.376 1.274 1.00 0.00 O ATOM 1088 CB ASN A 71 7.341 8.019 -0.911 1.00 0.00 C ATOM 1089 CG ASN A 71 8.173 8.391 -2.120 1.00 0.00 C ATOM 1090 OD1 ASN A 71 8.729 9.489 -2.186 1.00 0.00 O ATOM 1091 ND2 ASN A 71 8.280 7.492 -3.076 1.00 0.00 N ATOM 0 H ASN A 71 9.146 6.988 0.554 1.00 0.00 H new ATOM 0 HA ASN A 71 8.188 9.681 0.109 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.322 6.935 -0.798 1.00 0.00 H new ATOM 0 HB3 ASN A 71 6.311 8.342 -1.060 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.838 7.694 -3.906 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.805 6.594 -2.987 1.00 0.00 H new ATOM 1098 N LYS A 72 7.131 8.059 2.576 1.00 0.00 N ATOM 1099 CA LYS A 72 6.213 8.038 3.716 1.00 0.00 C ATOM 1100 C LYS A 72 5.755 9.452 4.080 1.00 0.00 C ATOM 1101 O LYS A 72 4.650 9.640 4.583 1.00 0.00 O ATOM 1102 CB LYS A 72 6.866 7.375 4.937 1.00 0.00 C ATOM 1103 CG LYS A 72 5.898 7.177 6.097 1.00 0.00 C ATOM 1104 CD LYS A 72 6.571 6.592 7.333 1.00 0.00 C ATOM 1105 CE LYS A 72 6.971 5.141 7.124 1.00 0.00 C ATOM 1106 NZ LYS A 72 7.509 4.527 8.366 1.00 0.00 N ATOM 0 H LYS A 72 7.988 7.525 2.722 1.00 0.00 H new ATOM 0 HA LYS A 72 5.342 7.452 3.422 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.275 6.408 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 72 7.704 7.987 5.271 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.445 8.135 6.354 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.090 6.517 5.782 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.455 7.181 7.579 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.894 6.663 8.184 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.106 4.572 6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.722 5.082 6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.770 3.538 8.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.350 5.054 8.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.784 4.560 9.111 1.00 0.00 H new ATOM 1120 N GLU A 73 6.610 10.439 3.801 1.00 0.00 N ATOM 1121 CA GLU A 73 6.283 11.849 4.042 1.00 0.00 C ATOM 1122 C GLU A 73 4.958 12.242 3.390 1.00 0.00 C ATOM 1123 O GLU A 73 4.188 13.016 3.950 1.00 0.00 O ATOM 1124 CB GLU A 73 7.380 12.757 3.496 1.00 0.00 C ATOM 1125 CG GLU A 73 8.768 12.452 4.020 1.00 0.00 C ATOM 1126 CD GLU A 73 9.807 13.357 3.403 1.00 0.00 C ATOM 1127 OE1 GLU A 73 10.228 13.084 2.258 1.00 0.00 O ATOM 1128 OE2 GLU A 73 10.186 14.359 4.045 1.00 0.00 O ATOM 0 H GLU A 73 7.538 10.288 3.406 1.00 0.00 H new ATOM 0 HA GLU A 73 6.198 11.972 5.122 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.391 12.679 2.409 1.00 0.00 H new ATOM 0 HB3 GLU A 73 7.133 13.790 3.739 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.782 12.567 5.104 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.018 11.413 3.807 1.00 0.00 H new ATOM 1135 N ARG A 74 4.699 11.706 2.203 1.00 0.00 N ATOM 1136 CA ARG A 74 3.466 11.998 1.481 1.00 0.00 C ATOM 1137 C ARG A 74 2.262 11.515 2.269 1.00 0.00 C ATOM 1138 O ARG A 74 1.287 12.238 2.452 1.00 0.00 O ATOM 1139 CB ARG A 74 3.470 11.330 0.103 1.00 0.00 C ATOM 1140 CG ARG A 74 3.972 12.229 -1.013 1.00 0.00 C ATOM 1141 CD ARG A 74 5.274 11.733 -1.624 1.00 0.00 C ATOM 1142 NE ARG A 74 6.330 11.536 -0.630 1.00 0.00 N ATOM 1143 CZ ARG A 74 7.334 12.392 -0.425 1.00 0.00 C ATOM 1144 NH1 ARG A 74 7.365 13.555 -1.060 1.00 0.00 N ATOM 1145 NH2 ARG A 74 8.301 12.090 0.432 1.00 0.00 N ATOM 0 H ARG A 74 5.328 11.065 1.719 1.00 0.00 H new ATOM 0 HA ARG A 74 3.404 13.079 1.352 1.00 0.00 H new ATOM 0 HB2 ARG A 74 4.093 10.436 0.145 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.458 11.003 -0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.212 12.295 -1.791 1.00 0.00 H new ATOM 0 HG3 ARG A 74 4.118 13.237 -0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 74 5.091 10.792 -2.143 1.00 0.00 H new ATOM 0 HD3 ARG A 74 5.615 12.449 -2.372 1.00 0.00 H new ATOM 0 HE ARG A 74 6.297 10.692 -0.058 1.00 0.00 H new ATOM 0 HH11 ARG A 74 6.619 13.801 -1.710 1.00 0.00 H new ATOM 0 HH12 ARG A 74 8.135 14.204 -0.898 1.00 0.00 H new ATOM 0 HH21 ARG A 74 8.278 11.203 0.935 1.00 0.00 H new ATOM 0 HH22 ARG A 74 9.067 12.745 0.588 1.00 0.00 H new ATOM 1159 N PHE A 75 2.359 10.298 2.764 1.00 0.00 N ATOM 1160 CA PHE A 75 1.251 9.649 3.433 1.00 0.00 C ATOM 1161 C PHE A 75 1.178 10.077 4.899 1.00 0.00 C ATOM 1162 O PHE A 75 0.287 9.650 5.633 1.00 0.00 O ATOM 1163 CB PHE A 75 1.420 8.135 3.336 1.00 0.00 C ATOM 1164 CG PHE A 75 1.945 7.666 1.999 1.00 0.00 C ATOM 1165 CD1 PHE A 75 1.087 7.376 0.957 1.00 0.00 C ATOM 1166 CD2 PHE A 75 3.306 7.514 1.793 1.00 0.00 C ATOM 1167 CE1 PHE A 75 1.573 6.948 -0.264 1.00 0.00 C ATOM 1168 CE2 PHE A 75 3.799 7.087 0.576 1.00 0.00 C ATOM 1169 CZ PHE A 75 2.931 6.803 -0.455 1.00 0.00 C ATOM 0 H PHE A 75 3.206 9.732 2.714 1.00 0.00 H new ATOM 0 HA PHE A 75 0.321 9.945 2.947 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.101 7.803 4.120 1.00 0.00 H new ATOM 0 HB3 PHE A 75 0.458 7.658 3.526 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.022 7.485 1.098 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.993 7.733 2.597 1.00 0.00 H new ATOM 0 HE1 PHE A 75 0.888 6.727 -1.069 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.864 6.976 0.433 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.312 6.468 -1.408 1.00 0.00 H new ATOM 1179 N ASP A 76 2.112 10.933 5.306 1.00 0.00 N ATOM 1180 CA ASP A 76 2.196 11.415 6.685 1.00 0.00 C ATOM 1181 C ASP A 76 0.922 12.157 7.080 1.00 0.00 C ATOM 1182 O ASP A 76 0.347 11.908 8.141 1.00 0.00 O ATOM 1183 CB ASP A 76 3.413 12.333 6.842 1.00 0.00 C ATOM 1184 CG ASP A 76 3.543 12.920 8.233 1.00 0.00 C ATOM 1185 OD1 ASP A 76 2.888 13.942 8.514 1.00 0.00 O ATOM 1186 OD2 ASP A 76 4.322 12.374 9.041 1.00 0.00 O ATOM 0 H ASP A 76 2.832 11.313 4.691 1.00 0.00 H new ATOM 0 HA ASP A 76 2.307 10.555 7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 76 4.317 11.771 6.606 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.344 13.144 6.117 1.00 0.00 H new ATOM 1191 N GLY A 77 0.477 13.051 6.211 1.00 0.00 N ATOM 1192 CA GLY A 77 -0.736 13.802 6.469 1.00 0.00 C ATOM 1193 C GLY A 77 -1.979 13.093 5.962 1.00 0.00 C ATOM 1194 O GLY A 77 -3.081 13.637 6.030 1.00 0.00 O ATOM 0 H GLY A 77 0.936 13.272 5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.832 13.974 7.541 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.661 14.781 5.995 1.00 0.00 H new ATOM 1198 N LYS A 78 -1.806 11.883 5.451 1.00 0.00 N ATOM 1199 CA LYS A 78 -2.928 11.106 4.938 1.00 0.00 C ATOM 1200 C LYS A 78 -3.290 9.973 5.896 1.00 0.00 C ATOM 1201 O LYS A 78 -2.700 9.841 6.968 1.00 0.00 O ATOM 1202 CB LYS A 78 -2.615 10.550 3.541 1.00 0.00 C ATOM 1203 CG LYS A 78 -3.108 11.438 2.402 1.00 0.00 C ATOM 1204 CD LYS A 78 -2.332 12.743 2.295 1.00 0.00 C ATOM 1205 CE LYS A 78 -1.328 12.698 1.154 1.00 0.00 C ATOM 1206 NZ LYS A 78 -0.657 14.010 0.943 1.00 0.00 N ATOM 0 H LYS A 78 -0.901 11.417 5.380 1.00 0.00 H new ATOM 0 HA LYS A 78 -3.787 11.772 4.857 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.537 10.417 3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -3.068 9.563 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.026 10.894 1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.165 11.660 2.551 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.026 13.569 2.139 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.811 12.937 3.233 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.576 11.937 1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.836 12.400 0.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -0.389 14.106 -0.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.308 14.779 1.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.195 14.064 1.537 1.00 0.00 H new ATOM 1220 N VAL A 79 -4.260 9.161 5.502 1.00 0.00 N ATOM 1221 CA VAL A 79 -4.748 8.075 6.349 1.00 0.00 C ATOM 1222 C VAL A 79 -4.131 6.755 5.913 1.00 0.00 C ATOM 1223 O VAL A 79 -4.340 6.311 4.785 1.00 0.00 O ATOM 1224 CB VAL A 79 -6.289 7.957 6.292 1.00 0.00 C ATOM 1225 CG1 VAL A 79 -6.785 6.879 7.246 1.00 0.00 C ATOM 1226 CG2 VAL A 79 -6.943 9.293 6.609 1.00 0.00 C ATOM 0 H VAL A 79 -4.728 9.232 4.598 1.00 0.00 H new ATOM 0 HA VAL A 79 -4.457 8.303 7.374 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.569 7.670 5.278 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -7.872 6.814 7.189 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -6.349 5.919 6.969 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -6.490 7.131 8.265 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.027 9.187 6.563 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -6.651 9.613 7.609 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -6.620 10.038 5.882 1.00 0.00 H new ATOM 1236 N VAL A 80 -3.369 6.124 6.797 1.00 0.00 N ATOM 1237 CA VAL A 80 -2.650 4.915 6.427 1.00 0.00 C ATOM 1238 C VAL A 80 -2.987 3.750 7.355 1.00 0.00 C ATOM 1239 O VAL A 80 -3.352 3.943 8.517 1.00 0.00 O ATOM 1240 CB VAL A 80 -1.115 5.136 6.425 1.00 0.00 C ATOM 1241 CG1 VAL A 80 -0.759 6.500 5.853 1.00 0.00 C ATOM 1242 CG2 VAL A 80 -0.524 4.966 7.817 1.00 0.00 C ATOM 0 H VAL A 80 -3.235 6.425 7.762 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.973 4.667 5.416 1.00 0.00 H new ATOM 0 HB VAL A 80 -0.678 4.372 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 80 0.323 6.628 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.123 6.571 4.828 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.222 7.280 6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 80 0.553 5.128 7.777 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.975 5.691 8.495 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.726 3.957 8.177 1.00 0.00 H new ATOM 1252 N LEU A 81 -2.880 2.550 6.818 1.00 0.00 N ATOM 1253 CA LEU A 81 -3.005 1.333 7.594 1.00 0.00 C ATOM 1254 C LEU A 81 -1.694 0.556 7.465 1.00 0.00 C ATOM 1255 O LEU A 81 -1.389 0.001 6.407 1.00 0.00 O ATOM 1256 CB LEU A 81 -4.207 0.512 7.091 1.00 0.00 C ATOM 1257 CG LEU A 81 -4.737 -0.578 8.036 1.00 0.00 C ATOM 1258 CD1 LEU A 81 -3.807 -1.777 8.073 1.00 0.00 C ATOM 1259 CD2 LEU A 81 -4.936 -0.017 9.436 1.00 0.00 C ATOM 0 H LEU A 81 -2.703 2.392 5.826 1.00 0.00 H new ATOM 0 HA LEU A 81 -3.186 1.556 8.645 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.023 1.201 6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.928 0.040 6.149 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.700 -0.914 7.652 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.210 -2.530 8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -3.718 -2.200 7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.823 -1.464 8.423 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.312 -0.802 10.092 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -3.984 0.352 9.819 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.655 0.802 9.401 1.00 0.00 H new ATOM 1271 N GLU A 82 -0.904 0.565 8.528 1.00 0.00 N ATOM 1272 CA GLU A 82 0.426 -0.029 8.501 1.00 0.00 C ATOM 1273 C GLU A 82 0.406 -1.433 9.100 1.00 0.00 C ATOM 1274 O GLU A 82 -0.165 -1.655 10.168 1.00 0.00 O ATOM 1275 CB GLU A 82 1.409 0.875 9.253 1.00 0.00 C ATOM 1276 CG GLU A 82 2.865 0.460 9.114 1.00 0.00 C ATOM 1277 CD GLU A 82 3.818 1.488 9.687 1.00 0.00 C ATOM 1278 OE1 GLU A 82 4.034 1.483 10.919 1.00 0.00 O ATOM 1279 OE2 GLU A 82 4.353 2.308 8.915 1.00 0.00 O ATOM 0 H GLU A 82 -1.161 0.979 9.424 1.00 0.00 H new ATOM 0 HA GLU A 82 0.753 -0.118 7.465 1.00 0.00 H new ATOM 0 HB2 GLU A 82 1.297 1.897 8.890 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.144 0.882 10.310 1.00 0.00 H new ATOM 0 HG2 GLU A 82 3.018 -0.494 9.619 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.096 0.303 8.060 1.00 0.00 H new ATOM 1286 N VAL A 83 1.020 -2.374 8.395 1.00 0.00 N ATOM 1287 CA VAL A 83 1.070 -3.770 8.815 1.00 0.00 C ATOM 1288 C VAL A 83 2.426 -4.381 8.464 1.00 0.00 C ATOM 1289 O VAL A 83 3.205 -3.784 7.720 1.00 0.00 O ATOM 1290 CB VAL A 83 -0.045 -4.615 8.146 1.00 0.00 C ATOM 1291 CG1 VAL A 83 -1.415 -4.246 8.691 1.00 0.00 C ATOM 1292 CG2 VAL A 83 -0.012 -4.455 6.632 1.00 0.00 C ATOM 0 H VAL A 83 1.499 -2.191 7.513 1.00 0.00 H new ATOM 0 HA VAL A 83 0.918 -3.784 9.894 1.00 0.00 H new ATOM 0 HB VAL A 83 0.143 -5.662 8.385 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.177 -4.855 8.203 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -1.440 -4.426 9.766 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.613 -3.192 8.495 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.803 -5.057 6.185 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.164 -3.407 6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 83 0.954 -4.786 6.252 1.00 0.00 H new ATOM 1302 N PRO A 84 2.738 -5.566 9.012 1.00 0.00 N ATOM 1303 CA PRO A 84 3.938 -6.319 8.630 1.00 0.00 C ATOM 1304 C PRO A 84 3.927 -6.663 7.141 1.00 0.00 C ATOM 1305 O PRO A 84 2.868 -6.902 6.559 1.00 0.00 O ATOM 1306 CB PRO A 84 3.857 -7.589 9.481 1.00 0.00 C ATOM 1307 CG PRO A 84 2.971 -7.228 10.620 1.00 0.00 C ATOM 1308 CD PRO A 84 1.973 -6.255 10.064 1.00 0.00 C ATOM 0 HA PRO A 84 4.855 -5.753 8.795 1.00 0.00 H new ATOM 0 HB2 PRO A 84 3.447 -8.422 8.910 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.843 -7.895 9.829 1.00 0.00 H new ATOM 0 HG2 PRO A 84 2.475 -8.110 11.025 1.00 0.00 H new ATOM 0 HG3 PRO A 84 3.542 -6.781 11.434 1.00 0.00 H new ATOM 0 HD2 PRO A 84 1.096 -6.762 9.660 1.00 0.00 H new ATOM 0 HD3 PRO A 84 1.618 -5.561 10.826 1.00 0.00 H new ATOM 1316 N VAL A 85 5.108 -6.698 6.536 1.00 0.00 N ATOM 1317 CA VAL A 85 5.233 -6.867 5.089 1.00 0.00 C ATOM 1318 C VAL A 85 4.664 -8.210 4.605 1.00 0.00 C ATOM 1319 O VAL A 85 4.144 -8.308 3.495 1.00 0.00 O ATOM 1320 CB VAL A 85 6.711 -6.715 4.642 1.00 0.00 C ATOM 1321 CG1 VAL A 85 7.582 -7.818 5.225 1.00 0.00 C ATOM 1322 CG2 VAL A 85 6.824 -6.679 3.124 1.00 0.00 C ATOM 0 H VAL A 85 5.998 -6.611 7.026 1.00 0.00 H new ATOM 0 HA VAL A 85 4.639 -6.078 4.627 1.00 0.00 H new ATOM 0 HB VAL A 85 7.075 -5.764 5.030 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.611 -7.683 4.893 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.543 -7.775 6.313 1.00 0.00 H new ATOM 0 HG13 VAL A 85 7.216 -8.788 4.887 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.871 -6.572 2.840 1.00 0.00 H new ATOM 0 HG22 VAL A 85 6.428 -7.605 2.708 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.254 -5.834 2.737 1.00 0.00 H new ATOM 1332 N SER A 86 4.750 -9.235 5.440 1.00 0.00 N ATOM 1333 CA SER A 86 4.275 -10.565 5.070 1.00 0.00 C ATOM 1334 C SER A 86 2.747 -10.664 5.103 1.00 0.00 C ATOM 1335 O SER A 86 2.168 -11.564 4.494 1.00 0.00 O ATOM 1336 CB SER A 86 4.892 -11.609 5.995 1.00 0.00 C ATOM 1337 OG SER A 86 6.299 -11.436 6.079 1.00 0.00 O ATOM 0 H SER A 86 5.144 -9.174 6.379 1.00 0.00 H new ATOM 0 HA SER A 86 4.587 -10.754 4.043 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.451 -11.528 6.988 1.00 0.00 H new ATOM 0 HB3 SER A 86 4.665 -12.609 5.626 1.00 0.00 H new ATOM 0 HG SER A 86 6.726 -11.840 5.295 1.00 0.00 H new ATOM 1343 N ALA A 87 2.097 -9.742 5.809 1.00 0.00 N ATOM 1344 CA ALA A 87 0.645 -9.795 5.996 1.00 0.00 C ATOM 1345 C ALA A 87 -0.130 -9.794 4.666 1.00 0.00 C ATOM 1346 O ALA A 87 -0.945 -10.688 4.431 1.00 0.00 O ATOM 1347 CB ALA A 87 0.176 -8.657 6.892 1.00 0.00 C ATOM 0 H ALA A 87 2.551 -8.948 6.262 1.00 0.00 H new ATOM 0 HA ALA A 87 0.427 -10.745 6.484 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -0.905 -8.715 7.018 1.00 0.00 H new ATOM 0 HB2 ALA A 87 0.659 -8.738 7.866 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.437 -7.703 6.435 1.00 0.00 H new ATOM 1353 N PRO A 88 0.102 -8.809 3.769 1.00 0.00 N ATOM 1354 CA PRO A 88 -0.641 -8.704 2.506 1.00 0.00 C ATOM 1355 C PRO A 88 -0.267 -9.780 1.487 1.00 0.00 C ATOM 1356 O PRO A 88 -0.756 -9.765 0.359 1.00 0.00 O ATOM 1357 CB PRO A 88 -0.263 -7.316 1.965 1.00 0.00 C ATOM 1358 CG PRO A 88 0.433 -6.626 3.087 1.00 0.00 C ATOM 1359 CD PRO A 88 1.068 -7.710 3.902 1.00 0.00 C ATOM 0 HA PRO A 88 -1.709 -8.841 2.676 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.385 -7.398 1.093 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -1.148 -6.762 1.653 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.182 -5.929 2.712 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.270 -6.047 3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.051 -7.984 3.519 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.203 -7.411 4.941 1.00 0.00 H new ATOM 1367 N ILE A 89 0.599 -10.709 1.879 1.00 0.00 N ATOM 1368 CA ILE A 89 0.989 -11.801 0.995 1.00 0.00 C ATOM 1369 C ILE A 89 -0.190 -12.745 0.753 1.00 0.00 C ATOM 1370 O ILE A 89 -0.515 -13.070 -0.389 1.00 0.00 O ATOM 1371 CB ILE A 89 2.200 -12.586 1.554 1.00 0.00 C ATOM 1372 CG1 ILE A 89 3.463 -11.721 1.459 1.00 0.00 C ATOM 1373 CG2 ILE A 89 2.389 -13.908 0.817 1.00 0.00 C ATOM 1374 CD1 ILE A 89 4.734 -12.432 1.871 1.00 0.00 C ATOM 0 H ILE A 89 1.042 -10.728 2.798 1.00 0.00 H new ATOM 0 HA ILE A 89 1.289 -11.360 0.045 1.00 0.00 H new ATOM 0 HB ILE A 89 2.010 -12.822 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 89 3.573 -11.369 0.433 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.334 -10.839 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.247 -14.437 1.232 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.495 -14.520 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 89 2.560 -13.713 -0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.580 -11.751 1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.648 -12.760 2.907 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.891 -13.298 1.228 1.00 0.00 H new ATOM 1386 N LYS A 90 -0.834 -13.174 1.829 1.00 0.00 N ATOM 1387 CA LYS A 90 -2.005 -14.036 1.713 1.00 0.00 C ATOM 1388 C LYS A 90 -3.288 -13.217 1.778 1.00 0.00 C ATOM 1389 O LYS A 90 -4.259 -13.500 1.079 1.00 0.00 O ATOM 1390 CB LYS A 90 -2.030 -15.082 2.829 1.00 0.00 C ATOM 1391 CG LYS A 90 -0.869 -16.058 2.809 1.00 0.00 C ATOM 1392 CD LYS A 90 -1.017 -17.086 3.916 1.00 0.00 C ATOM 1393 CE LYS A 90 0.174 -18.022 3.993 1.00 0.00 C ATOM 1394 NZ LYS A 90 0.019 -19.006 5.096 1.00 0.00 N ATOM 0 H LYS A 90 -0.569 -12.942 2.786 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.942 -14.540 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -2.038 -14.568 3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.961 -15.645 2.760 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.825 -16.560 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.070 -15.518 2.930 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.137 -16.574 4.871 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -1.924 -17.668 3.750 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.286 -18.549 3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 90 1.085 -17.443 4.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 0.849 -19.632 5.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.064 -18.502 6.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.837 -19.574 4.937 1.00 0.00 H new ATOM 1408 N ASP A 91 -3.279 -12.196 2.620 1.00 0.00 N ATOM 1409 CA ASP A 91 -4.491 -11.452 2.940 1.00 0.00 C ATOM 1410 C ASP A 91 -4.523 -10.097 2.251 1.00 0.00 C ATOM 1411 O ASP A 91 -4.921 -9.102 2.849 1.00 0.00 O ATOM 1412 CB ASP A 91 -4.607 -11.269 4.455 1.00 0.00 C ATOM 1413 CG ASP A 91 -4.803 -12.584 5.183 1.00 0.00 C ATOM 1414 OD1 ASP A 91 -5.919 -13.140 5.123 1.00 0.00 O ATOM 1415 OD2 ASP A 91 -3.843 -13.075 5.806 1.00 0.00 O ATOM 0 H ASP A 91 -2.442 -11.861 3.097 1.00 0.00 H new ATOM 0 HA ASP A 91 -5.339 -12.030 2.574 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.707 -10.780 4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -5.444 -10.607 4.675 1.00 0.00 H new ATOM 1420 N ALA A 92 -4.116 -10.062 0.990 1.00 0.00 N ATOM 1421 CA ALA A 92 -4.097 -8.817 0.227 1.00 0.00 C ATOM 1422 C ALA A 92 -5.491 -8.194 0.133 1.00 0.00 C ATOM 1423 O ALA A 92 -5.654 -6.995 0.319 1.00 0.00 O ATOM 1424 CB ALA A 92 -3.530 -9.053 -1.164 1.00 0.00 C ATOM 0 H ALA A 92 -3.794 -10.880 0.472 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.453 -8.115 0.757 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.523 -8.114 -1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -2.512 -9.433 -1.082 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -4.148 -9.781 -1.690 1.00 0.00 H new ATOM 1430 N GLU A 93 -6.502 -9.006 -0.140 1.00 0.00 N ATOM 1431 CA GLU A 93 -7.870 -8.502 -0.206 1.00 0.00 C ATOM 1432 C GLU A 93 -8.342 -8.074 1.178 1.00 0.00 C ATOM 1433 O GLU A 93 -9.136 -7.147 1.323 1.00 0.00 O ATOM 1434 CB GLU A 93 -8.828 -9.557 -0.768 1.00 0.00 C ATOM 1435 CG GLU A 93 -8.346 -10.211 -2.052 1.00 0.00 C ATOM 1436 CD GLU A 93 -7.539 -11.466 -1.795 1.00 0.00 C ATOM 1437 OE1 GLU A 93 -6.348 -11.357 -1.448 1.00 0.00 O ATOM 1438 OE2 GLU A 93 -8.107 -12.572 -1.930 1.00 0.00 O ATOM 0 H GLU A 93 -6.406 -10.006 -0.318 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.873 -7.642 -0.876 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -8.983 -10.330 -0.015 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -9.797 -9.092 -0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.205 -10.457 -2.676 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.738 -9.500 -2.612 1.00 0.00 H new ATOM 1445 N LYS A 94 -7.822 -8.745 2.195 1.00 0.00 N ATOM 1446 CA LYS A 94 -8.218 -8.482 3.571 1.00 0.00 C ATOM 1447 C LYS A 94 -7.608 -7.172 4.045 1.00 0.00 C ATOM 1448 O LYS A 94 -8.257 -6.378 4.720 1.00 0.00 O ATOM 1449 CB LYS A 94 -7.773 -9.624 4.484 1.00 0.00 C ATOM 1450 CG LYS A 94 -8.362 -10.976 4.115 1.00 0.00 C ATOM 1451 CD LYS A 94 -9.863 -11.019 4.354 1.00 0.00 C ATOM 1452 CE LYS A 94 -10.451 -12.362 3.954 1.00 0.00 C ATOM 1453 NZ LYS A 94 -11.901 -12.450 4.272 1.00 0.00 N ATOM 0 H LYS A 94 -7.121 -9.479 2.092 1.00 0.00 H new ATOM 0 HA LYS A 94 -9.305 -8.407 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.686 -9.694 4.458 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.053 -9.385 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.154 -11.190 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -7.877 -11.757 4.702 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -10.071 -10.829 5.407 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -10.346 -10.225 3.785 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -10.304 -12.519 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.917 -13.160 4.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -12.264 -13.381 3.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -12.040 -12.326 5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -12.415 -11.705 3.760 1.00 0.00 H new ATOM 1467 N VAL A 95 -6.355 -6.958 3.670 1.00 0.00 N ATOM 1468 CA VAL A 95 -5.625 -5.753 4.041 1.00 0.00 C ATOM 1469 C VAL A 95 -6.263 -4.530 3.388 1.00 0.00 C ATOM 1470 O VAL A 95 -6.351 -3.458 3.989 1.00 0.00 O ATOM 1471 CB VAL A 95 -4.137 -5.881 3.639 1.00 0.00 C ATOM 1472 CG1 VAL A 95 -3.909 -5.594 2.168 1.00 0.00 C ATOM 1473 CG2 VAL A 95 -3.252 -5.004 4.505 1.00 0.00 C ATOM 0 H VAL A 95 -5.817 -7.612 3.102 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.674 -5.628 5.123 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.858 -6.921 3.810 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -2.849 -5.697 1.937 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.482 -6.300 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.232 -4.578 1.941 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.213 -5.118 4.196 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -3.552 -3.962 4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -3.355 -5.301 5.549 1.00 0.00 H new ATOM 1483 N ILE A 96 -6.721 -4.715 2.157 1.00 0.00 N ATOM 1484 CA ILE A 96 -7.454 -3.677 1.442 1.00 0.00 C ATOM 1485 C ILE A 96 -8.747 -3.337 2.180 1.00 0.00 C ATOM 1486 O ILE A 96 -9.061 -2.165 2.399 1.00 0.00 O ATOM 1487 CB ILE A 96 -7.773 -4.104 -0.013 1.00 0.00 C ATOM 1488 CG1 ILE A 96 -6.477 -4.239 -0.819 1.00 0.00 C ATOM 1489 CG2 ILE A 96 -8.709 -3.103 -0.676 1.00 0.00 C ATOM 1490 CD1 ILE A 96 -6.686 -4.714 -2.243 1.00 0.00 C ATOM 0 H ILE A 96 -6.597 -5.579 1.630 1.00 0.00 H new ATOM 0 HA ILE A 96 -6.818 -2.793 1.402 1.00 0.00 H new ATOM 0 HB ILE A 96 -8.274 -5.072 0.013 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -5.971 -3.274 -0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -5.814 -4.936 -0.307 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -8.920 -3.423 -1.697 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -9.641 -3.048 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -8.238 -2.120 -0.693 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -5.723 -4.784 -2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -7.163 -5.694 -2.233 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -7.323 -4.006 -2.773 1.00 0.00 H new ATOM 1502 N ASN A 97 -9.479 -4.371 2.587 1.00 0.00 N ATOM 1503 CA ASN A 97 -10.711 -4.190 3.350 1.00 0.00 C ATOM 1504 C ASN A 97 -10.431 -3.491 4.673 1.00 0.00 C ATOM 1505 O ASN A 97 -11.207 -2.640 5.109 1.00 0.00 O ATOM 1506 CB ASN A 97 -11.397 -5.536 3.608 1.00 0.00 C ATOM 1507 CG ASN A 97 -12.318 -5.953 2.477 1.00 0.00 C ATOM 1508 OD1 ASN A 97 -13.506 -5.638 2.483 1.00 0.00 O ATOM 1509 ND2 ASN A 97 -11.782 -6.666 1.500 1.00 0.00 N ATOM 0 H ASN A 97 -9.240 -5.345 2.401 1.00 0.00 H new ATOM 0 HA ASN A 97 -11.379 -3.565 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -10.637 -6.304 3.753 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -11.970 -5.475 4.533 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -12.359 -6.973 0.717 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.792 -6.908 1.530 1.00 0.00 H new ATOM 1516 N ALA A 98 -9.309 -3.841 5.295 1.00 0.00 N ATOM 1517 CA ALA A 98 -8.894 -3.217 6.544 1.00 0.00 C ATOM 1518 C ALA A 98 -8.663 -1.722 6.348 1.00 0.00 C ATOM 1519 O ALA A 98 -9.018 -0.917 7.205 1.00 0.00 O ATOM 1520 CB ALA A 98 -7.638 -3.886 7.082 1.00 0.00 C ATOM 0 H ALA A 98 -8.669 -4.557 4.951 1.00 0.00 H new ATOM 0 HA ALA A 98 -9.693 -3.346 7.274 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -7.342 -3.407 8.015 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -7.837 -4.942 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -6.833 -3.789 6.353 1.00 0.00 H new ATOM 1526 N ALA A 99 -8.073 -1.361 5.214 1.00 0.00 N ATOM 1527 CA ALA A 99 -7.857 0.041 4.874 1.00 0.00 C ATOM 1528 C ALA A 99 -9.183 0.745 4.611 1.00 0.00 C ATOM 1529 O ALA A 99 -9.423 1.848 5.099 1.00 0.00 O ATOM 1530 CB ALA A 99 -6.954 0.156 3.659 1.00 0.00 C ATOM 0 H ALA A 99 -7.735 -2.021 4.513 1.00 0.00 H new ATOM 0 HA ALA A 99 -7.372 0.526 5.721 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -6.802 1.208 3.417 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.992 -0.310 3.875 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -7.419 -0.348 2.811 1.00 0.00 H new ATOM 1536 N LEU A 100 -10.045 0.089 3.842 1.00 0.00 N ATOM 1537 CA LEU A 100 -11.374 0.612 3.540 1.00 0.00 C ATOM 1538 C LEU A 100 -12.172 0.829 4.825 1.00 0.00 C ATOM 1539 O LEU A 100 -13.059 1.684 4.887 1.00 0.00 O ATOM 1540 CB LEU A 100 -12.122 -0.336 2.599 1.00 0.00 C ATOM 1541 CG LEU A 100 -11.482 -0.517 1.218 1.00 0.00 C ATOM 1542 CD1 LEU A 100 -12.268 -1.528 0.398 1.00 0.00 C ATOM 1543 CD2 LEU A 100 -11.403 0.817 0.484 1.00 0.00 C ATOM 0 H LEU A 100 -9.845 -0.814 3.413 1.00 0.00 H new ATOM 0 HA LEU A 100 -11.258 1.574 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.200 -1.312 3.078 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -13.138 0.035 2.466 1.00 0.00 H new ATOM 0 HG LEU A 100 -10.468 -0.894 1.355 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -11.801 -1.645 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -12.275 -2.488 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -13.292 -1.176 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.946 0.668 -0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.407 1.223 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -10.800 1.516 1.063 1.00 0.00 H new ATOM 1555 N ALA A 101 -11.852 0.047 5.846 1.00 0.00 N ATOM 1556 CA ALA A 101 -12.494 0.172 7.146 1.00 0.00 C ATOM 1557 C ALA A 101 -12.201 1.527 7.798 1.00 0.00 C ATOM 1558 O ALA A 101 -12.954 1.984 8.652 1.00 0.00 O ATOM 1559 CB ALA A 101 -12.059 -0.966 8.058 1.00 0.00 C ATOM 0 H ALA A 101 -11.145 -0.687 5.797 1.00 0.00 H new ATOM 0 HA ALA A 101 -13.571 0.112 6.992 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -12.546 -0.862 9.028 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -12.342 -1.919 7.611 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -10.977 -0.934 8.190 1.00 0.00 H new ATOM 1565 N LEU A 102 -11.119 2.174 7.376 1.00 0.00 N ATOM 1566 CA LEU A 102 -10.745 3.475 7.926 1.00 0.00 C ATOM 1567 C LEU A 102 -11.601 4.596 7.345 1.00 0.00 C ATOM 1568 O LEU A 102 -11.668 5.687 7.911 1.00 0.00 O ATOM 1569 CB LEU A 102 -9.261 3.777 7.671 1.00 0.00 C ATOM 1570 CG LEU A 102 -8.277 3.233 8.716 1.00 0.00 C ATOM 1571 CD1 LEU A 102 -8.568 3.829 10.085 1.00 0.00 C ATOM 1572 CD2 LEU A 102 -8.323 1.715 8.775 1.00 0.00 C ATOM 0 H LEU A 102 -10.487 1.821 6.657 1.00 0.00 H new ATOM 0 HA LEU A 102 -10.919 3.427 9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.989 3.369 6.697 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.135 4.858 7.610 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.272 3.527 8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -7.860 3.432 10.813 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.470 4.914 10.038 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.583 3.569 10.387 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -7.616 1.358 9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.329 1.392 9.043 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.058 1.305 7.801 1.00 0.00 H new ATOM 1584 N ILE A 103 -12.255 4.336 6.218 1.00 0.00 N ATOM 1585 CA ILE A 103 -13.066 5.361 5.566 1.00 0.00 C ATOM 1586 C ILE A 103 -14.550 5.000 5.541 1.00 0.00 C ATOM 1587 O ILE A 103 -15.405 5.886 5.576 1.00 0.00 O ATOM 1588 CB ILE A 103 -12.590 5.651 4.124 1.00 0.00 C ATOM 1589 CG1 ILE A 103 -12.460 4.350 3.323 1.00 0.00 C ATOM 1590 CG2 ILE A 103 -11.271 6.409 4.147 1.00 0.00 C ATOM 1591 CD1 ILE A 103 -12.099 4.561 1.868 1.00 0.00 C ATOM 0 H ILE A 103 -12.241 3.435 5.740 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.936 6.260 6.168 1.00 0.00 H new ATOM 0 HB ILE A 103 -13.336 6.274 3.631 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -11.700 3.722 3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -13.402 3.805 3.378 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.947 6.607 3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.403 7.353 4.675 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -10.516 5.811 4.657 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -12.025 3.595 1.368 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -12.870 5.162 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -11.142 5.078 1.802 1.00 0.00 H new ATOM 1603 N ASP A 104 -14.862 3.712 5.482 1.00 0.00 N ATOM 1604 CA ASP A 104 -16.257 3.283 5.406 1.00 0.00 C ATOM 1605 C ASP A 104 -16.525 2.091 6.314 1.00 0.00 C ATOM 1606 O ASP A 104 -17.559 2.035 6.983 1.00 0.00 O ATOM 1607 CB ASP A 104 -16.629 2.928 3.965 1.00 0.00 C ATOM 1608 CG ASP A 104 -18.112 2.670 3.799 1.00 0.00 C ATOM 1609 OD1 ASP A 104 -18.883 3.649 3.717 1.00 0.00 O ATOM 1610 OD2 ASP A 104 -18.520 1.494 3.737 1.00 0.00 O ATOM 0 H ASP A 104 -14.180 2.953 5.485 1.00 0.00 H new ATOM 0 HA ASP A 104 -16.874 4.115 5.744 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -16.328 3.741 3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -16.072 2.043 3.656 1.00 0.00 H new