USER MOD reduce.3.24.130724 H: found=0, std=0, add=989, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 988 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 174:sc= -0.231 (180deg=-0.304) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 CYS SG : rot 90:sc= -1.4 USER MOD Single : A 9 THR OG1 : rot -54:sc= 1.52 USER MOD Single : A 20 THR OG1 : rot -140:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 177:sc= 0.0952 (180deg=0.0928) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -53:sc= 0.82 USER MOD Single : A 32 LYS NZ :NH3+ 173:sc= 0.961 (180deg=0.807) USER MOD Single : A 34 THR OG1 : rot -73:sc= 1.01 USER MOD Single : A 38 LYS NZ :NH3+ -173:sc= 0.768 (180deg=0.734) USER MOD Single : A 41 CYS SG : rot -150:sc= -1.14 USER MOD Single : A 44 LYS NZ :NH3+ -142:sc= 0.495 (180deg=-2.16!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.216 K(o=-0.22,f=-1.3) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.194 K(o=0.19,f=-1.3) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN :FLIP amide:sc= -0.262 F(o=-1.2!,f=-0.26) USER MOD Single : A 84 LYS NZ :NH3+ 175:sc= 1.26 (180deg=1) USER MOD Single : A 85 LYS NZ :NH3+ -167:sc= -0.0605 (180deg=-0.311) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 MET CE :methyl -163:sc= -0.13 (180deg=-0.846) USER MOD Single : A 108 LYS NZ :NH3+ -169:sc= -0.0311 (180deg=-0.206) USER MOD Single : A 114 LYS NZ :NH3+ -143:sc= 0.748 (180deg=0.0419) USER MOD Single : A 115 THR OG1 : rot 180:sc= -0.516 USER MOD Single : A 122 ASN : amide:sc= -0.0817 K(o=-0.082,f=-8.8!) USER MOD Single : A 127 TYR OH : rot -142:sc= 0.984 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 4.389 15.219 -11.506 1.00 0.00 N ATOM 2 CA VAL A 1 4.119 15.367 -10.086 1.00 0.00 C ATOM 3 C VAL A 1 5.229 14.728 -9.259 1.00 0.00 C ATOM 4 O VAL A 1 5.620 13.582 -9.490 1.00 0.00 O ATOM 5 CB VAL A 1 2.747 14.776 -9.691 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.617 15.641 -10.229 1.00 0.00 C ATOM 7 CG2 VAL A 1 2.600 13.351 -10.194 1.00 0.00 C ATOM 0 H1 VAL A 1 3.576 15.569 -12.052 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.236 15.767 -11.757 1.00 0.00 H new ATOM 0 H3 VAL A 1 4.548 14.215 -11.726 1.00 0.00 H new ATOM 0 HA VAL A 1 4.088 16.436 -9.874 1.00 0.00 H new ATOM 0 HB VAL A 1 2.691 14.762 -8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 1 0.659 15.209 -9.941 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.700 16.646 -9.816 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.681 15.689 -11.316 1.00 0.00 H new ATOM 0 HG21 VAL A 1 1.625 12.961 -9.902 1.00 0.00 H new ATOM 0 HG22 VAL A 1 2.685 13.338 -11.281 1.00 0.00 H new ATOM 0 HG23 VAL A 1 3.384 12.730 -9.761 1.00 0.00 H new ATOM 17 N LYS A 2 5.738 15.487 -8.308 1.00 0.00 N ATOM 18 CA LYS A 2 6.858 15.057 -7.488 1.00 0.00 C ATOM 19 C LYS A 2 6.535 15.282 -6.018 1.00 0.00 C ATOM 20 O LYS A 2 6.366 16.422 -5.582 1.00 0.00 O ATOM 21 CB LYS A 2 8.112 15.837 -7.896 1.00 0.00 C ATOM 22 CG LYS A 2 9.343 15.535 -7.061 1.00 0.00 C ATOM 23 CD LYS A 2 10.523 16.389 -7.505 1.00 0.00 C ATOM 24 CE LYS A 2 11.741 16.181 -6.620 1.00 0.00 C ATOM 25 NZ LYS A 2 12.862 17.080 -7.004 1.00 0.00 N ATOM 0 H LYS A 2 5.389 16.418 -8.081 1.00 0.00 H new ATOM 0 HA LYS A 2 7.042 13.993 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 2 8.335 15.620 -8.941 1.00 0.00 H new ATOM 0 HB3 LYS A 2 7.898 16.904 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.129 15.722 -6.009 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.599 14.479 -7.151 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.779 16.146 -8.536 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.237 17.441 -7.487 1.00 0.00 H new ATOM 0 HE2 LYS A 2 11.470 16.362 -5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.067 15.143 -6.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 13.675 16.909 -6.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.138 16.890 -7.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.559 18.071 -6.914 1.00 0.00 H new ATOM 39 N PHE A 3 6.434 14.200 -5.258 1.00 0.00 N ATOM 40 CA PHE A 3 6.055 14.296 -3.855 1.00 0.00 C ATOM 41 C PHE A 3 7.045 13.551 -2.969 1.00 0.00 C ATOM 42 O PHE A 3 7.844 12.744 -3.446 1.00 0.00 O ATOM 43 CB PHE A 3 4.650 13.722 -3.631 1.00 0.00 C ATOM 44 CG PHE A 3 3.578 14.364 -4.465 1.00 0.00 C ATOM 45 CD1 PHE A 3 3.099 15.626 -4.156 1.00 0.00 C ATOM 46 CD2 PHE A 3 3.046 13.698 -5.558 1.00 0.00 C ATOM 47 CE1 PHE A 3 2.111 16.214 -4.924 1.00 0.00 C ATOM 48 CE2 PHE A 3 2.060 14.278 -6.327 1.00 0.00 C ATOM 49 CZ PHE A 3 1.592 15.537 -6.011 1.00 0.00 C ATOM 0 H PHE A 3 6.608 13.250 -5.587 1.00 0.00 H new ATOM 0 HA PHE A 3 6.061 15.353 -3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 3 4.669 12.653 -3.845 1.00 0.00 H new ATOM 0 HB3 PHE A 3 4.389 13.832 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 3 3.502 16.157 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 3 3.409 12.712 -5.810 1.00 0.00 H new ATOM 0 HE1 PHE A 3 1.746 17.199 -4.675 1.00 0.00 H new ATOM 0 HE2 PHE A 3 1.654 13.748 -7.176 1.00 0.00 H new ATOM 0 HZ PHE A 3 0.820 15.993 -6.613 1.00 0.00 H new ATOM 59 N ALA A 4 6.981 13.829 -1.678 1.00 0.00 N ATOM 60 CA ALA A 4 7.778 13.114 -0.699 1.00 0.00 C ATOM 61 C ALA A 4 6.858 12.399 0.278 1.00 0.00 C ATOM 62 O ALA A 4 5.827 12.941 0.680 1.00 0.00 O ATOM 63 CB ALA A 4 8.709 14.067 0.034 1.00 0.00 C ATOM 0 H ALA A 4 6.379 14.551 -1.282 1.00 0.00 H new ATOM 0 HA ALA A 4 8.395 12.375 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 4 9.298 13.511 0.764 1.00 0.00 H new ATOM 0 HB2 ALA A 4 9.377 14.546 -0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 4 8.121 14.828 0.547 1.00 0.00 H new ATOM 69 N CYS A 5 7.215 11.183 0.642 1.00 0.00 N ATOM 70 CA CYS A 5 6.404 10.399 1.551 1.00 0.00 C ATOM 71 C CYS A 5 7.202 10.044 2.796 1.00 0.00 C ATOM 72 O CYS A 5 8.408 10.279 2.855 1.00 0.00 O ATOM 73 CB CYS A 5 5.904 9.133 0.853 1.00 0.00 C ATOM 74 SG CYS A 5 7.205 8.163 0.058 1.00 0.00 S ATOM 0 H CYS A 5 8.063 10.716 0.321 1.00 0.00 H new ATOM 0 HA CYS A 5 5.540 10.992 1.853 1.00 0.00 H new ATOM 0 HB2 CYS A 5 5.394 8.506 1.584 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.165 9.413 0.102 1.00 0.00 H new ATOM 0 HG CYS A 5 7.679 7.297 0.904 1.00 0.00 H new ATOM 80 N ARG A 6 6.533 9.475 3.786 1.00 0.00 N ATOM 81 CA ARG A 6 7.190 9.124 5.036 1.00 0.00 C ATOM 82 C ARG A 6 7.658 7.675 4.993 1.00 0.00 C ATOM 83 O ARG A 6 6.853 6.752 4.845 1.00 0.00 O ATOM 84 CB ARG A 6 6.250 9.370 6.222 1.00 0.00 C ATOM 85 CG ARG A 6 6.851 9.014 7.573 1.00 0.00 C ATOM 86 CD ARG A 6 6.052 9.630 8.712 1.00 0.00 C ATOM 87 NE ARG A 6 6.475 9.126 10.018 1.00 0.00 N ATOM 88 CZ ARG A 6 7.385 9.713 10.796 1.00 0.00 C ATOM 89 NH1 ARG A 6 7.974 10.840 10.405 1.00 0.00 N ATOM 90 NH2 ARG A 6 7.689 9.175 11.971 1.00 0.00 N ATOM 0 H ARG A 6 5.540 9.247 3.749 1.00 0.00 H new ATOM 0 HA ARG A 6 8.066 9.759 5.168 1.00 0.00 H new ATOM 0 HB2 ARG A 6 5.960 10.421 6.231 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.339 8.789 6.077 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.877 7.930 7.688 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.882 9.364 7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.165 10.714 8.689 1.00 0.00 H new ATOM 0 HD3 ARG A 6 4.993 9.417 8.568 1.00 0.00 H new ATOM 0 HE ARG A 6 6.044 8.266 10.357 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.730 11.258 9.507 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.670 11.286 11.003 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.227 8.317 12.274 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.384 9.619 12.571 1.00 0.00 H new ATOM 104 N ALA A 7 8.968 7.495 5.098 1.00 0.00 N ATOM 105 CA ALA A 7 9.588 6.186 4.968 1.00 0.00 C ATOM 106 C ALA A 7 9.303 5.296 6.172 1.00 0.00 C ATOM 107 O ALA A 7 9.978 5.387 7.199 1.00 0.00 O ATOM 108 CB ALA A 7 11.088 6.338 4.774 1.00 0.00 C ATOM 0 H ALA A 7 9.628 8.252 5.275 1.00 0.00 H new ATOM 0 HA ALA A 7 9.154 5.702 4.093 1.00 0.00 H new ATOM 0 HB1 ALA A 7 11.544 5.353 4.678 1.00 0.00 H new ATOM 0 HB2 ALA A 7 11.281 6.917 3.871 1.00 0.00 H new ATOM 0 HB3 ALA A 7 11.516 6.853 5.634 1.00 0.00 H new ATOM 114 N ILE A 8 8.292 4.449 6.041 1.00 0.00 N ATOM 115 CA ILE A 8 7.968 3.477 7.075 1.00 0.00 C ATOM 116 C ILE A 8 8.869 2.255 6.938 1.00 0.00 C ATOM 117 O ILE A 8 9.395 1.737 7.921 1.00 0.00 O ATOM 118 CB ILE A 8 6.484 3.044 6.999 1.00 0.00 C ATOM 119 CG1 ILE A 8 5.569 4.260 7.170 1.00 0.00 C ATOM 120 CG2 ILE A 8 6.171 1.984 8.050 1.00 0.00 C ATOM 121 CD1 ILE A 8 5.789 5.007 8.469 1.00 0.00 C ATOM 0 H ILE A 8 7.680 4.416 5.226 1.00 0.00 H new ATOM 0 HA ILE A 8 8.134 3.949 8.044 1.00 0.00 H new ATOM 0 HB ILE A 8 6.304 2.606 6.017 1.00 0.00 H new ATOM 0 HG12 ILE A 8 5.728 4.944 6.336 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.531 3.933 7.120 1.00 0.00 H new ATOM 0 HG21 ILE A 8 5.122 1.697 7.976 1.00 0.00 H new ATOM 0 HG22 ILE A 8 6.800 1.109 7.883 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.367 2.387 9.043 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.107 5.855 8.521 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.602 4.339 9.309 1.00 0.00 H new ATOM 0 HD13 ILE A 8 6.817 5.365 8.513 1.00 0.00 H new ATOM 133 N THR A 9 9.046 1.812 5.703 1.00 0.00 N ATOM 134 CA THR A 9 9.925 0.693 5.399 1.00 0.00 C ATOM 135 C THR A 9 10.943 1.123 4.349 1.00 0.00 C ATOM 136 O THR A 9 11.128 2.320 4.131 1.00 0.00 O ATOM 137 CB THR A 9 9.122 -0.529 4.902 1.00 0.00 C ATOM 138 OG1 THR A 9 8.221 -0.135 3.864 1.00 0.00 O ATOM 139 CG2 THR A 9 8.342 -1.168 6.043 1.00 0.00 C ATOM 0 H THR A 9 8.587 2.216 4.886 1.00 0.00 H new ATOM 0 HA THR A 9 10.444 0.397 6.311 1.00 0.00 H new ATOM 0 HB THR A 9 9.827 -1.262 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.661 0.604 4.180 1.00 0.00 H new ATOM 0 HG21 THR A 9 7.785 -2.026 5.667 1.00 0.00 H new ATOM 0 HG22 THR A 9 9.034 -1.496 6.818 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.647 -0.440 6.462 1.00 0.00 H new ATOM 147 N ARG A 10 11.611 0.167 3.720 1.00 0.00 N ATOM 148 CA ARG A 10 12.585 0.478 2.685 1.00 0.00 C ATOM 149 C ARG A 10 12.166 -0.132 1.355 1.00 0.00 C ATOM 150 O ARG A 10 11.094 -0.725 1.246 1.00 0.00 O ATOM 151 CB ARG A 10 13.972 -0.034 3.068 1.00 0.00 C ATOM 152 CG ARG A 10 14.584 0.665 4.267 1.00 0.00 C ATOM 153 CD ARG A 10 16.043 0.279 4.432 1.00 0.00 C ATOM 154 NE ARG A 10 16.643 0.870 5.622 1.00 0.00 N ATOM 155 CZ ARG A 10 17.627 1.768 5.594 1.00 0.00 C ATOM 156 NH1 ARG A 10 18.039 2.278 4.435 1.00 0.00 N ATOM 157 NH2 ARG A 10 18.179 2.176 6.730 1.00 0.00 N ATOM 0 H ARG A 10 11.496 -0.829 3.908 1.00 0.00 H new ATOM 0 HA ARG A 10 12.627 1.563 2.584 1.00 0.00 H new ATOM 0 HB2 ARG A 10 13.908 -1.102 3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 10 14.639 0.083 2.214 1.00 0.00 H new ATOM 0 HG2 ARG A 10 14.501 1.745 4.145 1.00 0.00 H new ATOM 0 HG3 ARG A 10 14.030 0.402 5.168 1.00 0.00 H new ATOM 0 HD2 ARG A 10 16.125 -0.806 4.488 1.00 0.00 H new ATOM 0 HD3 ARG A 10 16.602 0.596 3.551 1.00 0.00 H new ATOM 0 HE ARG A 10 16.288 0.578 6.532 1.00 0.00 H new ATOM 0 HH11 ARG A 10 17.601 1.982 3.563 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.793 2.965 4.419 1.00 0.00 H new ATOM 0 HH21 ARG A 10 17.850 1.802 7.620 1.00 0.00 H new ATOM 0 HH22 ARG A 10 18.933 2.863 6.713 1.00 0.00 H new ATOM 171 N GLY A 11 13.025 0.001 0.353 1.00 0.00 N ATOM 172 CA GLY A 11 12.726 -0.533 -0.959 1.00 0.00 C ATOM 173 C GLY A 11 12.599 0.558 -2.001 1.00 0.00 C ATOM 174 O GLY A 11 12.138 1.658 -1.702 1.00 0.00 O ATOM 0 H GLY A 11 13.927 0.471 0.427 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.512 -1.227 -1.255 1.00 0.00 H new ATOM 0 HA3 GLY A 11 11.798 -1.102 -0.916 1.00 0.00 H new ATOM 178 N ARG A 12 13.028 0.263 -3.220 1.00 0.00 N ATOM 179 CA ARG A 12 12.954 1.218 -4.323 1.00 0.00 C ATOM 180 C ARG A 12 12.579 0.489 -5.605 1.00 0.00 C ATOM 181 O ARG A 12 13.337 -0.354 -6.088 1.00 0.00 O ATOM 182 CB ARG A 12 14.297 1.935 -4.506 1.00 0.00 C ATOM 183 CG ARG A 12 14.758 2.701 -3.272 1.00 0.00 C ATOM 184 CD ARG A 12 16.148 3.290 -3.459 1.00 0.00 C ATOM 185 NE ARG A 12 17.127 2.271 -3.828 1.00 0.00 N ATOM 186 CZ ARG A 12 17.949 1.667 -2.972 1.00 0.00 C ATOM 187 NH1 ARG A 12 17.935 1.986 -1.681 1.00 0.00 N ATOM 188 NH2 ARG A 12 18.794 0.742 -3.411 1.00 0.00 N ATOM 0 H ARG A 12 13.435 -0.637 -3.474 1.00 0.00 H new ATOM 0 HA ARG A 12 12.193 1.963 -4.091 1.00 0.00 H new ATOM 0 HB2 ARG A 12 15.057 1.200 -4.771 1.00 0.00 H new ATOM 0 HB3 ARG A 12 14.217 2.628 -5.344 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.050 3.501 -3.056 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.759 2.034 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 12 16.116 4.059 -4.231 1.00 0.00 H new ATOM 0 HD3 ARG A 12 16.462 3.778 -2.537 1.00 0.00 H new ATOM 0 HE ARG A 12 17.185 2.003 -4.810 1.00 0.00 H new ATOM 0 HH11 ARG A 12 17.291 2.699 -1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 12 18.568 1.518 -1.033 1.00 0.00 H new ATOM 0 HH21 ARG A 12 18.812 0.496 -4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 12 19.425 0.277 -2.759 1.00 0.00 H new ATOM 202 N ALA A 13 11.412 0.803 -6.148 1.00 0.00 N ATOM 203 CA ALA A 13 10.918 0.113 -7.330 1.00 0.00 C ATOM 204 C ALA A 13 9.938 0.982 -8.105 1.00 0.00 C ATOM 205 O ALA A 13 9.505 2.028 -7.624 1.00 0.00 O ATOM 206 CB ALA A 13 10.257 -1.202 -6.937 1.00 0.00 C ATOM 0 H ALA A 13 10.791 1.529 -5.790 1.00 0.00 H new ATOM 0 HA ALA A 13 11.770 -0.097 -7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.892 -1.707 -7.831 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.984 -1.838 -6.432 1.00 0.00 H new ATOM 0 HB3 ALA A 13 9.421 -1.003 -6.266 1.00 0.00 H new ATOM 212 N GLU A 14 9.595 0.543 -9.307 1.00 0.00 N ATOM 213 CA GLU A 14 8.646 1.258 -10.147 1.00 0.00 C ATOM 214 C GLU A 14 7.658 0.277 -10.762 1.00 0.00 C ATOM 215 O GLU A 14 8.007 -0.874 -11.035 1.00 0.00 O ATOM 216 CB GLU A 14 9.382 2.013 -11.259 1.00 0.00 C ATOM 217 CG GLU A 14 10.095 1.099 -12.243 1.00 0.00 C ATOM 218 CD GLU A 14 10.800 1.850 -13.353 1.00 0.00 C ATOM 219 OE1 GLU A 14 10.118 2.363 -14.263 1.00 0.00 O ATOM 220 OE2 GLU A 14 12.045 1.916 -13.327 1.00 0.00 O ATOM 0 H GLU A 14 9.963 -0.312 -9.725 1.00 0.00 H new ATOM 0 HA GLU A 14 8.106 1.976 -9.530 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.667 2.631 -11.802 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.110 2.688 -10.809 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.823 0.493 -11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.371 0.412 -12.681 1.00 0.00 H new ATOM 227 N GLY A 15 6.424 0.711 -10.958 1.00 0.00 N ATOM 228 CA GLY A 15 5.467 -0.118 -11.652 1.00 0.00 C ATOM 229 C GLY A 15 4.245 0.658 -12.074 1.00 0.00 C ATOM 230 O GLY A 15 4.195 1.883 -11.922 1.00 0.00 O ATOM 0 H GLY A 15 6.070 1.617 -10.651 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.939 -0.557 -12.531 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.167 -0.943 -11.006 1.00 0.00 H new ATOM 234 N GLU A 16 3.262 -0.051 -12.596 1.00 0.00 N ATOM 235 CA GLU A 16 2.016 0.565 -13.011 1.00 0.00 C ATOM 236 C GLU A 16 1.182 0.918 -11.788 1.00 0.00 C ATOM 237 O GLU A 16 0.953 0.079 -10.912 1.00 0.00 O ATOM 238 CB GLU A 16 1.248 -0.380 -13.939 1.00 0.00 C ATOM 239 CG GLU A 16 -0.030 0.210 -14.511 1.00 0.00 C ATOM 240 CD GLU A 16 -0.698 -0.723 -15.499 1.00 0.00 C ATOM 241 OE1 GLU A 16 -1.468 -1.607 -15.065 1.00 0.00 O ATOM 242 OE2 GLU A 16 -0.453 -0.586 -16.715 1.00 0.00 O ATOM 0 H GLU A 16 3.303 -1.059 -12.743 1.00 0.00 H new ATOM 0 HA GLU A 16 2.232 1.482 -13.559 1.00 0.00 H new ATOM 0 HB2 GLU A 16 1.900 -0.672 -14.762 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.001 -1.289 -13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -0.722 0.431 -13.698 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.197 1.156 -15.003 1.00 0.00 H new ATOM 249 N ALA A 17 0.749 2.165 -11.726 1.00 0.00 N ATOM 250 CA ALA A 17 -0.006 2.659 -10.593 1.00 0.00 C ATOM 251 C ALA A 17 -1.464 2.250 -10.694 1.00 0.00 C ATOM 252 O ALA A 17 -2.164 2.606 -11.647 1.00 0.00 O ATOM 253 CB ALA A 17 0.122 4.173 -10.488 1.00 0.00 C ATOM 0 H ALA A 17 0.911 2.859 -12.456 1.00 0.00 H new ATOM 0 HA ALA A 17 0.407 2.214 -9.688 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.451 4.528 -9.632 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.171 4.441 -10.359 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.262 4.635 -11.398 1.00 0.00 H new ATOM 259 N LEU A 18 -1.907 1.492 -9.713 1.00 0.00 N ATOM 260 CA LEU A 18 -3.282 1.052 -9.634 1.00 0.00 C ATOM 261 C LEU A 18 -4.010 1.908 -8.611 1.00 0.00 C ATOM 262 O LEU A 18 -3.749 1.808 -7.412 1.00 0.00 O ATOM 263 CB LEU A 18 -3.340 -0.421 -9.224 1.00 0.00 C ATOM 264 CG LEU A 18 -4.681 -1.115 -9.460 1.00 0.00 C ATOM 265 CD1 LEU A 18 -4.953 -1.238 -10.950 1.00 0.00 C ATOM 266 CD2 LEU A 18 -4.699 -2.484 -8.795 1.00 0.00 C ATOM 0 H LEU A 18 -1.321 1.163 -8.946 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.759 1.156 -10.608 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -2.568 -0.963 -9.770 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.093 -0.496 -8.165 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.470 -0.510 -9.013 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.911 -1.734 -11.105 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.982 -0.245 -11.398 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.161 -1.824 -11.417 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.662 -2.963 -8.974 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -3.903 -3.102 -9.212 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.545 -2.369 -7.722 1.00 0.00 H new ATOM 278 N VAL A 19 -4.932 2.736 -9.071 1.00 0.00 N ATOM 279 CA VAL A 19 -5.551 3.718 -8.201 1.00 0.00 C ATOM 280 C VAL A 19 -6.898 3.223 -7.715 1.00 0.00 C ATOM 281 O VAL A 19 -7.851 3.097 -8.485 1.00 0.00 O ATOM 282 CB VAL A 19 -5.723 5.072 -8.918 1.00 0.00 C ATOM 283 CG1 VAL A 19 -6.300 6.119 -7.979 1.00 0.00 C ATOM 284 CG2 VAL A 19 -4.397 5.540 -9.492 1.00 0.00 C ATOM 0 H VAL A 19 -5.266 2.748 -10.035 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.891 3.862 -7.346 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.427 4.934 -9.738 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.410 7.064 -8.511 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.275 5.788 -7.620 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.629 6.257 -7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.536 6.497 -9.995 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.672 5.655 -8.686 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.030 4.804 -10.208 1.00 0.00 H new ATOM 294 N THR A 20 -6.963 2.926 -6.429 1.00 0.00 N ATOM 295 CA THR A 20 -8.167 2.364 -5.850 1.00 0.00 C ATOM 296 C THR A 20 -8.849 3.365 -4.922 1.00 0.00 C ATOM 297 O THR A 20 -8.205 4.001 -4.088 1.00 0.00 O ATOM 298 CB THR A 20 -7.845 1.073 -5.081 1.00 0.00 C ATOM 299 OG1 THR A 20 -6.964 0.263 -5.867 1.00 0.00 O ATOM 300 CG2 THR A 20 -9.113 0.289 -4.780 1.00 0.00 C ATOM 0 H THR A 20 -6.198 3.065 -5.769 1.00 0.00 H new ATOM 0 HA THR A 20 -8.850 2.129 -6.666 1.00 0.00 H new ATOM 0 HB THR A 20 -7.370 1.340 -4.137 1.00 0.00 H new ATOM 0 HG1 THR A 20 -7.225 -0.678 -5.785 1.00 0.00 H new ATOM 0 HG21 THR A 20 -8.858 -0.620 -4.235 1.00 0.00 H new ATOM 0 HG22 THR A 20 -9.783 0.899 -4.174 1.00 0.00 H new ATOM 0 HG23 THR A 20 -9.608 0.025 -5.715 1.00 0.00 H new ATOM 308 N LYS A 21 -10.155 3.526 -5.088 1.00 0.00 N ATOM 309 CA LYS A 21 -10.923 4.420 -4.233 1.00 0.00 C ATOM 310 C LYS A 21 -11.709 3.626 -3.197 1.00 0.00 C ATOM 311 O LYS A 21 -12.269 4.187 -2.257 1.00 0.00 O ATOM 312 CB LYS A 21 -11.860 5.292 -5.075 1.00 0.00 C ATOM 313 CG LYS A 21 -11.122 6.165 -6.080 1.00 0.00 C ATOM 314 CD LYS A 21 -10.052 7.004 -5.400 1.00 0.00 C ATOM 315 CE LYS A 21 -9.261 7.828 -6.401 1.00 0.00 C ATOM 316 NZ LYS A 21 -8.142 8.561 -5.752 1.00 0.00 N ATOM 0 H LYS A 21 -10.703 3.051 -5.805 1.00 0.00 H new ATOM 0 HA LYS A 21 -10.229 5.074 -3.705 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.563 4.651 -5.607 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -12.447 5.928 -4.413 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.664 5.537 -6.844 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.831 6.818 -6.588 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.518 7.667 -4.671 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -9.374 6.352 -4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.865 7.174 -7.178 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -9.925 8.539 -6.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.595 9.071 -6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.525 9.240 -5.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -7.522 7.885 -5.262 1.00 0.00 H new ATOM 330 N GLU A 22 -11.733 2.314 -3.372 1.00 0.00 N ATOM 331 CA GLU A 22 -12.385 1.429 -2.423 1.00 0.00 C ATOM 332 C GLU A 22 -11.337 0.850 -1.480 1.00 0.00 C ATOM 333 O GLU A 22 -10.143 0.877 -1.781 1.00 0.00 O ATOM 334 CB GLU A 22 -13.122 0.306 -3.167 1.00 0.00 C ATOM 335 CG GLU A 22 -14.001 -0.567 -2.280 1.00 0.00 C ATOM 336 CD GLU A 22 -14.992 0.236 -1.464 1.00 0.00 C ATOM 337 OE1 GLU A 22 -14.635 0.653 -0.341 1.00 0.00 O ATOM 338 OE2 GLU A 22 -16.130 0.443 -1.937 1.00 0.00 O ATOM 0 H GLU A 22 -11.306 1.838 -4.167 1.00 0.00 H new ATOM 0 HA GLU A 22 -13.118 1.989 -1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -13.741 0.749 -3.947 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.387 -0.327 -3.664 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.542 -1.280 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.369 -1.147 -1.607 1.00 0.00 H new ATOM 345 N TYR A 23 -11.774 0.339 -0.346 1.00 0.00 N ATOM 346 CA TYR A 23 -10.856 -0.211 0.640 1.00 0.00 C ATOM 347 C TYR A 23 -10.739 -1.721 0.475 1.00 0.00 C ATOM 348 O TYR A 23 -11.719 -2.393 0.160 1.00 0.00 O ATOM 349 CB TYR A 23 -11.319 0.142 2.055 1.00 0.00 C ATOM 350 CG TYR A 23 -11.548 1.624 2.259 1.00 0.00 C ATOM 351 CD1 TYR A 23 -10.653 2.559 1.754 1.00 0.00 C ATOM 352 CD2 TYR A 23 -12.668 2.088 2.939 1.00 0.00 C ATOM 353 CE1 TYR A 23 -10.862 3.913 1.925 1.00 0.00 C ATOM 354 CE2 TYR A 23 -12.885 3.442 3.112 1.00 0.00 C ATOM 355 CZ TYR A 23 -11.979 4.351 2.603 1.00 0.00 C ATOM 356 OH TYR A 23 -12.191 5.701 2.771 1.00 0.00 O ATOM 0 H TYR A 23 -12.758 0.292 -0.082 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.871 0.229 0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -12.243 -0.394 2.272 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -10.574 -0.205 2.771 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.778 2.221 1.218 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -13.379 1.380 3.338 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -10.153 4.626 1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -13.760 3.788 3.643 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.023 5.842 3.269 1.00 0.00 H new ATOM 366 N ILE A 24 -9.532 -2.244 0.655 1.00 0.00 N ATOM 367 CA ILE A 24 -9.285 -3.674 0.519 1.00 0.00 C ATOM 368 C ILE A 24 -8.893 -4.261 1.868 1.00 0.00 C ATOM 369 O ILE A 24 -8.048 -3.700 2.573 1.00 0.00 O ATOM 370 CB ILE A 24 -8.171 -3.982 -0.524 1.00 0.00 C ATOM 371 CG1 ILE A 24 -8.663 -3.746 -1.954 1.00 0.00 C ATOM 372 CG2 ILE A 24 -7.668 -5.415 -0.385 1.00 0.00 C ATOM 373 CD1 ILE A 24 -8.829 -2.291 -2.326 1.00 0.00 C ATOM 0 H ILE A 24 -8.706 -1.696 0.896 1.00 0.00 H new ATOM 0 HA ILE A 24 -10.208 -4.131 0.163 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.347 -3.297 -0.322 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.960 -4.208 -2.648 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -9.619 -4.253 -2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.891 -5.601 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.259 -5.562 0.615 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -8.494 -6.108 -0.544 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.180 -2.216 -3.355 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.555 -1.826 -1.660 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.871 -1.780 -2.232 1.00 0.00 H new ATOM 385 N SER A 25 -9.509 -5.378 2.221 1.00 0.00 N ATOM 386 CA SER A 25 -9.249 -6.019 3.495 1.00 0.00 C ATOM 387 C SER A 25 -7.944 -6.808 3.446 1.00 0.00 C ATOM 388 O SER A 25 -7.818 -7.790 2.706 1.00 0.00 O ATOM 389 CB SER A 25 -10.423 -6.929 3.888 1.00 0.00 C ATOM 390 OG SER A 25 -10.714 -7.882 2.876 1.00 0.00 O ATOM 0 H SER A 25 -10.195 -5.859 1.639 1.00 0.00 H new ATOM 0 HA SER A 25 -9.147 -5.245 4.255 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.186 -7.447 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.307 -6.320 4.079 1.00 0.00 H new ATOM 0 HG SER A 25 -10.846 -7.421 2.021 1.00 0.00 H new ATOM 396 N PHE A 26 -6.971 -6.374 4.243 1.00 0.00 N ATOM 397 CA PHE A 26 -5.673 -7.041 4.314 1.00 0.00 C ATOM 398 C PHE A 26 -5.785 -8.402 4.993 1.00 0.00 C ATOM 399 O PHE A 26 -4.815 -9.156 5.056 1.00 0.00 O ATOM 400 CB PHE A 26 -4.662 -6.173 5.062 1.00 0.00 C ATOM 401 CG PHE A 26 -4.175 -4.988 4.281 1.00 0.00 C ATOM 402 CD1 PHE A 26 -3.366 -5.163 3.170 1.00 0.00 C ATOM 403 CD2 PHE A 26 -4.511 -3.700 4.665 1.00 0.00 C ATOM 404 CE1 PHE A 26 -2.901 -4.076 2.457 1.00 0.00 C ATOM 405 CE2 PHE A 26 -4.049 -2.609 3.954 1.00 0.00 C ATOM 406 CZ PHE A 26 -3.241 -2.798 2.848 1.00 0.00 C ATOM 0 H PHE A 26 -7.057 -5.560 4.851 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.327 -7.193 3.292 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -5.116 -5.822 5.989 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.806 -6.788 5.339 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.096 -6.161 2.858 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -5.141 -3.547 5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.271 -4.227 1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.319 -1.610 4.262 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.877 -1.947 2.292 1.00 0.00 H new ATOM 416 N LEU A 27 -6.969 -8.699 5.513 1.00 0.00 N ATOM 417 CA LEU A 27 -7.238 -10.001 6.108 1.00 0.00 C ATOM 418 C LEU A 27 -7.161 -11.080 5.026 1.00 0.00 C ATOM 419 O LEU A 27 -6.785 -12.222 5.291 1.00 0.00 O ATOM 420 CB LEU A 27 -8.623 -9.981 6.777 1.00 0.00 C ATOM 421 CG LEU A 27 -8.888 -11.053 7.848 1.00 0.00 C ATOM 422 CD1 LEU A 27 -9.072 -12.428 7.229 1.00 0.00 C ATOM 423 CD2 LEU A 27 -7.763 -11.080 8.868 1.00 0.00 C ATOM 0 H LEU A 27 -7.759 -8.055 5.535 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.493 -10.227 6.871 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.767 -9.001 7.233 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.379 -10.084 5.998 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.816 -10.788 8.354 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.257 -13.159 8.016 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.920 -12.408 6.545 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.171 -12.704 6.682 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.969 -11.845 9.617 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.822 -11.308 8.366 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.689 -10.107 9.354 1.00 0.00 H new ATOM 435 N GLY A 28 -7.503 -10.702 3.802 1.00 0.00 N ATOM 436 CA GLY A 28 -7.439 -11.637 2.702 1.00 0.00 C ATOM 437 C GLY A 28 -8.520 -11.394 1.673 1.00 0.00 C ATOM 438 O GLY A 28 -9.247 -12.311 1.298 1.00 0.00 O ATOM 0 H GLY A 28 -7.823 -9.766 3.554 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -6.463 -11.564 2.223 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.530 -12.653 3.087 1.00 0.00 H new ATOM 442 N GLY A 29 -8.625 -10.155 1.210 1.00 0.00 N ATOM 443 CA GLY A 29 -9.617 -9.818 0.206 1.00 0.00 C ATOM 444 C GLY A 29 -9.083 -9.982 -1.203 1.00 0.00 C ATOM 445 O GLY A 29 -9.613 -9.399 -2.149 1.00 0.00 O ATOM 0 H GLY A 29 -8.040 -9.376 1.512 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -10.494 -10.452 0.337 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.944 -8.788 0.352 1.00 0.00 H new ATOM 449 N ILE A 30 -8.033 -10.781 -1.340 1.00 0.00 N ATOM 450 CA ILE A 30 -7.402 -11.024 -2.629 1.00 0.00 C ATOM 451 C ILE A 30 -7.220 -12.524 -2.845 1.00 0.00 C ATOM 452 O ILE A 30 -6.842 -13.246 -1.923 1.00 0.00 O ATOM 453 CB ILE A 30 -6.022 -10.329 -2.721 1.00 0.00 C ATOM 454 CG1 ILE A 30 -6.145 -8.843 -2.371 1.00 0.00 C ATOM 455 CG2 ILE A 30 -5.435 -10.496 -4.116 1.00 0.00 C ATOM 456 CD1 ILE A 30 -4.821 -8.108 -2.343 1.00 0.00 C ATOM 0 H ILE A 30 -7.596 -11.277 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 30 -8.052 -10.611 -3.400 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.351 -10.800 -2.002 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.801 -8.362 -3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -6.623 -8.748 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.465 -10.002 -4.164 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.313 -11.557 -4.335 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.107 -10.049 -4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.991 -7.062 -2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.169 -8.562 -1.597 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.349 -8.170 -3.324 1.00 0.00 H new ATOM 468 N ASP A 31 -7.520 -12.992 -4.049 1.00 0.00 N ATOM 469 CA ASP A 31 -7.313 -14.392 -4.405 1.00 0.00 C ATOM 470 C ASP A 31 -5.823 -14.677 -4.489 1.00 0.00 C ATOM 471 O ASP A 31 -5.108 -14.027 -5.246 1.00 0.00 O ATOM 472 CB ASP A 31 -7.980 -14.708 -5.745 1.00 0.00 C ATOM 473 CG ASP A 31 -8.001 -16.188 -6.052 1.00 0.00 C ATOM 474 OD1 ASP A 31 -8.930 -16.880 -5.580 1.00 0.00 O ATOM 475 OD2 ASP A 31 -7.100 -16.663 -6.778 1.00 0.00 O ATOM 0 H ASP A 31 -7.909 -12.421 -4.799 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.763 -15.023 -3.638 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -9.002 -14.329 -5.736 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.452 -14.183 -6.541 1.00 0.00 H new ATOM 480 N LYS A 32 -5.362 -15.653 -3.728 1.00 0.00 N ATOM 481 CA LYS A 32 -3.931 -15.885 -3.581 1.00 0.00 C ATOM 482 C LYS A 32 -3.356 -16.637 -4.778 1.00 0.00 C ATOM 483 O LYS A 32 -2.139 -16.719 -4.941 1.00 0.00 O ATOM 484 CB LYS A 32 -3.652 -16.645 -2.279 1.00 0.00 C ATOM 485 CG LYS A 32 -4.076 -18.106 -2.300 1.00 0.00 C ATOM 486 CD LYS A 32 -4.700 -18.525 -0.979 1.00 0.00 C ATOM 487 CE LYS A 32 -6.113 -17.978 -0.842 1.00 0.00 C ATOM 488 NZ LYS A 32 -7.045 -18.600 -1.823 1.00 0.00 N ATOM 0 H LYS A 32 -5.953 -16.297 -3.203 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.436 -14.915 -3.539 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.585 -16.592 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.168 -16.142 -1.461 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -4.790 -18.267 -3.108 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -3.210 -18.734 -2.510 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.720 -19.613 -0.912 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.086 -18.166 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.476 -18.159 0.170 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.100 -16.898 -0.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -8.018 -18.291 -1.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.781 -18.308 -2.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.988 -19.636 -1.748 1.00 0.00 H new ATOM 502 N GLU A 33 -4.228 -17.177 -5.618 1.00 0.00 N ATOM 503 CA GLU A 33 -3.786 -17.930 -6.777 1.00 0.00 C ATOM 504 C GLU A 33 -3.714 -17.044 -8.018 1.00 0.00 C ATOM 505 O GLU A 33 -2.771 -17.144 -8.806 1.00 0.00 O ATOM 506 CB GLU A 33 -4.706 -19.127 -7.031 1.00 0.00 C ATOM 507 CG GLU A 33 -4.818 -20.070 -5.843 1.00 0.00 C ATOM 508 CD GLU A 33 -6.101 -19.880 -5.059 1.00 0.00 C ATOM 509 OE1 GLU A 33 -6.212 -18.891 -4.305 1.00 0.00 O ATOM 510 OE2 GLU A 33 -7.004 -20.733 -5.191 1.00 0.00 O ATOM 0 H GLU A 33 -5.241 -17.107 -5.517 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.783 -18.301 -6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.700 -18.762 -7.290 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.336 -19.683 -7.892 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.763 -21.100 -6.196 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.967 -19.914 -5.180 1.00 0.00 H new ATOM 517 N THR A 34 -4.701 -16.174 -8.189 1.00 0.00 N ATOM 518 CA THR A 34 -4.765 -15.323 -9.374 1.00 0.00 C ATOM 519 C THR A 34 -4.324 -13.887 -9.087 1.00 0.00 C ATOM 520 O THR A 34 -3.670 -13.254 -9.918 1.00 0.00 O ATOM 521 CB THR A 34 -6.187 -15.306 -9.962 1.00 0.00 C ATOM 522 OG1 THR A 34 -7.137 -15.031 -8.927 1.00 0.00 O ATOM 523 CG2 THR A 34 -6.514 -16.635 -10.626 1.00 0.00 C ATOM 0 H THR A 34 -5.465 -16.038 -7.527 1.00 0.00 H new ATOM 0 HA THR A 34 -4.072 -15.753 -10.097 1.00 0.00 H new ATOM 0 HB THR A 34 -6.238 -14.523 -10.718 1.00 0.00 H new ATOM 0 HG1 THR A 34 -7.236 -15.821 -8.356 1.00 0.00 H new ATOM 0 HG21 THR A 34 -7.524 -16.599 -11.034 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.804 -16.824 -11.431 1.00 0.00 H new ATOM 0 HG23 THR A 34 -6.449 -17.436 -9.889 1.00 0.00 H new ATOM 531 N GLY A 35 -4.666 -13.382 -7.909 1.00 0.00 N ATOM 532 CA GLY A 35 -4.381 -11.996 -7.588 1.00 0.00 C ATOM 533 C GLY A 35 -5.581 -11.102 -7.835 1.00 0.00 C ATOM 534 O GLY A 35 -5.452 -9.878 -7.926 1.00 0.00 O ATOM 0 H GLY A 35 -5.135 -13.906 -7.170 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.080 -11.919 -6.543 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.540 -11.649 -8.188 1.00 0.00 H new ATOM 538 N ILE A 36 -6.747 -11.724 -7.959 1.00 0.00 N ATOM 539 CA ILE A 36 -7.999 -11.004 -8.151 1.00 0.00 C ATOM 540 C ILE A 36 -8.644 -10.720 -6.799 1.00 0.00 C ATOM 541 O ILE A 36 -8.800 -11.627 -5.987 1.00 0.00 O ATOM 542 CB ILE A 36 -8.991 -11.827 -9.009 1.00 0.00 C ATOM 543 CG1 ILE A 36 -8.375 -12.178 -10.367 1.00 0.00 C ATOM 544 CG2 ILE A 36 -10.302 -11.073 -9.196 1.00 0.00 C ATOM 545 CD1 ILE A 36 -8.044 -10.974 -11.224 1.00 0.00 C ATOM 0 H ILE A 36 -6.851 -12.738 -7.929 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.772 -10.071 -8.667 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.204 -12.755 -8.479 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.465 -12.755 -10.203 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.066 -12.820 -10.913 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.983 -11.671 -9.802 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.754 -10.883 -8.223 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.108 -10.125 -9.697 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.612 -11.307 -12.168 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.954 -10.407 -11.421 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.328 -10.341 -10.701 1.00 0.00 H new ATOM 557 N VAL A 37 -9.005 -9.468 -6.548 1.00 0.00 N ATOM 558 CA VAL A 37 -9.689 -9.114 -5.304 1.00 0.00 C ATOM 559 C VAL A 37 -11.045 -9.815 -5.208 1.00 0.00 C ATOM 560 O VAL A 37 -11.753 -9.964 -6.202 1.00 0.00 O ATOM 561 CB VAL A 37 -9.884 -7.590 -5.153 1.00 0.00 C ATOM 562 CG1 VAL A 37 -8.567 -6.905 -4.830 1.00 0.00 C ATOM 563 CG2 VAL A 37 -10.490 -6.995 -6.412 1.00 0.00 C ATOM 0 H VAL A 37 -8.839 -8.685 -7.180 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.046 -9.452 -4.491 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.573 -7.423 -4.325 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.730 -5.832 -4.728 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -8.170 -7.302 -3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.854 -7.089 -5.634 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -10.618 -5.920 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.828 -7.182 -7.258 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.460 -7.455 -6.602 1.00 0.00 H new ATOM 573 N LYS A 38 -11.394 -10.242 -4.003 1.00 0.00 N ATOM 574 CA LYS A 38 -12.605 -11.027 -3.782 1.00 0.00 C ATOM 575 C LYS A 38 -13.757 -10.133 -3.342 1.00 0.00 C ATOM 576 O LYS A 38 -14.885 -10.587 -3.146 1.00 0.00 O ATOM 577 CB LYS A 38 -12.356 -12.079 -2.699 1.00 0.00 C ATOM 578 CG LYS A 38 -11.038 -12.831 -2.844 1.00 0.00 C ATOM 579 CD LYS A 38 -10.986 -13.682 -4.102 1.00 0.00 C ATOM 580 CE LYS A 38 -11.776 -14.969 -3.952 1.00 0.00 C ATOM 581 NZ LYS A 38 -11.661 -15.827 -5.161 1.00 0.00 N ATOM 0 H LYS A 38 -10.854 -10.058 -3.158 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.867 -11.513 -4.722 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -12.377 -11.592 -1.724 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -13.175 -12.799 -2.713 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.216 -12.116 -2.859 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.890 -13.468 -1.972 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -11.380 -13.111 -4.942 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.948 -13.919 -4.336 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.417 -15.517 -3.081 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.825 -14.734 -3.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.305 -16.639 -5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.914 -15.274 -6.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.683 -16.169 -5.252 1.00 0.00 H new ATOM 595 N GLU A 39 -13.446 -8.867 -3.170 1.00 0.00 N ATOM 596 CA GLU A 39 -14.396 -7.896 -2.659 1.00 0.00 C ATOM 597 C GLU A 39 -15.146 -7.193 -3.789 1.00 0.00 C ATOM 598 O GLU A 39 -14.674 -7.145 -4.924 1.00 0.00 O ATOM 599 CB GLU A 39 -13.652 -6.883 -1.806 1.00 0.00 C ATOM 600 CG GLU A 39 -12.983 -7.497 -0.590 1.00 0.00 C ATOM 601 CD GLU A 39 -12.183 -6.484 0.191 1.00 0.00 C ATOM 602 OE1 GLU A 39 -12.728 -5.402 0.484 1.00 0.00 O ATOM 603 OE2 GLU A 39 -11.006 -6.754 0.489 1.00 0.00 O ATOM 0 H GLU A 39 -12.527 -8.479 -3.380 1.00 0.00 H new ATOM 0 HA GLU A 39 -15.139 -8.417 -2.056 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.896 -6.389 -2.417 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -14.350 -6.113 -1.478 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -13.742 -7.936 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.328 -8.308 -0.908 1.00 0.00 H new ATOM 610 N ASP A 40 -16.304 -6.630 -3.462 1.00 0.00 N ATOM 611 CA ASP A 40 -17.153 -5.985 -4.461 1.00 0.00 C ATOM 612 C ASP A 40 -16.863 -4.491 -4.584 1.00 0.00 C ATOM 613 O ASP A 40 -16.629 -3.798 -3.590 1.00 0.00 O ATOM 614 CB ASP A 40 -18.634 -6.187 -4.125 1.00 0.00 C ATOM 615 CG ASP A 40 -19.553 -5.491 -5.118 1.00 0.00 C ATOM 616 OD1 ASP A 40 -19.828 -6.071 -6.186 1.00 0.00 O ATOM 617 OD2 ASP A 40 -20.002 -4.360 -4.837 1.00 0.00 O ATOM 0 H ASP A 40 -16.678 -6.606 -2.513 1.00 0.00 H new ATOM 0 HA ASP A 40 -16.925 -6.456 -5.417 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -18.859 -7.253 -4.112 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -18.832 -5.807 -3.123 1.00 0.00 H new ATOM 622 N CYS A 41 -16.863 -4.024 -5.826 1.00 0.00 N ATOM 623 CA CYS A 41 -16.769 -2.609 -6.165 1.00 0.00 C ATOM 624 C CYS A 41 -16.822 -2.493 -7.680 1.00 0.00 C ATOM 625 O CYS A 41 -16.723 -3.506 -8.372 1.00 0.00 O ATOM 626 CB CYS A 41 -15.478 -1.981 -5.621 1.00 0.00 C ATOM 627 SG CYS A 41 -15.361 -0.192 -5.857 1.00 0.00 S ATOM 0 H CYS A 41 -16.930 -4.631 -6.643 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.597 -2.067 -5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -15.402 -2.201 -4.556 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -14.625 -2.456 -6.106 1.00 0.00 H new ATOM 0 HG CYS A 41 -14.112 0.149 -5.978 1.00 0.00 H new ATOM 633 N GLU A 42 -16.982 -1.284 -8.203 1.00 0.00 N ATOM 634 CA GLU A 42 -17.058 -1.094 -9.647 1.00 0.00 C ATOM 635 C GLU A 42 -15.707 -1.392 -10.296 1.00 0.00 C ATOM 636 O GLU A 42 -15.638 -1.947 -11.394 1.00 0.00 O ATOM 637 CB GLU A 42 -17.508 0.332 -9.985 1.00 0.00 C ATOM 638 CG GLU A 42 -17.757 0.556 -11.469 1.00 0.00 C ATOM 639 CD GLU A 42 -18.205 1.967 -11.788 1.00 0.00 C ATOM 640 OE1 GLU A 42 -17.335 2.842 -11.974 1.00 0.00 O ATOM 641 OE2 GLU A 42 -19.431 2.205 -11.864 1.00 0.00 O ATOM 0 H GLU A 42 -17.061 -0.427 -7.655 1.00 0.00 H new ATOM 0 HA GLU A 42 -17.797 -1.790 -10.044 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -18.421 0.556 -9.434 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -16.748 1.035 -9.642 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -16.844 0.337 -12.022 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -18.515 -0.147 -11.815 1.00 0.00 H new ATOM 648 N ILE A 43 -14.633 -1.039 -9.598 1.00 0.00 N ATOM 649 CA ILE A 43 -13.285 -1.251 -10.109 1.00 0.00 C ATOM 650 C ILE A 43 -12.623 -2.460 -9.455 1.00 0.00 C ATOM 651 O ILE A 43 -11.416 -2.664 -9.580 1.00 0.00 O ATOM 652 CB ILE A 43 -12.393 -0.011 -9.896 1.00 0.00 C ATOM 653 CG1 ILE A 43 -12.380 0.399 -8.418 1.00 0.00 C ATOM 654 CG2 ILE A 43 -12.868 1.142 -10.774 1.00 0.00 C ATOM 655 CD1 ILE A 43 -11.430 1.538 -8.110 1.00 0.00 C ATOM 0 H ILE A 43 -14.671 -0.604 -8.676 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.387 -1.434 -11.179 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.373 -0.265 -10.185 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -13.388 0.688 -8.122 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -12.105 -0.465 -7.813 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.229 2.010 -10.612 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -12.819 0.845 -11.822 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.896 1.396 -10.516 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -11.475 1.772 -7.046 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -10.414 1.246 -8.374 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -11.716 2.417 -8.688 1.00 0.00 H new ATOM 667 N LYS A 44 -13.410 -3.260 -8.752 1.00 0.00 N ATOM 668 CA LYS A 44 -12.905 -4.467 -8.146 1.00 0.00 C ATOM 669 C LYS A 44 -13.251 -5.668 -9.013 1.00 0.00 C ATOM 670 O LYS A 44 -14.283 -5.686 -9.681 1.00 0.00 O ATOM 671 CB LYS A 44 -13.472 -4.629 -6.739 1.00 0.00 C ATOM 672 CG LYS A 44 -12.580 -4.046 -5.649 1.00 0.00 C ATOM 673 CD LYS A 44 -13.152 -4.285 -4.258 1.00 0.00 C ATOM 674 CE LYS A 44 -12.210 -3.767 -3.183 1.00 0.00 C ATOM 675 NZ LYS A 44 -12.803 -3.837 -1.817 1.00 0.00 N ATOM 0 H LYS A 44 -14.402 -3.088 -8.591 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.820 -4.400 -8.068 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.449 -4.148 -6.693 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -13.629 -5.689 -6.540 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -11.588 -4.492 -5.715 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.460 -2.975 -5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -14.119 -3.789 -4.169 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.326 -5.351 -4.111 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.287 -4.347 -3.204 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -11.943 -2.734 -3.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.520 -2.998 -1.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -13.840 -3.869 -1.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.463 -4.693 -1.335 1.00 0.00 H new ATOM 689 N GLY A 45 -12.376 -6.658 -9.003 1.00 0.00 N ATOM 690 CA GLY A 45 -12.538 -7.811 -9.865 1.00 0.00 C ATOM 691 C GLY A 45 -11.379 -7.943 -10.828 1.00 0.00 C ATOM 692 O GLY A 45 -11.353 -8.843 -11.667 1.00 0.00 O ATOM 0 H GLY A 45 -11.548 -6.685 -8.408 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.615 -8.713 -9.259 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.470 -7.722 -10.424 1.00 0.00 H new ATOM 696 N GLU A 46 -10.419 -7.032 -10.709 1.00 0.00 N ATOM 697 CA GLU A 46 -9.233 -7.063 -11.549 1.00 0.00 C ATOM 698 C GLU A 46 -8.008 -7.475 -10.741 1.00 0.00 C ATOM 699 O GLU A 46 -8.102 -7.738 -9.539 1.00 0.00 O ATOM 700 CB GLU A 46 -9.007 -5.706 -12.218 1.00 0.00 C ATOM 701 CG GLU A 46 -10.164 -5.276 -13.102 1.00 0.00 C ATOM 702 CD GLU A 46 -9.766 -4.228 -14.116 1.00 0.00 C ATOM 703 OE1 GLU A 46 -9.018 -4.566 -15.058 1.00 0.00 O ATOM 704 OE2 GLU A 46 -10.219 -3.071 -13.999 1.00 0.00 O ATOM 0 H GLU A 46 -10.441 -6.264 -10.038 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.391 -7.806 -12.330 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.846 -4.951 -11.449 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.097 -5.750 -12.817 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.561 -6.147 -13.623 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.967 -4.885 -12.477 1.00 0.00 H new ATOM 711 N SER A 47 -6.864 -7.524 -11.406 1.00 0.00 N ATOM 712 CA SER A 47 -5.650 -8.063 -10.812 1.00 0.00 C ATOM 713 C SER A 47 -4.816 -6.978 -10.135 1.00 0.00 C ATOM 714 O SER A 47 -4.587 -5.908 -10.701 1.00 0.00 O ATOM 715 CB SER A 47 -4.815 -8.747 -11.897 1.00 0.00 C ATOM 716 OG SER A 47 -5.625 -9.578 -12.711 1.00 0.00 O ATOM 0 H SER A 47 -6.751 -7.194 -12.365 1.00 0.00 H new ATOM 0 HA SER A 47 -5.942 -8.783 -10.047 1.00 0.00 H new ATOM 0 HB2 SER A 47 -4.325 -7.993 -12.514 1.00 0.00 H new ATOM 0 HB3 SER A 47 -4.027 -9.341 -11.434 1.00 0.00 H new ATOM 0 HG SER A 47 -5.071 -10.003 -13.398 1.00 0.00 H new ATOM 722 N VAL A 48 -4.356 -7.267 -8.922 1.00 0.00 N ATOM 723 CA VAL A 48 -3.444 -6.372 -8.213 1.00 0.00 C ATOM 724 C VAL A 48 -2.013 -6.899 -8.311 1.00 0.00 C ATOM 725 O VAL A 48 -1.081 -6.332 -7.737 1.00 0.00 O ATOM 726 CB VAL A 48 -3.831 -6.217 -6.726 1.00 0.00 C ATOM 727 CG1 VAL A 48 -5.222 -5.616 -6.593 1.00 0.00 C ATOM 728 CG2 VAL A 48 -3.754 -7.553 -6.002 1.00 0.00 C ATOM 0 H VAL A 48 -4.599 -8.114 -8.408 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.515 -5.392 -8.686 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.117 -5.538 -6.261 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.475 -5.515 -5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.241 -4.634 -7.066 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.948 -6.267 -7.080 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.031 -7.417 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.439 -8.260 -6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.737 -7.940 -6.060 1.00 0.00 H new ATOM 738 N ALA A 49 -1.860 -7.978 -9.072 1.00 0.00 N ATOM 739 CA ALA A 49 -0.605 -8.687 -9.202 1.00 0.00 C ATOM 740 C ALA A 49 0.429 -7.843 -9.919 1.00 0.00 C ATOM 741 O ALA A 49 0.406 -7.688 -11.141 1.00 0.00 O ATOM 742 CB ALA A 49 -0.819 -10.006 -9.930 1.00 0.00 C ATOM 0 H ALA A 49 -2.618 -8.385 -9.620 1.00 0.00 H new ATOM 0 HA ALA A 49 -0.227 -8.896 -8.201 1.00 0.00 H new ATOM 0 HB1 ALA A 49 0.133 -10.530 -10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -1.520 -10.623 -9.367 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.223 -9.812 -10.924 1.00 0.00 H new ATOM 748 N GLY A 50 1.293 -7.257 -9.131 1.00 0.00 N ATOM 749 CA GLY A 50 2.426 -6.540 -9.665 1.00 0.00 C ATOM 750 C GLY A 50 2.117 -5.090 -9.962 1.00 0.00 C ATOM 751 O GLY A 50 2.819 -4.446 -10.737 1.00 0.00 O ATOM 0 H GLY A 50 1.235 -7.261 -8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.251 -6.592 -8.954 1.00 0.00 H new ATOM 0 HA3 GLY A 50 2.762 -7.030 -10.579 1.00 0.00 H new ATOM 755 N ARG A 51 1.067 -4.571 -9.350 1.00 0.00 N ATOM 756 CA ARG A 51 0.687 -3.180 -9.551 1.00 0.00 C ATOM 757 C ARG A 51 0.941 -2.390 -8.275 1.00 0.00 C ATOM 758 O ARG A 51 0.997 -2.969 -7.191 1.00 0.00 O ATOM 759 CB ARG A 51 -0.792 -3.087 -9.949 1.00 0.00 C ATOM 760 CG ARG A 51 -1.183 -4.057 -11.054 1.00 0.00 C ATOM 761 CD ARG A 51 -0.379 -3.819 -12.323 1.00 0.00 C ATOM 762 NE ARG A 51 -0.095 -5.070 -13.025 1.00 0.00 N ATOM 763 CZ ARG A 51 -0.034 -5.189 -14.351 1.00 0.00 C ATOM 764 NH1 ARG A 51 -0.305 -4.148 -15.133 1.00 0.00 N ATOM 765 NH2 ARG A 51 0.277 -6.360 -14.898 1.00 0.00 N ATOM 0 H ARG A 51 0.463 -5.088 -8.711 1.00 0.00 H new ATOM 0 HA ARG A 51 1.289 -2.758 -10.356 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -1.409 -3.280 -9.072 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.010 -2.070 -10.275 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -1.028 -5.080 -10.712 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.246 -3.951 -11.272 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.930 -3.148 -12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.558 -3.321 -12.072 1.00 0.00 H new ATOM 0 HE ARG A 51 0.067 -5.906 -12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.561 -3.252 -14.719 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.256 -4.246 -16.147 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.469 -7.166 -14.303 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.324 -6.452 -15.913 1.00 0.00 H new ATOM 779 N ILE A 52 1.133 -1.085 -8.399 1.00 0.00 N ATOM 780 CA ILE A 52 1.280 -0.237 -7.223 1.00 0.00 C ATOM 781 C ILE A 52 -0.098 0.160 -6.712 1.00 0.00 C ATOM 782 O ILE A 52 -0.785 0.978 -7.316 1.00 0.00 O ATOM 783 CB ILE A 52 2.146 1.025 -7.501 1.00 0.00 C ATOM 784 CG1 ILE A 52 3.638 0.671 -7.542 1.00 0.00 C ATOM 785 CG2 ILE A 52 1.902 2.094 -6.442 1.00 0.00 C ATOM 786 CD1 ILE A 52 4.031 -0.278 -8.649 1.00 0.00 C ATOM 0 H ILE A 52 1.190 -0.593 -9.291 1.00 0.00 H new ATOM 0 HA ILE A 52 1.807 -0.812 -6.461 1.00 0.00 H new ATOM 0 HB ILE A 52 1.852 1.417 -8.475 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.213 1.591 -7.649 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.919 0.229 -6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.518 2.967 -6.657 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.851 2.381 -6.450 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.162 1.699 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.103 -0.471 -8.600 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.488 -1.216 -8.534 1.00 0.00 H new ATOM 0 HD13 ILE A 52 3.786 0.167 -9.614 1.00 0.00 H new ATOM 798 N LEU A 53 -0.504 -0.450 -5.614 1.00 0.00 N ATOM 799 CA LEU A 53 -1.843 -0.262 -5.084 1.00 0.00 C ATOM 800 C LEU A 53 -1.914 1.017 -4.258 1.00 0.00 C ATOM 801 O LEU A 53 -1.103 1.223 -3.354 1.00 0.00 O ATOM 802 CB LEU A 53 -2.233 -1.468 -4.223 1.00 0.00 C ATOM 803 CG LEU A 53 -3.692 -1.511 -3.772 1.00 0.00 C ATOM 804 CD1 LEU A 53 -4.615 -1.645 -4.970 1.00 0.00 C ATOM 805 CD2 LEU A 53 -3.908 -2.661 -2.800 1.00 0.00 C ATOM 0 H LEU A 53 0.079 -1.085 -5.068 1.00 0.00 H new ATOM 0 HA LEU A 53 -2.542 -0.175 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.018 -2.377 -4.784 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.597 -1.481 -3.338 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.927 -0.577 -3.262 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.650 -1.674 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.475 -0.792 -5.634 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.383 -2.565 -5.507 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.952 -2.681 -2.486 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.658 -3.603 -3.289 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.269 -2.525 -1.927 1.00 0.00 H new ATOM 817 N VAL A 54 -2.867 1.887 -4.573 1.00 0.00 N ATOM 818 CA VAL A 54 -3.037 3.110 -3.806 1.00 0.00 C ATOM 819 C VAL A 54 -4.491 3.318 -3.382 1.00 0.00 C ATOM 820 O VAL A 54 -5.366 3.616 -4.198 1.00 0.00 O ATOM 821 CB VAL A 54 -2.517 4.348 -4.580 1.00 0.00 C ATOM 822 CG1 VAL A 54 -3.272 4.582 -5.879 1.00 0.00 C ATOM 823 CG2 VAL A 54 -2.553 5.590 -3.705 1.00 0.00 C ATOM 0 H VAL A 54 -3.524 1.769 -5.344 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.437 2.997 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 54 -1.481 4.139 -4.847 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -2.868 5.461 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.162 3.712 -6.526 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -4.328 4.741 -5.662 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.183 6.445 -4.271 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -3.578 5.781 -3.387 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.924 5.436 -2.828 1.00 0.00 H new ATOM 833 N PHE A 55 -4.745 3.115 -2.102 1.00 0.00 N ATOM 834 CA PHE A 55 -6.025 3.463 -1.507 1.00 0.00 C ATOM 835 C PHE A 55 -5.784 4.151 -0.166 1.00 0.00 C ATOM 836 O PHE A 55 -4.765 3.898 0.482 1.00 0.00 O ATOM 837 CB PHE A 55 -6.929 2.226 -1.352 1.00 0.00 C ATOM 838 CG PHE A 55 -6.441 1.200 -0.369 1.00 0.00 C ATOM 839 CD1 PHE A 55 -5.466 0.284 -0.726 1.00 0.00 C ATOM 840 CD2 PHE A 55 -6.974 1.144 0.910 1.00 0.00 C ATOM 841 CE1 PHE A 55 -5.029 -0.666 0.175 1.00 0.00 C ATOM 842 CE2 PHE A 55 -6.539 0.198 1.814 1.00 0.00 C ATOM 843 CZ PHE A 55 -5.566 -0.709 1.446 1.00 0.00 C ATOM 0 H PHE A 55 -4.076 2.707 -1.449 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.550 4.151 -2.170 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -7.922 2.557 -1.046 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.038 1.750 -2.327 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.043 0.313 -1.719 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.738 1.849 1.201 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -4.268 -1.375 -0.114 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -6.959 0.167 2.808 1.00 0.00 H new ATOM 0 HZ PHE A 55 -5.225 -1.452 2.152 1.00 0.00 H new ATOM 853 N PRO A 56 -6.699 5.036 0.264 1.00 0.00 N ATOM 854 CA PRO A 56 -6.541 5.793 1.516 1.00 0.00 C ATOM 855 C PRO A 56 -6.382 4.890 2.738 1.00 0.00 C ATOM 856 O PRO A 56 -5.400 4.991 3.479 1.00 0.00 O ATOM 857 CB PRO A 56 -7.840 6.600 1.615 1.00 0.00 C ATOM 858 CG PRO A 56 -8.360 6.668 0.220 1.00 0.00 C ATOM 859 CD PRO A 56 -7.947 5.384 -0.437 1.00 0.00 C ATOM 0 HA PRO A 56 -5.640 6.406 1.502 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.556 6.116 2.280 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.656 7.597 2.016 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.444 6.779 0.213 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -7.948 7.527 -0.309 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -8.705 4.609 -0.320 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -7.786 5.513 -1.507 1.00 0.00 H new ATOM 867 N GLY A 57 -7.342 3.998 2.933 1.00 0.00 N ATOM 868 CA GLY A 57 -7.313 3.112 4.078 1.00 0.00 C ATOM 869 C GLY A 57 -8.661 3.029 4.761 1.00 0.00 C ATOM 870 O GLY A 57 -9.344 4.041 4.917 1.00 0.00 O ATOM 0 H GLY A 57 -8.144 3.872 2.316 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.006 2.116 3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.566 3.463 4.790 1.00 0.00 H new ATOM 969 N TYR A 66 2.453 -12.663 8.155 1.00 0.00 N ATOM 970 CA TYR A 66 2.749 -13.594 7.067 1.00 0.00 C ATOM 971 C TYR A 66 1.575 -13.793 6.106 1.00 0.00 C ATOM 972 O TYR A 66 1.739 -14.405 5.053 1.00 0.00 O ATOM 973 CB TYR A 66 3.208 -14.948 7.627 1.00 0.00 C ATOM 974 CG TYR A 66 2.295 -15.532 8.690 1.00 0.00 C ATOM 975 CD1 TYR A 66 1.165 -16.267 8.346 1.00 0.00 C ATOM 976 CD2 TYR A 66 2.571 -15.352 10.041 1.00 0.00 C ATOM 977 CE1 TYR A 66 0.338 -16.803 9.317 1.00 0.00 C ATOM 978 CE2 TYR A 66 1.750 -15.885 11.016 1.00 0.00 C ATOM 979 CZ TYR A 66 0.634 -16.608 10.650 1.00 0.00 C ATOM 980 OH TYR A 66 -0.186 -17.139 11.620 1.00 0.00 O ATOM 0 HA TYR A 66 3.555 -13.143 6.489 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.288 -15.659 6.804 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.207 -14.833 8.047 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.929 -16.422 7.303 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.443 -14.785 10.333 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -0.535 -17.371 9.033 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.981 -15.736 12.060 1.00 0.00 H new ATOM 0 HH TYR A 66 0.165 -16.911 12.506 1.00 0.00 H new ATOM 990 N VAL A 67 0.404 -13.280 6.459 1.00 0.00 N ATOM 991 CA VAL A 67 -0.766 -13.397 5.592 1.00 0.00 C ATOM 992 C VAL A 67 -0.510 -12.716 4.245 1.00 0.00 C ATOM 993 O VAL A 67 -0.848 -13.251 3.191 1.00 0.00 O ATOM 994 CB VAL A 67 -2.026 -12.790 6.255 1.00 0.00 C ATOM 995 CG1 VAL A 67 -3.238 -12.917 5.343 1.00 0.00 C ATOM 996 CG2 VAL A 67 -2.295 -13.455 7.597 1.00 0.00 C ATOM 0 H VAL A 67 0.237 -12.782 7.333 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.944 -14.460 5.428 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.841 -11.729 6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.109 -12.483 5.833 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.047 -12.390 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.427 -13.970 5.133 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.184 -13.016 8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.453 -14.523 7.449 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.440 -13.303 8.256 1.00 0.00 H new ATOM 1006 N LEU A 68 0.121 -11.547 4.288 1.00 0.00 N ATOM 1007 CA LEU A 68 0.440 -10.802 3.076 1.00 0.00 C ATOM 1008 C LEU A 68 1.595 -11.485 2.333 1.00 0.00 C ATOM 1009 O LEU A 68 1.662 -11.468 1.104 1.00 0.00 O ATOM 1010 CB LEU A 68 0.807 -9.355 3.443 1.00 0.00 C ATOM 1011 CG LEU A 68 0.533 -8.285 2.371 1.00 0.00 C ATOM 1012 CD1 LEU A 68 1.500 -8.401 1.201 1.00 0.00 C ATOM 1013 CD2 LEU A 68 -0.903 -8.380 1.879 1.00 0.00 C ATOM 0 H LEU A 68 0.422 -11.095 5.151 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.429 -10.785 2.418 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.259 -9.082 4.345 1.00 0.00 H new ATOM 0 HB3 LEU A 68 1.868 -9.325 3.692 1.00 0.00 H new ATOM 0 HG LEU A 68 0.686 -7.310 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.275 -7.629 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.522 -8.274 1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.397 -9.383 0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.079 -7.616 1.122 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.075 -9.366 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.585 -8.226 2.715 1.00 0.00 H new ATOM 1025 N LEU A 69 2.489 -12.104 3.102 1.00 0.00 N ATOM 1026 CA LEU A 69 3.663 -12.780 2.555 1.00 0.00 C ATOM 1027 C LEU A 69 3.259 -13.922 1.623 1.00 0.00 C ATOM 1028 O LEU A 69 3.958 -14.219 0.650 1.00 0.00 O ATOM 1029 CB LEU A 69 4.523 -13.324 3.697 1.00 0.00 C ATOM 1030 CG LEU A 69 5.815 -14.017 3.272 1.00 0.00 C ATOM 1031 CD1 LEU A 69 6.753 -13.035 2.593 1.00 0.00 C ATOM 1032 CD2 LEU A 69 6.492 -14.660 4.472 1.00 0.00 C ATOM 0 H LEU A 69 2.420 -12.151 4.119 1.00 0.00 H new ATOM 0 HA LEU A 69 4.236 -12.055 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.775 -12.499 4.363 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.926 -14.029 4.275 1.00 0.00 H new ATOM 0 HG LEU A 69 5.565 -14.800 2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.667 -13.550 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.268 -12.621 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 69 6.997 -12.228 3.284 1.00 0.00 H new ATOM 0 HD21 LEU A 69 7.412 -15.150 4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 69 6.727 -13.894 5.211 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.823 -15.398 4.915 1.00 0.00 H new ATOM 1044 N ASN A 70 2.131 -14.553 1.934 1.00 0.00 N ATOM 1045 CA ASN A 70 1.596 -15.647 1.122 1.00 0.00 C ATOM 1046 C ASN A 70 1.422 -15.221 -0.332 1.00 0.00 C ATOM 1047 O ASN A 70 1.806 -15.944 -1.254 1.00 0.00 O ATOM 1048 CB ASN A 70 0.254 -16.121 1.693 1.00 0.00 C ATOM 1049 CG ASN A 70 -0.453 -17.130 0.802 1.00 0.00 C ATOM 1050 OD1 ASN A 70 -1.258 -16.765 -0.053 1.00 0.00 O ATOM 1051 ND2 ASN A 70 -0.162 -18.405 0.995 1.00 0.00 N ATOM 0 H ASN A 70 1.563 -14.324 2.750 1.00 0.00 H new ATOM 0 HA ASN A 70 2.311 -16.469 1.152 1.00 0.00 H new ATOM 0 HB2 ASN A 70 0.421 -16.566 2.674 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -0.396 -15.258 1.841 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.610 -19.122 0.425 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.511 -18.671 1.714 1.00 0.00 H new ATOM 1058 N LEU A 71 0.878 -14.025 -0.526 1.00 0.00 N ATOM 1059 CA LEU A 71 0.617 -13.507 -1.863 1.00 0.00 C ATOM 1060 C LEU A 71 1.914 -13.360 -2.656 1.00 0.00 C ATOM 1061 O LEU A 71 1.937 -13.548 -3.875 1.00 0.00 O ATOM 1062 CB LEU A 71 -0.092 -12.153 -1.774 1.00 0.00 C ATOM 1063 CG LEU A 71 -1.426 -12.161 -1.026 1.00 0.00 C ATOM 1064 CD1 LEU A 71 -2.005 -10.758 -0.963 1.00 0.00 C ATOM 1065 CD2 LEU A 71 -2.412 -13.111 -1.691 1.00 0.00 C ATOM 0 H LEU A 71 0.608 -13.394 0.229 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.026 -14.218 -2.382 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.576 -11.443 -1.285 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.264 -11.784 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.246 -12.511 -0.010 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.954 -10.780 -0.428 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.309 -10.100 -0.442 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.167 -10.386 -1.974 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.354 -13.101 -1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.587 -12.793 -2.719 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.002 -14.121 -1.689 1.00 0.00 H new ATOM 1077 N ARG A 72 2.996 -13.038 -1.958 1.00 0.00 N ATOM 1078 CA ARG A 72 4.286 -12.843 -2.604 1.00 0.00 C ATOM 1079 C ARG A 72 4.873 -14.166 -3.065 1.00 0.00 C ATOM 1080 O ARG A 72 5.523 -14.234 -4.107 1.00 0.00 O ATOM 1081 CB ARG A 72 5.278 -12.174 -1.664 1.00 0.00 C ATOM 1082 CG ARG A 72 6.563 -11.789 -2.373 1.00 0.00 C ATOM 1083 CD ARG A 72 7.687 -11.510 -1.401 1.00 0.00 C ATOM 1084 NE ARG A 72 7.990 -12.666 -0.555 1.00 0.00 N ATOM 1085 CZ ARG A 72 9.225 -13.115 -0.330 1.00 0.00 C ATOM 1086 NH1 ARG A 72 10.262 -12.554 -0.939 1.00 0.00 N ATOM 1087 NH2 ARG A 72 9.414 -14.136 0.498 1.00 0.00 N ATOM 0 H ARG A 72 3.005 -12.907 -0.947 1.00 0.00 H new ATOM 0 HA ARG A 72 4.113 -12.200 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.823 -11.284 -1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.507 -12.849 -0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.859 -12.592 -3.048 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.387 -10.905 -2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.581 -11.224 -1.955 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.418 -10.662 -0.771 1.00 0.00 H new ATOM 0 HE ARG A 72 7.212 -13.156 -0.113 1.00 0.00 H new ATOM 0 HH11 ARG A 72 10.116 -11.776 -1.582 1.00 0.00 H new ATOM 0 HH12 ARG A 72 11.205 -12.901 -0.764 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.616 -14.573 0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.357 -14.483 0.673 1.00 0.00 H new ATOM 1101 N LYS A 73 4.648 -15.215 -2.280 1.00 0.00 N ATOM 1102 CA LYS A 73 5.204 -16.528 -2.588 1.00 0.00 C ATOM 1103 C LYS A 73 4.685 -17.041 -3.925 1.00 0.00 C ATOM 1104 O LYS A 73 5.382 -17.768 -4.635 1.00 0.00 O ATOM 1105 CB LYS A 73 4.885 -17.537 -1.482 1.00 0.00 C ATOM 1106 CG LYS A 73 5.549 -17.224 -0.152 1.00 0.00 C ATOM 1107 CD LYS A 73 5.398 -18.378 0.823 1.00 0.00 C ATOM 1108 CE LYS A 73 6.105 -18.100 2.139 1.00 0.00 C ATOM 1109 NZ LYS A 73 6.138 -19.301 3.014 1.00 0.00 N ATOM 0 H LYS A 73 4.087 -15.182 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 73 6.286 -16.416 -2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.805 -17.574 -1.338 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.197 -18.529 -1.808 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.607 -17.015 -0.311 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.107 -16.324 0.275 1.00 0.00 H new ATOM 0 HD2 LYS A 73 4.340 -18.560 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.804 -19.286 0.377 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.124 -17.767 1.941 1.00 0.00 H new ATOM 0 HE3 LYS A 73 5.599 -17.286 2.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.628 -19.070 3.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.166 -19.604 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.643 -20.070 2.529 1.00 0.00 H new ATOM 1123 N ASN A 74 3.465 -16.660 -4.268 1.00 0.00 N ATOM 1124 CA ASN A 74 2.884 -17.065 -5.541 1.00 0.00 C ATOM 1125 C ASN A 74 3.136 -16.001 -6.604 1.00 0.00 C ATOM 1126 O ASN A 74 3.180 -16.297 -7.797 1.00 0.00 O ATOM 1127 CB ASN A 74 1.385 -17.332 -5.400 1.00 0.00 C ATOM 1128 CG ASN A 74 0.797 -17.963 -6.648 1.00 0.00 C ATOM 1129 OD1 ASN A 74 1.482 -18.678 -7.379 1.00 0.00 O ATOM 1130 ND2 ASN A 74 -0.482 -17.733 -6.884 1.00 0.00 N ATOM 0 H ASN A 74 2.861 -16.076 -3.690 1.00 0.00 H new ATOM 0 HA ASN A 74 3.366 -17.992 -5.852 1.00 0.00 H new ATOM 0 HB2 ASN A 74 1.213 -17.989 -4.547 1.00 0.00 H new ATOM 0 HB3 ASN A 74 0.869 -16.395 -5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -0.935 -18.154 -7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -1.017 -17.134 -6.255 1.00 0.00 H new ATOM 1137 N GLY A 75 3.324 -14.764 -6.167 1.00 0.00 N ATOM 1138 CA GLY A 75 3.617 -13.689 -7.097 1.00 0.00 C ATOM 1139 C GLY A 75 2.377 -12.936 -7.529 1.00 0.00 C ATOM 1140 O GLY A 75 2.337 -12.365 -8.617 1.00 0.00 O ATOM 0 H GLY A 75 3.279 -14.484 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.316 -12.993 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.112 -14.100 -7.977 1.00 0.00 H new ATOM 1144 N VAL A 76 1.363 -12.933 -6.676 1.00 0.00 N ATOM 1145 CA VAL A 76 0.115 -12.245 -6.978 1.00 0.00 C ATOM 1146 C VAL A 76 -0.010 -10.979 -6.142 1.00 0.00 C ATOM 1147 O VAL A 76 -1.027 -10.286 -6.183 1.00 0.00 O ATOM 1148 CB VAL A 76 -1.107 -13.153 -6.730 1.00 0.00 C ATOM 1149 CG1 VAL A 76 -1.061 -14.363 -7.646 1.00 0.00 C ATOM 1150 CG2 VAL A 76 -1.182 -13.585 -5.271 1.00 0.00 C ATOM 0 H VAL A 76 1.379 -13.399 -5.769 1.00 0.00 H new ATOM 0 HA VAL A 76 0.135 -11.981 -8.035 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.007 -12.581 -6.955 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -1.930 -14.994 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.069 -14.033 -8.685 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -0.151 -14.931 -7.452 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.053 -14.224 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.279 -14.136 -5.008 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.268 -12.704 -4.635 1.00 0.00 H new ATOM 1160 N ALA A 77 1.037 -10.682 -5.388 1.00 0.00 N ATOM 1161 CA ALA A 77 1.059 -9.499 -4.546 1.00 0.00 C ATOM 1162 C ALA A 77 1.365 -8.254 -5.372 1.00 0.00 C ATOM 1163 O ALA A 77 1.905 -8.353 -6.477 1.00 0.00 O ATOM 1164 CB ALA A 77 2.087 -9.669 -3.437 1.00 0.00 C ATOM 0 H ALA A 77 1.885 -11.247 -5.343 1.00 0.00 H new ATOM 0 HA ALA A 77 0.074 -9.373 -4.097 1.00 0.00 H new ATOM 0 HB1 ALA A 77 2.097 -8.777 -2.810 1.00 0.00 H new ATOM 0 HB2 ALA A 77 1.827 -10.536 -2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 77 3.074 -9.815 -3.875 1.00 0.00 H new ATOM 1170 N PRO A 78 1.013 -7.064 -4.857 1.00 0.00 N ATOM 1171 CA PRO A 78 1.339 -5.795 -5.513 1.00 0.00 C ATOM 1172 C PRO A 78 2.845 -5.575 -5.623 1.00 0.00 C ATOM 1173 O PRO A 78 3.632 -6.228 -4.937 1.00 0.00 O ATOM 1174 CB PRO A 78 0.709 -4.736 -4.597 1.00 0.00 C ATOM 1175 CG PRO A 78 0.524 -5.417 -3.284 1.00 0.00 C ATOM 1176 CD PRO A 78 0.253 -6.857 -3.610 1.00 0.00 C ATOM 0 HA PRO A 78 0.966 -5.761 -6.537 1.00 0.00 H new ATOM 0 HB2 PRO A 78 1.355 -3.864 -4.501 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.243 -4.385 -4.996 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.413 -5.317 -2.662 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.305 -4.978 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 78 0.593 -7.521 -2.815 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.811 -7.046 -3.750 1.00 0.00 H new ATOM 1184 N LYS A 79 3.247 -4.664 -6.498 1.00 0.00 N ATOM 1185 CA LYS A 79 4.657 -4.331 -6.654 1.00 0.00 C ATOM 1186 C LYS A 79 5.064 -3.324 -5.590 1.00 0.00 C ATOM 1187 O LYS A 79 6.219 -3.273 -5.172 1.00 0.00 O ATOM 1188 CB LYS A 79 4.929 -3.766 -8.051 1.00 0.00 C ATOM 1189 CG LYS A 79 5.830 -4.649 -8.901 1.00 0.00 C ATOM 1190 CD LYS A 79 5.944 -4.124 -10.326 1.00 0.00 C ATOM 1191 CE LYS A 79 6.825 -5.018 -11.185 1.00 0.00 C ATOM 1192 NZ LYS A 79 6.793 -4.621 -12.619 1.00 0.00 N ATOM 0 H LYS A 79 2.619 -4.143 -7.110 1.00 0.00 H new ATOM 0 HA LYS A 79 5.248 -5.239 -6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.980 -3.626 -8.568 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.387 -2.782 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.821 -4.699 -8.451 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.435 -5.665 -8.917 1.00 0.00 H new ATOM 0 HD2 LYS A 79 4.951 -4.057 -10.770 1.00 0.00 H new ATOM 0 HD3 LYS A 79 6.355 -3.115 -10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.851 -4.974 -10.820 1.00 0.00 H new ATOM 0 HE3 LYS A 79 6.496 -6.053 -11.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 7.407 -5.256 -13.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.818 -4.687 -12.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.132 -3.642 -12.716 1.00 0.00 H new ATOM 1206 N ALA A 80 4.093 -2.526 -5.171 1.00 0.00 N ATOM 1207 CA ALA A 80 4.269 -1.564 -4.098 1.00 0.00 C ATOM 1208 C ALA A 80 2.903 -1.066 -3.663 1.00 0.00 C ATOM 1209 O ALA A 80 1.913 -1.281 -4.366 1.00 0.00 O ATOM 1210 CB ALA A 80 5.148 -0.404 -4.540 1.00 0.00 C ATOM 0 H ALA A 80 3.154 -2.529 -5.570 1.00 0.00 H new ATOM 0 HA ALA A 80 4.770 -2.047 -3.259 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.262 0.300 -3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.128 -0.781 -4.833 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.685 0.101 -5.388 1.00 0.00 H new ATOM 1216 N ILE A 81 2.833 -0.421 -2.513 1.00 0.00 N ATOM 1217 CA ILE A 81 1.570 0.093 -2.017 1.00 0.00 C ATOM 1218 C ILE A 81 1.792 1.309 -1.129 1.00 0.00 C ATOM 1219 O ILE A 81 2.514 1.254 -0.133 1.00 0.00 O ATOM 1220 CB ILE A 81 0.777 -1.006 -1.266 1.00 0.00 C ATOM 1221 CG1 ILE A 81 -0.472 -0.425 -0.600 1.00 0.00 C ATOM 1222 CG2 ILE A 81 1.660 -1.713 -0.250 1.00 0.00 C ATOM 1223 CD1 ILE A 81 -1.361 -1.473 0.036 1.00 0.00 C ATOM 0 H ILE A 81 3.633 -0.241 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 81 0.974 0.405 -2.875 1.00 0.00 H new ATOM 0 HB ILE A 81 0.450 -1.744 -1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.167 0.292 0.162 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.048 0.126 -1.344 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.081 -2.480 0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.503 -2.177 -0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 81 2.030 -0.990 0.477 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.227 -0.990 0.489 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.696 -2.177 -0.726 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.801 -2.008 0.804 1.00 0.00 H new ATOM 1235 N ILE A 82 1.191 2.421 -1.522 1.00 0.00 N ATOM 1236 CA ILE A 82 1.332 3.661 -0.782 1.00 0.00 C ATOM 1237 C ILE A 82 0.003 3.990 -0.115 1.00 0.00 C ATOM 1238 O ILE A 82 -1.011 4.166 -0.793 1.00 0.00 O ATOM 1239 CB ILE A 82 1.753 4.841 -1.694 1.00 0.00 C ATOM 1240 CG1 ILE A 82 2.624 4.362 -2.862 1.00 0.00 C ATOM 1241 CG2 ILE A 82 2.507 5.884 -0.881 1.00 0.00 C ATOM 1242 CD1 ILE A 82 3.958 3.769 -2.449 1.00 0.00 C ATOM 0 H ILE A 82 0.600 2.488 -2.351 1.00 0.00 H new ATOM 0 HA ILE A 82 2.117 3.523 -0.039 1.00 0.00 H new ATOM 0 HB ILE A 82 0.848 5.286 -2.107 1.00 0.00 H new ATOM 0 HG12 ILE A 82 2.069 3.616 -3.430 1.00 0.00 H new ATOM 0 HG13 ILE A 82 2.806 5.202 -3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.799 6.710 -1.530 1.00 0.00 H new ATOM 0 HG22 ILE A 82 1.864 6.258 -0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.398 5.432 -0.446 1.00 0.00 H new ATOM 0 HD11 ILE A 82 4.508 3.457 -3.337 1.00 0.00 H new ATOM 0 HD12 ILE A 82 4.537 4.517 -1.908 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.789 2.906 -1.805 1.00 0.00 H new ATOM 1254 N ASN A 83 -0.001 4.059 1.204 1.00 0.00 N ATOM 1255 CA ASN A 83 -1.245 4.243 1.939 1.00 0.00 C ATOM 1256 C ASN A 83 -1.261 5.556 2.697 1.00 0.00 C ATOM 1257 O ASN A 83 -0.233 6.214 2.861 1.00 0.00 O ATOM 1258 CB ASN A 83 -1.476 3.087 2.918 1.00 0.00 C ATOM 1259 CG ASN A 83 -1.824 1.775 2.236 1.00 0.00 C ATOM 1260 OD1 ASN A 83 -2.551 1.839 1.128 1.00 0.00 O flip ATOM 1261 ND2 ASN A 83 -1.459 0.705 2.716 1.00 0.00 N flip ATOM 0 H ASN A 83 0.834 3.991 1.786 1.00 0.00 H new ATOM 0 HA ASN A 83 -2.049 4.260 1.203 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -0.579 2.947 3.521 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -2.281 3.356 3.602 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.901 0.693 3.570 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.714 -0.172 2.261 1.00 0.00 H new ATOM 1268 N LYS A 84 -2.448 5.930 3.146 1.00 0.00 N ATOM 1269 CA LYS A 84 -2.630 7.123 3.953 1.00 0.00 C ATOM 1270 C LYS A 84 -2.765 6.724 5.420 1.00 0.00 C ATOM 1271 O LYS A 84 -2.367 7.460 6.321 1.00 0.00 O ATOM 1272 CB LYS A 84 -3.877 7.868 3.482 1.00 0.00 C ATOM 1273 CG LYS A 84 -4.077 9.229 4.124 1.00 0.00 C ATOM 1274 CD LYS A 84 -5.336 9.894 3.592 1.00 0.00 C ATOM 1275 CE LYS A 84 -5.597 11.233 4.260 1.00 0.00 C ATOM 1276 NZ LYS A 84 -6.867 11.846 3.786 1.00 0.00 N ATOM 0 H LYS A 84 -3.310 5.416 2.961 1.00 0.00 H new ATOM 0 HA LYS A 84 -1.768 7.781 3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.822 7.995 2.401 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.752 7.251 3.687 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -4.147 9.119 5.206 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -3.213 9.862 3.923 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -5.243 10.038 2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -6.190 9.236 3.753 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -5.639 11.098 5.341 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.768 11.910 4.055 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.055 12.716 4.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.786 12.075 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -7.650 11.176 3.927 1.00 0.00 H new ATOM 1290 N LYS A 85 -3.331 5.546 5.636 1.00 0.00 N ATOM 1291 CA LYS A 85 -3.478 4.977 6.969 1.00 0.00 C ATOM 1292 C LYS A 85 -2.765 3.628 7.031 1.00 0.00 C ATOM 1293 O LYS A 85 -3.073 2.727 6.251 1.00 0.00 O ATOM 1294 CB LYS A 85 -4.962 4.797 7.297 1.00 0.00 C ATOM 1295 CG LYS A 85 -5.220 4.231 8.681 1.00 0.00 C ATOM 1296 CD LYS A 85 -6.674 3.829 8.851 1.00 0.00 C ATOM 1297 CE LYS A 85 -6.946 3.260 10.235 1.00 0.00 C ATOM 1298 NZ LYS A 85 -6.034 2.134 10.575 1.00 0.00 N ATOM 0 H LYS A 85 -3.702 4.956 4.891 1.00 0.00 H new ATOM 0 HA LYS A 85 -3.033 5.653 7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.463 5.761 7.210 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.411 4.136 6.555 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.579 3.365 8.847 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -4.955 4.973 9.435 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.313 4.696 8.683 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.937 3.088 8.096 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -6.836 4.050 10.978 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.979 2.916 10.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.391 1.640 11.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -5.990 1.469 9.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -5.082 2.505 10.769 1.00 0.00 H new ATOM 1312 N THR A 86 -1.816 3.490 7.951 1.00 0.00 N ATOM 1313 CA THR A 86 -1.013 2.275 8.036 1.00 0.00 C ATOM 1314 C THR A 86 -1.018 1.693 9.448 1.00 0.00 C ATOM 1315 O THR A 86 -1.300 2.394 10.422 1.00 0.00 O ATOM 1316 CB THR A 86 0.447 2.544 7.612 1.00 0.00 C ATOM 1317 OG1 THR A 86 1.028 3.543 8.462 1.00 0.00 O ATOM 1318 CG2 THR A 86 0.517 3.003 6.163 1.00 0.00 C ATOM 0 H THR A 86 -1.585 4.201 8.645 1.00 0.00 H new ATOM 0 HA THR A 86 -1.464 1.554 7.355 1.00 0.00 H new ATOM 0 HB THR A 86 1.006 1.613 7.708 1.00 0.00 H new ATOM 0 HG1 THR A 86 1.955 3.707 8.188 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.556 3.186 5.889 1.00 0.00 H new ATOM 0 HG22 THR A 86 0.102 2.230 5.516 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.057 3.922 6.044 1.00 0.00 H new ATOM 1326 N GLU A 87 -0.707 0.405 9.544 1.00 0.00 N ATOM 1327 CA GLU A 87 -0.540 -0.261 10.829 1.00 0.00 C ATOM 1328 C GLU A 87 0.840 -0.896 10.904 1.00 0.00 C ATOM 1329 O GLU A 87 1.450 -1.188 9.870 1.00 0.00 O ATOM 1330 CB GLU A 87 -1.592 -1.350 11.041 1.00 0.00 C ATOM 1331 CG GLU A 87 -3.026 -0.857 11.045 1.00 0.00 C ATOM 1332 CD GLU A 87 -3.993 -1.939 11.477 1.00 0.00 C ATOM 1333 OE1 GLU A 87 -3.985 -3.030 10.875 1.00 0.00 O ATOM 1334 OE2 GLU A 87 -4.746 -1.715 12.449 1.00 0.00 O ATOM 0 H GLU A 87 -0.564 -0.203 8.738 1.00 0.00 H new ATOM 0 HA GLU A 87 -0.657 0.493 11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -1.482 -2.099 10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.392 -1.849 11.989 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.114 -0.002 11.716 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -3.293 -0.508 10.047 1.00 0.00 H new ATOM 1341 N THR A 88 1.317 -1.130 12.118 1.00 0.00 N ATOM 1342 CA THR A 88 2.610 -1.766 12.328 1.00 0.00 C ATOM 1343 C THR A 88 2.645 -3.162 11.704 1.00 0.00 C ATOM 1344 O THR A 88 3.605 -3.521 11.025 1.00 0.00 O ATOM 1345 CB THR A 88 2.948 -1.860 13.832 1.00 0.00 C ATOM 1346 OG1 THR A 88 2.942 -0.548 14.413 1.00 0.00 O ATOM 1347 CG2 THR A 88 4.310 -2.506 14.054 1.00 0.00 C ATOM 0 H THR A 88 0.825 -0.887 12.978 1.00 0.00 H new ATOM 0 HA THR A 88 3.359 -1.144 11.839 1.00 0.00 H new ATOM 0 HB THR A 88 2.191 -2.482 14.310 1.00 0.00 H new ATOM 0 HG1 THR A 88 3.155 -0.612 15.367 1.00 0.00 H new ATOM 0 HG21 THR A 88 4.518 -2.557 15.123 1.00 0.00 H new ATOM 0 HG22 THR A 88 4.308 -3.513 13.636 1.00 0.00 H new ATOM 0 HG23 THR A 88 5.080 -1.911 13.563 1.00 0.00 H new ATOM 1355 N ILE A 89 1.579 -3.935 11.907 1.00 0.00 N ATOM 1356 CA ILE A 89 1.510 -5.293 11.369 1.00 0.00 C ATOM 1357 C ILE A 89 1.521 -5.290 9.844 1.00 0.00 C ATOM 1358 O ILE A 89 2.018 -6.228 9.219 1.00 0.00 O ATOM 1359 CB ILE A 89 0.267 -6.054 11.872 1.00 0.00 C ATOM 1360 CG1 ILE A 89 -0.995 -5.208 11.694 1.00 0.00 C ATOM 1361 CG2 ILE A 89 0.449 -6.463 13.325 1.00 0.00 C ATOM 1362 CD1 ILE A 89 -2.243 -5.875 12.223 1.00 0.00 C ATOM 0 H ILE A 89 0.756 -3.647 12.437 1.00 0.00 H new ATOM 0 HA ILE A 89 2.399 -5.810 11.731 1.00 0.00 H new ATOM 0 HB ILE A 89 0.150 -6.959 11.275 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -0.859 -4.254 12.202 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.130 -4.989 10.635 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -0.437 -6.999 13.666 1.00 0.00 H new ATOM 0 HG22 ILE A 89 1.322 -7.110 13.414 1.00 0.00 H new ATOM 0 HG23 ILE A 89 0.593 -5.573 13.938 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -3.100 -5.221 12.065 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.403 -6.816 11.697 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -2.127 -6.070 13.289 1.00 0.00 H new ATOM 1374 N ILE A 90 0.989 -4.228 9.249 1.00 0.00 N ATOM 1375 CA ILE A 90 1.026 -4.075 7.801 1.00 0.00 C ATOM 1376 C ILE A 90 2.465 -3.878 7.347 1.00 0.00 C ATOM 1377 O ILE A 90 2.911 -4.478 6.371 1.00 0.00 O ATOM 1378 CB ILE A 90 0.169 -2.879 7.319 1.00 0.00 C ATOM 1379 CG1 ILE A 90 -1.290 -3.059 7.749 1.00 0.00 C ATOM 1380 CG2 ILE A 90 0.262 -2.729 5.803 1.00 0.00 C ATOM 1381 CD1 ILE A 90 -2.198 -1.917 7.337 1.00 0.00 C ATOM 0 H ILE A 90 0.529 -3.464 9.745 1.00 0.00 H new ATOM 0 HA ILE A 90 0.609 -4.982 7.363 1.00 0.00 H new ATOM 0 HB ILE A 90 0.557 -1.970 7.779 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -1.672 -3.986 7.322 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.328 -3.167 8.833 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -0.347 -1.883 5.483 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.300 -2.558 5.517 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -0.101 -3.639 5.324 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -3.214 -2.119 7.678 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.842 -0.989 7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.192 -1.821 6.251 1.00 0.00 H new ATOM 1393 N ALA A 91 3.197 -3.058 8.091 1.00 0.00 N ATOM 1394 CA ALA A 91 4.594 -2.786 7.783 1.00 0.00 C ATOM 1395 C ALA A 91 5.450 -4.035 7.957 1.00 0.00 C ATOM 1396 O ALA A 91 6.435 -4.221 7.245 1.00 0.00 O ATOM 1397 CB ALA A 91 5.119 -1.660 8.659 1.00 0.00 C ATOM 0 H ALA A 91 2.845 -2.569 8.914 1.00 0.00 H new ATOM 0 HA ALA A 91 4.655 -2.479 6.739 1.00 0.00 H new ATOM 0 HB1 ALA A 91 6.164 -1.468 8.417 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.534 -0.758 8.481 1.00 0.00 H new ATOM 0 HB3 ALA A 91 5.036 -1.946 9.708 1.00 0.00 H new ATOM 1403 N VAL A 92 5.078 -4.880 8.915 1.00 0.00 N ATOM 1404 CA VAL A 92 5.777 -6.141 9.140 1.00 0.00 C ATOM 1405 C VAL A 92 5.578 -7.082 7.956 1.00 0.00 C ATOM 1406 O VAL A 92 6.541 -7.628 7.411 1.00 0.00 O ATOM 1407 CB VAL A 92 5.293 -6.841 10.431 1.00 0.00 C ATOM 1408 CG1 VAL A 92 6.022 -8.161 10.639 1.00 0.00 C ATOM 1409 CG2 VAL A 92 5.484 -5.934 11.634 1.00 0.00 C ATOM 0 H VAL A 92 4.296 -4.714 9.548 1.00 0.00 H new ATOM 0 HA VAL A 92 6.836 -5.905 9.250 1.00 0.00 H new ATOM 0 HB VAL A 92 4.229 -7.053 10.322 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.664 -8.634 11.553 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.832 -8.819 9.791 1.00 0.00 H new ATOM 0 HG13 VAL A 92 7.093 -7.976 10.721 1.00 0.00 H new ATOM 0 HG21 VAL A 92 5.138 -6.444 12.533 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.541 -5.688 11.740 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.911 -5.018 11.493 1.00 0.00 H new ATOM 1419 N GLY A 93 4.325 -7.253 7.550 1.00 0.00 N ATOM 1420 CA GLY A 93 4.020 -8.113 6.422 1.00 0.00 C ATOM 1421 C GLY A 93 4.631 -7.602 5.133 1.00 0.00 C ATOM 1422 O GLY A 93 5.210 -8.371 4.367 1.00 0.00 O ATOM 0 H GLY A 93 3.514 -6.811 7.983 1.00 0.00 H new ATOM 0 HA2 GLY A 93 4.389 -9.119 6.624 1.00 0.00 H new ATOM 0 HA3 GLY A 93 2.939 -8.187 6.305 1.00 0.00 H new ATOM 1426 N ALA A 94 4.514 -6.299 4.909 1.00 0.00 N ATOM 1427 CA ALA A 94 5.048 -5.669 3.708 1.00 0.00 C ATOM 1428 C ALA A 94 6.567 -5.774 3.648 1.00 0.00 C ATOM 1429 O ALA A 94 7.137 -5.970 2.578 1.00 0.00 O ATOM 1430 CB ALA A 94 4.619 -4.212 3.641 1.00 0.00 C ATOM 0 H ALA A 94 4.050 -5.654 5.549 1.00 0.00 H new ATOM 0 HA ALA A 94 4.643 -6.201 2.847 1.00 0.00 H new ATOM 0 HB1 ALA A 94 5.025 -3.754 2.739 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.531 -4.154 3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 94 4.993 -3.682 4.517 1.00 0.00 H new ATOM 1436 N ALA A 95 7.219 -5.655 4.799 1.00 0.00 N ATOM 1437 CA ALA A 95 8.674 -5.731 4.864 1.00 0.00 C ATOM 1438 C ALA A 95 9.171 -7.112 4.451 1.00 0.00 C ATOM 1439 O ALA A 95 10.158 -7.236 3.726 1.00 0.00 O ATOM 1440 CB ALA A 95 9.165 -5.398 6.264 1.00 0.00 C ATOM 0 H ALA A 95 6.764 -5.506 5.699 1.00 0.00 H new ATOM 0 HA ALA A 95 9.077 -4.998 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 95 10.253 -5.460 6.292 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.852 -4.388 6.529 1.00 0.00 H new ATOM 0 HB3 ALA A 95 8.742 -6.107 6.976 1.00 0.00 H new ATOM 1446 N MET A 96 8.481 -8.149 4.908 1.00 0.00 N ATOM 1447 CA MET A 96 8.868 -9.516 4.589 1.00 0.00 C ATOM 1448 C MET A 96 8.508 -9.861 3.148 1.00 0.00 C ATOM 1449 O MET A 96 9.196 -10.649 2.499 1.00 0.00 O ATOM 1450 CB MET A 96 8.202 -10.498 5.544 1.00 0.00 C ATOM 1451 CG MET A 96 8.655 -10.336 6.985 1.00 0.00 C ATOM 1452 SD MET A 96 7.940 -11.575 8.083 1.00 0.00 S ATOM 1453 CE MET A 96 6.189 -11.275 7.851 1.00 0.00 C ATOM 0 H MET A 96 7.653 -8.070 5.499 1.00 0.00 H new ATOM 0 HA MET A 96 9.949 -9.594 4.703 1.00 0.00 H new ATOM 0 HB2 MET A 96 7.121 -10.367 5.493 1.00 0.00 H new ATOM 0 HB3 MET A 96 8.416 -11.515 5.215 1.00 0.00 H new ATOM 0 HG2 MET A 96 9.742 -10.401 7.029 1.00 0.00 H new ATOM 0 HG3 MET A 96 8.381 -9.342 7.338 1.00 0.00 H new ATOM 0 HE1 MET A 96 5.630 -11.737 8.665 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.001 -10.201 7.845 1.00 0.00 H new ATOM 0 HE3 MET A 96 5.869 -11.704 6.902 1.00 0.00 H new ATOM 1463 N ALA A 97 7.424 -9.272 2.657 1.00 0.00 N ATOM 1464 CA ALA A 97 7.010 -9.456 1.274 1.00 0.00 C ATOM 1465 C ALA A 97 7.786 -8.530 0.338 1.00 0.00 C ATOM 1466 O ALA A 97 7.579 -8.551 -0.874 1.00 0.00 O ATOM 1467 CB ALA A 97 5.514 -9.225 1.134 1.00 0.00 C ATOM 0 H ALA A 97 6.814 -8.661 3.200 1.00 0.00 H new ATOM 0 HA ALA A 97 7.233 -10.484 0.988 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.220 -9.366 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.976 -9.934 1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 97 5.272 -8.209 1.445 1.00 0.00 H new ATOM 1473 N GLU A 98 8.676 -7.722 0.916 1.00 0.00 N ATOM 1474 CA GLU A 98 9.513 -6.791 0.154 1.00 0.00 C ATOM 1475 C GLU A 98 8.659 -5.831 -0.677 1.00 0.00 C ATOM 1476 O GLU A 98 9.012 -5.470 -1.799 1.00 0.00 O ATOM 1477 CB GLU A 98 10.499 -7.561 -0.733 1.00 0.00 C ATOM 1478 CG GLU A 98 11.404 -8.496 0.055 1.00 0.00 C ATOM 1479 CD GLU A 98 12.523 -9.076 -0.782 1.00 0.00 C ATOM 1480 OE1 GLU A 98 12.312 -10.114 -1.439 1.00 0.00 O ATOM 1481 OE2 GLU A 98 13.632 -8.493 -0.784 1.00 0.00 O ATOM 0 H GLU A 98 8.838 -7.694 1.923 1.00 0.00 H new ATOM 0 HA GLU A 98 10.085 -6.191 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 98 9.941 -8.140 -1.469 1.00 0.00 H new ATOM 0 HB3 GLU A 98 11.113 -6.850 -1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 98 11.831 -7.954 0.899 1.00 0.00 H new ATOM 0 HG3 GLU A 98 10.807 -9.309 0.468 1.00 0.00 H new ATOM 1488 N ILE A 99 7.549 -5.407 -0.091 1.00 0.00 N ATOM 1489 CA ILE A 99 6.615 -4.488 -0.731 1.00 0.00 C ATOM 1490 C ILE A 99 6.645 -3.130 -0.028 1.00 0.00 C ATOM 1491 O ILE A 99 5.952 -2.930 0.972 1.00 0.00 O ATOM 1492 CB ILE A 99 5.172 -5.040 -0.742 1.00 0.00 C ATOM 1493 CG1 ILE A 99 5.128 -6.401 -1.444 1.00 0.00 C ATOM 1494 CG2 ILE A 99 4.232 -4.059 -1.432 1.00 0.00 C ATOM 1495 CD1 ILE A 99 3.751 -7.026 -1.471 1.00 0.00 C ATOM 0 H ILE A 99 7.268 -5.692 0.847 1.00 0.00 H new ATOM 0 HA ILE A 99 6.933 -4.372 -1.767 1.00 0.00 H new ATOM 0 HB ILE A 99 4.843 -5.169 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.484 -6.284 -2.467 1.00 0.00 H new ATOM 0 HG13 ILE A 99 5.816 -7.081 -0.943 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.220 -4.463 -1.431 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.244 -3.108 -0.899 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.559 -3.903 -2.460 1.00 0.00 H new ATOM 0 HD11 ILE A 99 3.798 -7.987 -1.984 1.00 0.00 H new ATOM 0 HD12 ILE A 99 3.399 -7.176 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 99 3.062 -6.366 -1.999 1.00 0.00 H new ATOM 1507 N PRO A 100 7.516 -2.216 -0.507 1.00 0.00 N ATOM 1508 CA PRO A 100 7.738 -0.893 0.099 1.00 0.00 C ATOM 1509 C PRO A 100 6.456 -0.209 0.580 1.00 0.00 C ATOM 1510 O PRO A 100 5.577 0.133 -0.213 1.00 0.00 O ATOM 1511 CB PRO A 100 8.361 -0.100 -1.046 1.00 0.00 C ATOM 1512 CG PRO A 100 9.118 -1.112 -1.830 1.00 0.00 C ATOM 1513 CD PRO A 100 8.341 -2.399 -1.717 1.00 0.00 C ATOM 0 HA PRO A 100 8.352 -0.965 0.997 1.00 0.00 H new ATOM 0 HB2 PRO A 100 7.598 0.384 -1.655 1.00 0.00 H new ATOM 0 HB3 PRO A 100 9.018 0.686 -0.673 1.00 0.00 H new ATOM 0 HG2 PRO A 100 9.214 -0.805 -2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 100 10.128 -1.232 -1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 100 7.723 -2.570 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 100 9.005 -3.258 -1.621 1.00 0.00 H new ATOM 1521 N LEU A 101 6.374 -0.012 1.890 1.00 0.00 N ATOM 1522 CA LEU A 101 5.221 0.620 2.515 1.00 0.00 C ATOM 1523 C LEU A 101 5.606 2.016 3.008 1.00 0.00 C ATOM 1524 O LEU A 101 6.513 2.159 3.836 1.00 0.00 O ATOM 1525 CB LEU A 101 4.740 -0.233 3.702 1.00 0.00 C ATOM 1526 CG LEU A 101 3.226 -0.244 3.975 1.00 0.00 C ATOM 1527 CD1 LEU A 101 2.651 1.162 4.025 1.00 0.00 C ATOM 1528 CD2 LEU A 101 2.508 -1.074 2.932 1.00 0.00 C ATOM 0 H LEU A 101 7.104 -0.286 2.547 1.00 0.00 H new ATOM 0 HA LEU A 101 4.417 0.703 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.063 -1.261 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.246 0.119 4.601 1.00 0.00 H new ATOM 0 HG LEU A 101 3.071 -0.696 4.955 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.580 1.110 4.220 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.138 1.726 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.823 1.659 3.070 1.00 0.00 H new ATOM 0 HD21 LEU A 101 1.438 -1.072 3.139 1.00 0.00 H new ATOM 0 HD22 LEU A 101 2.687 -0.651 1.944 1.00 0.00 H new ATOM 0 HD23 LEU A 101 2.881 -2.098 2.961 1.00 0.00 H new ATOM 1540 N VAL A 102 4.919 3.034 2.504 1.00 0.00 N ATOM 1541 CA VAL A 102 5.158 4.411 2.925 1.00 0.00 C ATOM 1542 C VAL A 102 3.843 5.176 3.047 1.00 0.00 C ATOM 1543 O VAL A 102 2.821 4.759 2.501 1.00 0.00 O ATOM 1544 CB VAL A 102 6.096 5.163 1.955 1.00 0.00 C ATOM 1545 CG1 VAL A 102 7.534 4.708 2.132 1.00 0.00 C ATOM 1546 CG2 VAL A 102 5.652 4.965 0.515 1.00 0.00 C ATOM 0 H VAL A 102 4.188 2.932 1.800 1.00 0.00 H new ATOM 0 HA VAL A 102 5.645 4.359 3.899 1.00 0.00 H new ATOM 0 HB VAL A 102 6.041 6.226 2.190 1.00 0.00 H new ATOM 0 HG11 VAL A 102 8.176 5.251 1.438 1.00 0.00 H new ATOM 0 HG12 VAL A 102 7.855 4.906 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 102 7.605 3.639 1.930 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.326 5.503 -0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 102 5.672 3.903 0.271 1.00 0.00 H new ATOM 0 HG23 VAL A 102 4.639 5.347 0.391 1.00 0.00 H new ATOM 1556 N GLU A 103 3.884 6.292 3.765 1.00 0.00 N ATOM 1557 CA GLU A 103 2.697 7.109 3.991 1.00 0.00 C ATOM 1558 C GLU A 103 2.675 8.327 3.078 1.00 0.00 C ATOM 1559 O GLU A 103 3.677 9.037 2.955 1.00 0.00 O ATOM 1560 CB GLU A 103 2.649 7.609 5.434 1.00 0.00 C ATOM 1561 CG GLU A 103 2.563 6.522 6.487 1.00 0.00 C ATOM 1562 CD GLU A 103 2.530 7.108 7.883 1.00 0.00 C ATOM 1563 OE1 GLU A 103 3.606 7.319 8.470 1.00 0.00 O ATOM 1564 OE2 GLU A 103 1.422 7.393 8.391 1.00 0.00 O ATOM 0 H GLU A 103 4.731 6.654 4.203 1.00 0.00 H new ATOM 0 HA GLU A 103 1.837 6.474 3.779 1.00 0.00 H new ATOM 0 HB2 GLU A 103 3.539 8.209 5.624 1.00 0.00 H new ATOM 0 HB3 GLU A 103 1.790 8.270 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 103 1.668 5.922 6.321 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.418 5.852 6.392 1.00 0.00 H new ATOM 1571 N VAL A 104 1.534 8.571 2.452 1.00 0.00 N ATOM 1572 CA VAL A 104 1.297 9.833 1.761 1.00 0.00 C ATOM 1573 C VAL A 104 0.528 10.776 2.676 1.00 0.00 C ATOM 1574 O VAL A 104 -0.377 10.353 3.397 1.00 0.00 O ATOM 1575 CB VAL A 104 0.525 9.658 0.436 1.00 0.00 C ATOM 1576 CG1 VAL A 104 1.444 9.140 -0.656 1.00 0.00 C ATOM 1577 CG2 VAL A 104 -0.663 8.727 0.618 1.00 0.00 C ATOM 0 H VAL A 104 0.756 7.913 2.407 1.00 0.00 H new ATOM 0 HA VAL A 104 2.273 10.249 1.510 1.00 0.00 H new ATOM 0 HB VAL A 104 0.148 10.635 0.135 1.00 0.00 H new ATOM 0 HG11 VAL A 104 0.880 9.024 -1.581 1.00 0.00 H new ATOM 0 HG12 VAL A 104 2.257 9.848 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 104 1.855 8.176 -0.358 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -1.190 8.620 -0.330 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -0.312 7.750 0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -1.340 9.142 1.365 1.00 0.00 H new ATOM 1587 N ARG A 105 0.898 12.046 2.658 1.00 0.00 N ATOM 1588 CA ARG A 105 0.317 13.010 3.580 1.00 0.00 C ATOM 1589 C ARG A 105 -0.771 13.834 2.907 1.00 0.00 C ATOM 1590 O ARG A 105 -1.855 14.013 3.459 1.00 0.00 O ATOM 1591 CB ARG A 105 1.406 13.938 4.121 1.00 0.00 C ATOM 1592 CG ARG A 105 2.606 13.202 4.689 1.00 0.00 C ATOM 1593 CD ARG A 105 3.678 14.167 5.171 1.00 0.00 C ATOM 1594 NE ARG A 105 3.209 15.002 6.274 1.00 0.00 N ATOM 1595 CZ ARG A 105 3.763 16.162 6.620 1.00 0.00 C ATOM 1596 NH1 ARG A 105 4.839 16.604 5.978 1.00 0.00 N ATOM 1597 NH2 ARG A 105 3.261 16.861 7.629 1.00 0.00 N ATOM 0 H ARG A 105 1.593 12.432 2.020 1.00 0.00 H new ATOM 0 HA ARG A 105 -0.135 12.456 4.403 1.00 0.00 H new ATOM 0 HB2 ARG A 105 1.741 14.597 3.320 1.00 0.00 H new ATOM 0 HB3 ARG A 105 0.978 14.572 4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 105 2.287 12.569 5.517 1.00 0.00 H new ATOM 0 HG3 ARG A 105 3.024 12.544 3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 105 4.555 13.604 5.490 1.00 0.00 H new ATOM 0 HD3 ARG A 105 3.992 14.803 4.343 1.00 0.00 H new ATOM 0 HE ARG A 105 2.407 14.676 6.813 1.00 0.00 H new ATOM 0 HH11 ARG A 105 5.242 16.054 5.219 1.00 0.00 H new ATOM 0 HH12 ARG A 105 5.262 17.493 6.244 1.00 0.00 H new ATOM 0 HH21 ARG A 105 2.451 16.510 8.140 1.00 0.00 H new ATOM 0 HH22 ARG A 105 3.685 17.750 7.895 1.00 0.00 H new ATOM 1611 N ASP A 106 -0.480 14.331 1.714 1.00 0.00 N ATOM 1612 CA ASP A 106 -1.394 15.237 1.034 1.00 0.00 C ATOM 1613 C ASP A 106 -2.334 14.482 0.107 1.00 0.00 C ATOM 1614 O ASP A 106 -1.963 13.472 -0.495 1.00 0.00 O ATOM 1615 CB ASP A 106 -0.622 16.289 0.240 1.00 0.00 C ATOM 1616 CG ASP A 106 -1.466 17.509 -0.059 1.00 0.00 C ATOM 1617 OD1 ASP A 106 -2.348 17.435 -0.933 1.00 0.00 O ATOM 1618 OD2 ASP A 106 -1.245 18.552 0.584 1.00 0.00 O ATOM 0 H ASP A 106 0.376 14.124 1.199 1.00 0.00 H new ATOM 0 HA ASP A 106 -1.990 15.734 1.799 1.00 0.00 H new ATOM 0 HB2 ASP A 106 0.263 16.589 0.802 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -0.273 15.852 -0.696 1.00 0.00 H new ATOM 1623 N GLU A 107 -3.547 14.998 -0.004 1.00 0.00 N ATOM 1624 CA GLU A 107 -4.588 14.393 -0.824 1.00 0.00 C ATOM 1625 C GLU A 107 -4.283 14.558 -2.316 1.00 0.00 C ATOM 1626 O GLU A 107 -4.829 13.834 -3.152 1.00 0.00 O ATOM 1627 CB GLU A 107 -5.935 15.039 -0.494 1.00 0.00 C ATOM 1628 CG GLU A 107 -7.127 14.114 -0.672 1.00 0.00 C ATOM 1629 CD GLU A 107 -7.140 12.983 0.337 1.00 0.00 C ATOM 1630 OE1 GLU A 107 -7.128 13.269 1.556 1.00 0.00 O ATOM 1631 OE2 GLU A 107 -7.168 11.809 -0.075 1.00 0.00 O ATOM 0 H GLU A 107 -3.840 15.851 0.473 1.00 0.00 H new ATOM 0 HA GLU A 107 -4.626 13.326 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 107 -5.914 15.392 0.537 1.00 0.00 H new ATOM 0 HB3 GLU A 107 -6.071 15.915 -1.128 1.00 0.00 H new ATOM 0 HG2 GLU A 107 -8.047 14.691 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -7.113 13.698 -1.679 1.00 0.00 H new ATOM 1638 N LYS A 108 -3.401 15.507 -2.644 1.00 0.00 N ATOM 1639 CA LYS A 108 -3.026 15.774 -4.030 1.00 0.00 C ATOM 1640 C LYS A 108 -2.519 14.522 -4.734 1.00 0.00 C ATOM 1641 O LYS A 108 -2.727 14.353 -5.934 1.00 0.00 O ATOM 1642 CB LYS A 108 -1.943 16.848 -4.096 1.00 0.00 C ATOM 1643 CG LYS A 108 -2.440 18.257 -3.830 1.00 0.00 C ATOM 1644 CD LYS A 108 -1.310 19.266 -3.970 1.00 0.00 C ATOM 1645 CE LYS A 108 -1.773 20.679 -3.658 1.00 0.00 C ATOM 1646 NZ LYS A 108 -2.881 21.112 -4.547 1.00 0.00 N ATOM 0 H LYS A 108 -2.933 16.104 -1.962 1.00 0.00 H new ATOM 0 HA LYS A 108 -3.926 16.119 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -1.165 16.607 -3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -1.480 16.819 -5.082 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.241 18.502 -4.528 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -2.862 18.315 -2.827 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -0.495 18.994 -3.299 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -0.914 19.229 -4.985 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.100 20.732 -2.620 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -0.934 21.367 -3.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -3.041 22.133 -4.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -2.631 20.912 -5.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -3.748 20.595 -4.298 1.00 0.00 H new ATOM 1660 N PHE A 109 -1.859 13.647 -3.983 1.00 0.00 N ATOM 1661 CA PHE A 109 -1.296 12.430 -4.548 1.00 0.00 C ATOM 1662 C PHE A 109 -2.399 11.557 -5.137 1.00 0.00 C ATOM 1663 O PHE A 109 -2.246 11.001 -6.222 1.00 0.00 O ATOM 1664 CB PHE A 109 -0.518 11.652 -3.479 1.00 0.00 C ATOM 1665 CG PHE A 109 0.162 10.418 -4.003 1.00 0.00 C ATOM 1666 CD1 PHE A 109 1.374 10.508 -4.669 1.00 0.00 C ATOM 1667 CD2 PHE A 109 -0.410 9.167 -3.830 1.00 0.00 C ATOM 1668 CE1 PHE A 109 2.002 9.378 -5.153 1.00 0.00 C ATOM 1669 CE2 PHE A 109 0.214 8.031 -4.312 1.00 0.00 C ATOM 1670 CZ PHE A 109 1.422 8.138 -4.975 1.00 0.00 C ATOM 0 H PHE A 109 -1.702 13.759 -2.982 1.00 0.00 H new ATOM 0 HA PHE A 109 -0.607 12.708 -5.346 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.231 12.309 -3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.202 11.367 -2.680 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.833 11.475 -4.811 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -1.354 9.079 -3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.946 9.464 -5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -0.242 7.062 -4.171 1.00 0.00 H new ATOM 0 HZ PHE A 109 1.911 7.253 -5.353 1.00 0.00 H new ATOM 1680 N PHE A 110 -3.524 11.481 -4.433 1.00 0.00 N ATOM 1681 CA PHE A 110 -4.633 10.626 -4.840 1.00 0.00 C ATOM 1682 C PHE A 110 -5.314 11.162 -6.095 1.00 0.00 C ATOM 1683 O PHE A 110 -5.847 10.393 -6.899 1.00 0.00 O ATOM 1684 CB PHE A 110 -5.653 10.498 -3.707 1.00 0.00 C ATOM 1685 CG PHE A 110 -5.121 9.791 -2.493 1.00 0.00 C ATOM 1686 CD1 PHE A 110 -5.197 8.412 -2.390 1.00 0.00 C ATOM 1687 CD2 PHE A 110 -4.546 10.507 -1.453 1.00 0.00 C ATOM 1688 CE1 PHE A 110 -4.711 7.759 -1.274 1.00 0.00 C ATOM 1689 CE2 PHE A 110 -4.060 9.859 -0.334 1.00 0.00 C ATOM 1690 CZ PHE A 110 -4.142 8.483 -0.245 1.00 0.00 C ATOM 0 H PHE A 110 -3.692 12.004 -3.574 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.226 9.641 -5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.989 11.494 -3.418 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -6.527 9.961 -4.076 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.641 7.841 -3.191 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -4.478 11.583 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.776 6.683 -1.206 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -3.617 10.427 0.470 1.00 0.00 H new ATOM 0 HZ PHE A 110 -3.762 7.974 0.628 1.00 0.00 H new ATOM 1700 N GLU A 111 -5.306 12.478 -6.251 1.00 0.00 N ATOM 1701 CA GLU A 111 -5.882 13.110 -7.415 1.00 0.00 C ATOM 1702 C GLU A 111 -4.947 12.997 -8.614 1.00 0.00 C ATOM 1703 O GLU A 111 -5.374 12.666 -9.720 1.00 0.00 O ATOM 1704 CB GLU A 111 -6.144 14.582 -7.128 1.00 0.00 C ATOM 1705 CG GLU A 111 -7.029 15.224 -8.166 1.00 0.00 C ATOM 1706 CD GLU A 111 -6.672 16.666 -8.446 1.00 0.00 C ATOM 1707 OE1 GLU A 111 -6.999 17.542 -7.621 1.00 0.00 O ATOM 1708 OE2 GLU A 111 -6.073 16.937 -9.509 1.00 0.00 O ATOM 0 H GLU A 111 -4.902 13.128 -5.577 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.818 12.603 -7.647 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -6.609 14.680 -6.147 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -5.194 15.115 -7.085 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -6.963 14.654 -9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.065 15.172 -7.833 1.00 0.00 H new ATOM 1715 N ALA A 112 -3.670 13.277 -8.380 1.00 0.00 N ATOM 1716 CA ALA A 112 -2.681 13.327 -9.451 1.00 0.00 C ATOM 1717 C ALA A 112 -2.445 11.960 -10.080 1.00 0.00 C ATOM 1718 O ALA A 112 -2.257 11.855 -11.292 1.00 0.00 O ATOM 1719 CB ALA A 112 -1.373 13.898 -8.926 1.00 0.00 C ATOM 0 H ALA A 112 -3.293 13.474 -7.453 1.00 0.00 H new ATOM 0 HA ALA A 112 -3.075 13.978 -10.231 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.641 13.931 -9.733 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.542 14.906 -8.547 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.997 13.266 -8.121 1.00 0.00 H new ATOM 1725 N VAL A 113 -2.456 10.917 -9.261 1.00 0.00 N ATOM 1726 CA VAL A 113 -2.189 9.573 -9.752 1.00 0.00 C ATOM 1727 C VAL A 113 -3.391 9.019 -10.521 1.00 0.00 C ATOM 1728 O VAL A 113 -4.535 9.074 -10.055 1.00 0.00 O ATOM 1729 CB VAL A 113 -1.789 8.611 -8.603 1.00 0.00 C ATOM 1730 CG1 VAL A 113 -2.942 8.377 -7.635 1.00 0.00 C ATOM 1731 CG2 VAL A 113 -1.271 7.293 -9.161 1.00 0.00 C ATOM 0 H VAL A 113 -2.646 10.975 -8.260 1.00 0.00 H new ATOM 0 HA VAL A 113 -1.344 9.643 -10.437 1.00 0.00 H new ATOM 0 HB VAL A 113 -0.986 9.087 -8.041 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.622 7.698 -6.845 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -3.247 9.327 -7.196 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -3.784 7.939 -8.171 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -0.996 6.633 -8.339 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -2.049 6.821 -9.761 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -0.396 7.480 -9.784 1.00 0.00 H new ATOM 1741 N LYS A 114 -3.128 8.522 -11.720 1.00 0.00 N ATOM 1742 CA LYS A 114 -4.166 7.928 -12.547 1.00 0.00 C ATOM 1743 C LYS A 114 -3.827 6.466 -12.814 1.00 0.00 C ATOM 1744 O LYS A 114 -2.654 6.109 -12.949 1.00 0.00 O ATOM 1745 CB LYS A 114 -4.294 8.683 -13.877 1.00 0.00 C ATOM 1746 CG LYS A 114 -4.316 10.201 -13.736 1.00 0.00 C ATOM 1747 CD LYS A 114 -5.555 10.693 -13.008 1.00 0.00 C ATOM 1748 CE LYS A 114 -5.516 12.203 -12.827 1.00 0.00 C ATOM 1749 NZ LYS A 114 -6.759 12.724 -12.203 1.00 0.00 N ATOM 0 H LYS A 114 -2.200 8.519 -12.143 1.00 0.00 H new ATOM 0 HA LYS A 114 -5.117 7.993 -12.019 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -3.462 8.402 -14.523 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -5.208 8.363 -14.377 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -3.427 10.527 -13.197 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -4.273 10.657 -14.725 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -6.446 10.413 -13.569 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -5.626 10.208 -12.034 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -4.660 12.471 -12.208 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -5.370 12.680 -13.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -7.000 13.643 -12.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -7.537 12.053 -12.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -6.611 12.841 -11.180 1.00 0.00 H new ATOM 1763 N THR A 115 -4.843 5.620 -12.867 1.00 0.00 N ATOM 1764 CA THR A 115 -4.630 4.205 -13.123 1.00 0.00 C ATOM 1765 C THR A 115 -4.061 3.991 -14.526 1.00 0.00 C ATOM 1766 O THR A 115 -4.744 4.215 -15.529 1.00 0.00 O ATOM 1767 CB THR A 115 -5.935 3.402 -12.969 1.00 0.00 C ATOM 1768 OG1 THR A 115 -6.583 3.767 -11.745 1.00 0.00 O ATOM 1769 CG2 THR A 115 -5.652 1.906 -12.962 1.00 0.00 C ATOM 0 H THR A 115 -5.819 5.887 -12.737 1.00 0.00 H new ATOM 0 HA THR A 115 -3.914 3.846 -12.384 1.00 0.00 H new ATOM 0 HB THR A 115 -6.582 3.632 -13.815 1.00 0.00 H new ATOM 0 HG1 THR A 115 -7.414 3.256 -11.650 1.00 0.00 H new ATOM 0 HG21 THR A 115 -6.588 1.359 -12.852 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.174 1.622 -13.899 1.00 0.00 H new ATOM 0 HG23 THR A 115 -4.991 1.665 -12.130 1.00 0.00 H new ATOM 1777 N GLY A 116 -2.805 3.572 -14.587 1.00 0.00 N ATOM 1778 CA GLY A 116 -2.157 3.360 -15.864 1.00 0.00 C ATOM 1779 C GLY A 116 -0.880 4.157 -16.002 1.00 0.00 C ATOM 1780 O GLY A 116 -0.146 4.005 -16.980 1.00 0.00 O ATOM 0 H GLY A 116 -2.223 3.375 -13.773 1.00 0.00 H new ATOM 0 HA2 GLY A 116 -1.935 2.300 -15.984 1.00 0.00 H new ATOM 0 HA3 GLY A 116 -2.842 3.635 -16.666 1.00 0.00 H new ATOM 1784 N ASP A 117 -0.620 5.029 -15.041 1.00 0.00 N ATOM 1785 CA ASP A 117 0.633 5.767 -15.014 1.00 0.00 C ATOM 1786 C ASP A 117 1.693 4.968 -14.281 1.00 0.00 C ATOM 1787 O ASP A 117 1.397 3.935 -13.686 1.00 0.00 O ATOM 1788 CB ASP A 117 0.462 7.134 -14.352 1.00 0.00 C ATOM 1789 CG ASP A 117 -0.201 8.138 -15.269 1.00 0.00 C ATOM 1790 OD1 ASP A 117 0.454 8.596 -16.227 1.00 0.00 O ATOM 1791 OD2 ASP A 117 -1.385 8.463 -15.052 1.00 0.00 O ATOM 0 H ASP A 117 -1.256 5.243 -14.273 1.00 0.00 H new ATOM 0 HA ASP A 117 0.948 5.928 -16.045 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -0.134 7.024 -13.446 1.00 0.00 H new ATOM 0 HB3 ASP A 117 1.438 7.512 -14.048 1.00 0.00 H new ATOM 1796 N ARG A 118 2.927 5.440 -14.322 1.00 0.00 N ATOM 1797 CA ARG A 118 4.027 4.737 -13.684 1.00 0.00 C ATOM 1798 C ARG A 118 4.612 5.562 -12.553 1.00 0.00 C ATOM 1799 O ARG A 118 5.070 6.685 -12.763 1.00 0.00 O ATOM 1800 CB ARG A 118 5.115 4.413 -14.705 1.00 0.00 C ATOM 1801 CG ARG A 118 6.367 3.799 -14.100 1.00 0.00 C ATOM 1802 CD ARG A 118 7.429 3.571 -15.158 1.00 0.00 C ATOM 1803 NE ARG A 118 7.680 4.776 -15.944 1.00 0.00 N ATOM 1804 CZ ARG A 118 8.890 5.167 -16.341 1.00 0.00 C ATOM 1805 NH1 ARG A 118 9.969 4.501 -15.951 1.00 0.00 N ATOM 1806 NH2 ARG A 118 9.016 6.239 -17.114 1.00 0.00 N ATOM 0 H ARG A 118 3.193 6.307 -14.790 1.00 0.00 H new ATOM 0 HA ARG A 118 3.638 3.807 -13.271 1.00 0.00 H new ATOM 0 HB2 ARG A 118 4.709 3.727 -15.448 1.00 0.00 H new ATOM 0 HB3 ARG A 118 5.389 5.327 -15.231 1.00 0.00 H new ATOM 0 HG2 ARG A 118 6.759 4.455 -13.323 1.00 0.00 H new ATOM 0 HG3 ARG A 118 6.117 2.852 -13.621 1.00 0.00 H new ATOM 0 HD2 ARG A 118 8.355 3.249 -14.680 1.00 0.00 H new ATOM 0 HD3 ARG A 118 7.115 2.764 -15.820 1.00 0.00 H new ATOM 0 HE ARG A 118 6.880 5.353 -16.205 1.00 0.00 H new ATOM 0 HH11 ARG A 118 9.874 3.686 -15.345 1.00 0.00 H new ATOM 0 HH12 ARG A 118 10.894 4.804 -16.257 1.00 0.00 H new ATOM 0 HH21 ARG A 118 8.188 6.760 -17.402 1.00 0.00 H new ATOM 0 HH22 ARG A 118 9.941 6.541 -17.420 1.00 0.00 H new ATOM 1820 N VAL A 119 4.607 4.999 -11.360 1.00 0.00 N ATOM 1821 CA VAL A 119 5.164 5.676 -10.205 1.00 0.00 C ATOM 1822 C VAL A 119 6.422 4.963 -9.727 1.00 0.00 C ATOM 1823 O VAL A 119 6.443 3.738 -9.572 1.00 0.00 O ATOM 1824 CB VAL A 119 4.134 5.786 -9.052 1.00 0.00 C ATOM 1825 CG1 VAL A 119 3.619 4.416 -8.639 1.00 0.00 C ATOM 1826 CG2 VAL A 119 4.729 6.523 -7.859 1.00 0.00 C ATOM 0 H VAL A 119 4.223 4.074 -11.165 1.00 0.00 H new ATOM 0 HA VAL A 119 5.425 6.689 -10.511 1.00 0.00 H new ATOM 0 HB VAL A 119 3.286 6.364 -9.420 1.00 0.00 H new ATOM 0 HG11 VAL A 119 2.899 4.527 -7.829 1.00 0.00 H new ATOM 0 HG12 VAL A 119 3.136 3.937 -9.491 1.00 0.00 H new ATOM 0 HG13 VAL A 119 4.453 3.800 -8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 119 3.986 6.587 -7.064 1.00 0.00 H new ATOM 0 HG22 VAL A 119 5.603 5.982 -7.497 1.00 0.00 H new ATOM 0 HG23 VAL A 119 5.023 7.528 -8.162 1.00 0.00 H new ATOM 1836 N VAL A 120 7.479 5.733 -9.535 1.00 0.00 N ATOM 1837 CA VAL A 120 8.718 5.201 -8.999 1.00 0.00 C ATOM 1838 C VAL A 120 8.786 5.515 -7.512 1.00 0.00 C ATOM 1839 O VAL A 120 8.907 6.679 -7.119 1.00 0.00 O ATOM 1840 CB VAL A 120 9.958 5.787 -9.712 1.00 0.00 C ATOM 1841 CG1 VAL A 120 11.235 5.144 -9.188 1.00 0.00 C ATOM 1842 CG2 VAL A 120 9.846 5.609 -11.219 1.00 0.00 C ATOM 0 H VAL A 120 7.503 6.731 -9.743 1.00 0.00 H new ATOM 0 HA VAL A 120 8.726 4.124 -9.165 1.00 0.00 H new ATOM 0 HB VAL A 120 10.001 6.855 -9.497 1.00 0.00 H new ATOM 0 HG11 VAL A 120 12.095 5.571 -9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.324 5.331 -8.118 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.201 4.069 -9.367 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.729 6.028 -11.702 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.773 4.547 -11.456 1.00 0.00 H new ATOM 0 HG23 VAL A 120 8.956 6.124 -11.581 1.00 0.00 H new ATOM 1852 N VAL A 121 8.685 4.484 -6.690 1.00 0.00 N ATOM 1853 CA VAL A 121 8.610 4.668 -5.253 1.00 0.00 C ATOM 1854 C VAL A 121 9.945 4.371 -4.574 1.00 0.00 C ATOM 1855 O VAL A 121 10.448 3.243 -4.599 1.00 0.00 O ATOM 1856 CB VAL A 121 7.486 3.805 -4.622 1.00 0.00 C ATOM 1857 CG1 VAL A 121 7.618 2.341 -5.017 1.00 0.00 C ATOM 1858 CG2 VAL A 121 7.481 3.950 -3.107 1.00 0.00 C ATOM 0 H VAL A 121 8.653 3.511 -6.995 1.00 0.00 H new ATOM 0 HA VAL A 121 8.369 5.718 -5.087 1.00 0.00 H new ATOM 0 HB VAL A 121 6.535 4.170 -5.009 1.00 0.00 H new ATOM 0 HG11 VAL A 121 6.814 1.766 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 121 7.555 2.250 -6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 121 8.580 1.957 -4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 121 6.685 3.336 -2.685 1.00 0.00 H new ATOM 0 HG22 VAL A 121 8.441 3.624 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 121 7.313 4.994 -2.842 1.00 0.00 H new ATOM 1868 N ASN A 122 10.520 5.404 -3.989 1.00 0.00 N ATOM 1869 CA ASN A 122 11.701 5.263 -3.163 1.00 0.00 C ATOM 1870 C ASN A 122 11.271 5.272 -1.703 1.00 0.00 C ATOM 1871 O ASN A 122 11.097 6.333 -1.108 1.00 0.00 O ATOM 1872 CB ASN A 122 12.685 6.408 -3.444 1.00 0.00 C ATOM 1873 CG ASN A 122 14.011 6.268 -2.713 1.00 0.00 C ATOM 1874 OD1 ASN A 122 14.092 5.683 -1.634 1.00 0.00 O ATOM 1875 ND2 ASN A 122 15.063 6.815 -3.304 1.00 0.00 N ATOM 0 H ASN A 122 10.182 6.362 -4.073 1.00 0.00 H new ATOM 0 HA ASN A 122 12.207 4.325 -3.391 1.00 0.00 H new ATOM 0 HB2 ASN A 122 12.875 6.457 -4.516 1.00 0.00 H new ATOM 0 HB3 ASN A 122 12.221 7.352 -3.159 1.00 0.00 H new ATOM 0 HD21 ASN A 122 15.981 6.759 -2.864 1.00 0.00 H new ATOM 0 HD22 ASN A 122 14.954 7.292 -4.199 1.00 0.00 H new ATOM 1882 N ALA A 123 11.065 4.094 -1.139 1.00 0.00 N ATOM 1883 CA ALA A 123 10.623 3.982 0.242 1.00 0.00 C ATOM 1884 C ALA A 123 11.807 4.099 1.184 1.00 0.00 C ATOM 1885 O ALA A 123 11.652 4.405 2.362 1.00 0.00 O ATOM 1886 CB ALA A 123 9.896 2.665 0.464 1.00 0.00 C ATOM 0 H ALA A 123 11.196 3.202 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 123 9.930 4.797 0.451 1.00 0.00 H new ATOM 0 HB1 ALA A 123 9.573 2.599 1.503 1.00 0.00 H new ATOM 0 HB2 ALA A 123 9.026 2.615 -0.191 1.00 0.00 H new ATOM 0 HB3 ALA A 123 10.568 1.836 0.239 1.00 0.00 H new ATOM 1892 N ASP A 124 12.993 3.868 0.638 1.00 0.00 N ATOM 1893 CA ASP A 124 14.230 3.919 1.409 1.00 0.00 C ATOM 1894 C ASP A 124 14.463 5.327 1.963 1.00 0.00 C ATOM 1895 O ASP A 124 14.910 5.497 3.099 1.00 0.00 O ATOM 1896 CB ASP A 124 15.402 3.492 0.517 1.00 0.00 C ATOM 1897 CG ASP A 124 16.717 3.396 1.264 1.00 0.00 C ATOM 1898 OD1 ASP A 124 16.935 2.380 1.958 1.00 0.00 O ATOM 1899 OD2 ASP A 124 17.551 4.314 1.126 1.00 0.00 O ATOM 0 H ASP A 124 13.126 3.641 -0.347 1.00 0.00 H new ATOM 0 HA ASP A 124 14.153 3.235 2.254 1.00 0.00 H new ATOM 0 HB2 ASP A 124 15.175 2.525 0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 124 15.507 4.206 -0.300 1.00 0.00 H new ATOM 1904 N GLU A 125 14.144 6.328 1.150 1.00 0.00 N ATOM 1905 CA GLU A 125 14.265 7.725 1.558 1.00 0.00 C ATOM 1906 C GLU A 125 12.901 8.365 1.801 1.00 0.00 C ATOM 1907 O GLU A 125 12.773 9.291 2.607 1.00 0.00 O ATOM 1908 CB GLU A 125 15.029 8.517 0.497 1.00 0.00 C ATOM 1909 CG GLU A 125 16.534 8.353 0.586 1.00 0.00 C ATOM 1910 CD GLU A 125 17.111 9.035 1.807 1.00 0.00 C ATOM 1911 OE1 GLU A 125 16.979 8.494 2.922 1.00 0.00 O ATOM 1912 OE2 GLU A 125 17.689 10.133 1.660 1.00 0.00 O ATOM 0 H GLU A 125 13.798 6.198 0.199 1.00 0.00 H new ATOM 0 HA GLU A 125 14.816 7.747 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 125 14.695 8.201 -0.491 1.00 0.00 H new ATOM 0 HB3 GLU A 125 14.780 9.574 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 125 16.781 7.292 0.614 1.00 0.00 H new ATOM 0 HG3 GLU A 125 16.997 8.765 -0.311 1.00 0.00 H new ATOM 1919 N GLY A 126 11.884 7.871 1.116 1.00 0.00 N ATOM 1920 CA GLY A 126 10.569 8.471 1.217 1.00 0.00 C ATOM 1921 C GLY A 126 10.334 9.470 0.105 1.00 0.00 C ATOM 1922 O GLY A 126 10.170 10.666 0.348 1.00 0.00 O ATOM 0 H GLY A 126 11.943 7.066 0.492 1.00 0.00 H new ATOM 0 HA2 GLY A 126 9.807 7.692 1.176 1.00 0.00 H new ATOM 0 HA3 GLY A 126 10.466 8.967 2.182 1.00 0.00 H new ATOM 1926 N TYR A 127 10.310 8.972 -1.118 1.00 0.00 N ATOM 1927 CA TYR A 127 10.210 9.817 -2.295 1.00 0.00 C ATOM 1928 C TYR A 127 9.370 9.120 -3.359 1.00 0.00 C ATOM 1929 O TYR A 127 9.658 7.987 -3.743 1.00 0.00 O ATOM 1930 CB TYR A 127 11.622 10.124 -2.816 1.00 0.00 C ATOM 1931 CG TYR A 127 11.674 10.875 -4.128 1.00 0.00 C ATOM 1932 CD1 TYR A 127 11.064 12.115 -4.280 1.00 0.00 C ATOM 1933 CD2 TYR A 127 12.357 10.342 -5.211 1.00 0.00 C ATOM 1934 CE1 TYR A 127 11.137 12.800 -5.480 1.00 0.00 C ATOM 1935 CE2 TYR A 127 12.430 11.017 -6.411 1.00 0.00 C ATOM 1936 CZ TYR A 127 11.820 12.246 -6.544 1.00 0.00 C ATOM 1937 OH TYR A 127 11.905 12.932 -7.740 1.00 0.00 O ATOM 0 H TYR A 127 10.359 7.974 -1.323 1.00 0.00 H new ATOM 0 HA TYR A 127 9.720 10.757 -2.041 1.00 0.00 H new ATOM 0 HB2 TYR A 127 12.152 10.705 -2.062 1.00 0.00 H new ATOM 0 HB3 TYR A 127 12.162 9.184 -2.932 1.00 0.00 H new ATOM 0 HD1 TYR A 127 10.526 12.549 -3.450 1.00 0.00 H new ATOM 0 HD2 TYR A 127 12.840 9.381 -5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 127 10.662 13.764 -5.584 1.00 0.00 H new ATOM 0 HE2 TYR A 127 12.964 10.584 -7.244 1.00 0.00 H new ATOM 0 HH TYR A 127 11.830 12.300 -8.485 1.00 0.00 H new ATOM 1947 N VAL A 128 8.321 9.784 -3.816 1.00 0.00 N ATOM 1948 CA VAL A 128 7.437 9.210 -4.820 1.00 0.00 C ATOM 1949 C VAL A 128 7.285 10.144 -6.010 1.00 0.00 C ATOM 1950 O VAL A 128 6.813 11.275 -5.884 1.00 0.00 O ATOM 1951 CB VAL A 128 6.041 8.861 -4.243 1.00 0.00 C ATOM 1952 CG1 VAL A 128 6.124 7.613 -3.378 1.00 0.00 C ATOM 1953 CG2 VAL A 128 5.472 10.022 -3.435 1.00 0.00 C ATOM 0 H VAL A 128 8.060 10.721 -3.508 1.00 0.00 H new ATOM 0 HA VAL A 128 7.903 8.282 -5.151 1.00 0.00 H new ATOM 0 HB VAL A 128 5.370 8.670 -5.081 1.00 0.00 H new ATOM 0 HG11 VAL A 128 5.136 7.380 -2.980 1.00 0.00 H new ATOM 0 HG12 VAL A 128 6.479 6.776 -3.980 1.00 0.00 H new ATOM 0 HG13 VAL A 128 6.816 7.787 -2.554 1.00 0.00 H new ATOM 0 HG21 VAL A 128 4.493 9.747 -3.043 1.00 0.00 H new ATOM 0 HG22 VAL A 128 6.142 10.252 -2.607 1.00 0.00 H new ATOM 0 HG23 VAL A 128 5.374 10.898 -4.076 1.00 0.00 H new ATOM 1963 N GLU A 129 7.708 9.670 -7.166 1.00 0.00 N ATOM 1964 CA GLU A 129 7.606 10.447 -8.384 1.00 0.00 C ATOM 1965 C GLU A 129 6.769 9.701 -9.415 1.00 0.00 C ATOM 1966 O GLU A 129 7.055 8.548 -9.755 1.00 0.00 O ATOM 1967 CB GLU A 129 9.006 10.776 -8.925 1.00 0.00 C ATOM 1968 CG GLU A 129 9.885 9.555 -9.153 1.00 0.00 C ATOM 1969 CD GLU A 129 11.342 9.911 -9.363 1.00 0.00 C ATOM 1970 OE1 GLU A 129 11.633 11.049 -9.784 1.00 0.00 O ATOM 1971 OE2 GLU A 129 12.208 9.052 -9.085 1.00 0.00 O ATOM 0 H GLU A 129 8.127 8.748 -7.286 1.00 0.00 H new ATOM 0 HA GLU A 129 7.104 11.390 -8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 129 8.903 11.317 -9.866 1.00 0.00 H new ATOM 0 HB3 GLU A 129 9.506 11.445 -8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 129 9.799 8.886 -8.297 1.00 0.00 H new ATOM 0 HG3 GLU A 129 9.521 9.008 -10.022 1.00 0.00 H new ATOM 1978 N LEU A 130 5.715 10.344 -9.883 1.00 0.00 N ATOM 1979 CA LEU A 130 4.822 9.734 -10.850 1.00 0.00 C ATOM 1980 C LEU A 130 5.079 10.306 -12.233 1.00 0.00 C ATOM 1981 O LEU A 130 4.959 11.516 -12.444 1.00 0.00 O ATOM 1982 CB LEU A 130 3.362 9.970 -10.465 1.00 0.00 C ATOM 1983 CG LEU A 130 2.331 9.353 -11.415 1.00 0.00 C ATOM 1984 CD1 LEU A 130 2.208 7.862 -11.173 1.00 0.00 C ATOM 1985 CD2 LEU A 130 0.983 10.036 -11.258 1.00 0.00 C ATOM 0 H LEU A 130 5.456 11.291 -9.608 1.00 0.00 H new ATOM 0 HA LEU A 130 5.014 8.661 -10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 130 3.197 9.569 -9.465 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.186 11.044 -10.411 1.00 0.00 H new ATOM 0 HG LEU A 130 2.673 9.505 -12.439 1.00 0.00 H new ATOM 0 HD11 LEU A 130 1.471 7.442 -11.857 1.00 0.00 H new ATOM 0 HD12 LEU A 130 3.173 7.385 -11.342 1.00 0.00 H new ATOM 0 HD13 LEU A 130 1.891 7.685 -10.145 1.00 0.00 H new ATOM 0 HD21 LEU A 130 0.264 9.584 -11.941 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.633 9.918 -10.233 1.00 0.00 H new ATOM 0 HD23 LEU A 130 1.084 11.097 -11.487 1.00 0.00 H new ATOM 1997 N ILE A 131 5.434 9.443 -13.168 1.00 0.00 N ATOM 1998 CA ILE A 131 5.647 9.866 -14.537 1.00 0.00 C ATOM 1999 C ILE A 131 4.341 9.774 -15.294 1.00 0.00 C ATOM 2000 O ILE A 131 3.714 8.712 -15.348 1.00 0.00 O ATOM 2001 CB ILE A 131 6.714 9.024 -15.275 1.00 0.00 C ATOM 2002 CG1 ILE A 131 8.049 9.000 -14.514 1.00 0.00 C ATOM 2003 CG2 ILE A 131 6.924 9.561 -16.683 1.00 0.00 C ATOM 2004 CD1 ILE A 131 8.095 8.027 -13.355 1.00 0.00 C ATOM 0 H ILE A 131 5.580 8.447 -13.003 1.00 0.00 H new ATOM 0 HA ILE A 131 6.014 10.892 -14.500 1.00 0.00 H new ATOM 0 HB ILE A 131 6.346 7.999 -15.330 1.00 0.00 H new ATOM 0 HG12 ILE A 131 8.847 8.750 -15.213 1.00 0.00 H new ATOM 0 HG13 ILE A 131 8.257 10.002 -14.139 1.00 0.00 H new ATOM 0 HG21 ILE A 131 7.677 8.960 -17.193 1.00 0.00 H new ATOM 0 HG22 ILE A 131 5.986 9.511 -17.235 1.00 0.00 H new ATOM 0 HG23 ILE A 131 7.260 10.597 -16.631 1.00 0.00 H new ATOM 0 HD11 ILE A 131 9.073 8.077 -12.876 1.00 0.00 H new ATOM 0 HD12 ILE A 131 7.323 8.287 -12.631 1.00 0.00 H new ATOM 0 HD13 ILE A 131 7.922 7.015 -13.722 1.00 0.00 H new ATOM 2016 N GLU A 132 3.939 10.894 -15.859 1.00 0.00 N ATOM 2017 CA GLU A 132 2.696 10.979 -16.602 1.00 0.00 C ATOM 2018 C GLU A 132 2.866 10.291 -17.946 1.00 0.00 C ATOM 2019 O GLU A 132 3.414 10.863 -18.895 1.00 0.00 O ATOM 2020 CB GLU A 132 2.280 12.440 -16.777 1.00 0.00 C ATOM 2021 CG GLU A 132 2.184 13.193 -15.458 1.00 0.00 C ATOM 2022 CD GLU A 132 1.767 14.638 -15.629 1.00 0.00 C ATOM 2023 OE1 GLU A 132 2.551 15.425 -16.203 1.00 0.00 O ATOM 2024 OE2 GLU A 132 0.670 15.007 -15.165 1.00 0.00 O ATOM 0 H GLU A 132 4.462 11.769 -15.817 1.00 0.00 H new ATOM 0 HA GLU A 132 1.904 10.474 -16.049 1.00 0.00 H new ATOM 0 HB2 GLU A 132 2.999 12.942 -17.424 1.00 0.00 H new ATOM 0 HB3 GLU A 132 1.315 12.479 -17.283 1.00 0.00 H new ATOM 0 HG2 GLU A 132 1.468 12.688 -14.810 1.00 0.00 H new ATOM 0 HG3 GLU A 132 3.150 13.157 -14.955 1.00 0.00 H new