USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 719 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 ASN : amide:sc= -2.96 K(o=-4.2,f=-7.7!) USER MOD Set 1.2: A 41 GLN : amide:sc= -1.21 K(o=-4.2,f=-4.9) USER MOD Single : A 2 SER OG : rot 17:sc= 0.729 USER MOD Single : A 5 THR OG1 : rot -31:sc= 0.0322 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.392 K(o=-0.39,f=-6.2!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 50 LYS NZ :NH3+ -169:sc= -0.143 (180deg=-0.388) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.139 F(o=-0.96,f=-0.14) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 140:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 GLN : amide:sc= -0.219 K(o=-0.22,f=-3) USER MOD Single : A 88 LYS NZ :NH3+ 177:sc= 0.109 (180deg=0.107) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0762) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 2.589 1.506 0.204 1.00 0.00 N ATOM 19 CA SER A 2 3.078 2.833 -0.152 1.00 0.00 C ATOM 20 C SER A 2 2.365 3.910 0.661 1.00 0.00 C ATOM 21 O SER A 2 1.181 4.177 0.456 1.00 0.00 O ATOM 22 CB SER A 2 2.877 3.090 -1.646 1.00 0.00 C ATOM 23 OG SER A 2 2.684 1.876 -2.351 1.00 0.00 O ATOM 0 HA SER A 2 4.143 2.874 0.076 1.00 0.00 H new ATOM 0 HB2 SER A 2 2.015 3.741 -1.793 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.744 3.614 -2.048 1.00 0.00 H new ATOM 0 HG SER A 2 2.445 1.166 -1.720 1.00 0.00 H new ATOM 29 N VAL A 3 3.096 4.526 1.585 1.00 0.00 N ATOM 30 CA VAL A 3 2.537 5.575 2.429 1.00 0.00 C ATOM 31 C VAL A 3 2.291 6.850 1.630 1.00 0.00 C ATOM 32 O VAL A 3 1.393 7.629 1.948 1.00 0.00 O ATOM 33 CB VAL A 3 3.465 5.896 3.615 1.00 0.00 C ATOM 34 CG1 VAL A 3 2.963 7.117 4.371 1.00 0.00 C ATOM 35 CG2 VAL A 3 3.578 4.695 4.543 1.00 0.00 C ATOM 0 H VAL A 3 4.077 4.316 1.768 1.00 0.00 H new ATOM 0 HA VAL A 3 1.588 5.201 2.812 1.00 0.00 H new ATOM 0 HB VAL A 3 4.458 6.122 3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.631 7.328 5.206 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.938 7.975 3.700 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.960 6.923 4.750 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.238 4.939 5.376 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.591 4.437 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.987 3.847 3.993 1.00 0.00 H new ATOM 45 N GLU A 4 3.096 7.056 0.593 1.00 0.00 N ATOM 46 CA GLU A 4 2.965 8.238 -0.251 1.00 0.00 C ATOM 47 C GLU A 4 1.619 8.247 -0.970 1.00 0.00 C ATOM 48 O GLU A 4 0.942 9.274 -1.032 1.00 0.00 O ATOM 49 CB GLU A 4 4.103 8.290 -1.274 1.00 0.00 C ATOM 50 CG GLU A 4 4.524 9.702 -1.644 1.00 0.00 C ATOM 51 CD GLU A 4 5.601 10.249 -0.727 1.00 0.00 C ATOM 52 OE1 GLU A 4 5.403 11.350 -0.171 1.00 0.00 O ATOM 53 OE2 GLU A 4 6.641 9.577 -0.565 1.00 0.00 O ATOM 0 H GLU A 4 3.845 6.421 0.317 1.00 0.00 H new ATOM 0 HA GLU A 4 3.021 9.118 0.389 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.965 7.756 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 4 3.793 7.764 -2.177 1.00 0.00 H new ATOM 0 HG2 GLU A 4 4.888 9.711 -2.671 1.00 0.00 H new ATOM 0 HG3 GLU A 4 3.654 10.358 -1.608 1.00 0.00 H new ATOM 60 N THR A 5 1.238 7.096 -1.514 1.00 0.00 N ATOM 61 CA THR A 5 -0.025 6.970 -2.230 1.00 0.00 C ATOM 62 C THR A 5 -1.210 7.228 -1.306 1.00 0.00 C ATOM 63 O THR A 5 -2.336 7.422 -1.764 1.00 0.00 O ATOM 64 CB THR A 5 -0.176 5.574 -2.863 1.00 0.00 C ATOM 65 OG1 THR A 5 -1.160 5.611 -3.903 1.00 0.00 O ATOM 66 CG2 THR A 5 -0.577 4.546 -1.815 1.00 0.00 C ATOM 0 H THR A 5 1.787 6.237 -1.472 1.00 0.00 H new ATOM 0 HA THR A 5 -0.015 7.720 -3.021 1.00 0.00 H new ATOM 0 HB THR A 5 0.786 5.284 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.838 6.285 -3.688 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.678 3.568 -2.285 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.188 4.499 -1.040 1.00 0.00 H new ATOM 0 HG23 THR A 5 -1.529 4.834 -1.369 1.00 0.00 H new ATOM 74 N ILE A 6 -0.948 7.228 -0.003 1.00 0.00 N ATOM 75 CA ILE A 6 -1.993 7.464 0.985 1.00 0.00 C ATOM 76 C ILE A 6 -2.235 8.956 1.185 1.00 0.00 C ATOM 77 O ILE A 6 -3.367 9.431 1.085 1.00 0.00 O ATOM 78 CB ILE A 6 -1.639 6.827 2.342 1.00 0.00 C ATOM 79 CG1 ILE A 6 -0.869 5.521 2.132 1.00 0.00 C ATOM 80 CG2 ILE A 6 -2.900 6.580 3.157 1.00 0.00 C ATOM 81 CD1 ILE A 6 -1.626 4.499 1.313 1.00 0.00 C ATOM 0 H ILE A 6 -0.022 7.067 0.392 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.901 7.000 0.600 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.002 7.517 2.895 1.00 0.00 H new ATOM 0 HG12 ILE A 6 0.077 5.742 1.638 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.628 5.090 3.104 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.633 6.130 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -3.411 7.527 3.332 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -3.560 5.907 2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.021 3.599 1.204 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.560 4.249 1.816 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.843 4.911 0.328 1.00 0.00 H new ATOM 93 N ILE A 7 -1.164 9.691 1.466 1.00 0.00 N ATOM 94 CA ILE A 7 -1.260 11.130 1.676 1.00 0.00 C ATOM 95 C ILE A 7 -1.478 11.865 0.358 1.00 0.00 C ATOM 96 O ILE A 7 -2.169 12.882 0.311 1.00 0.00 O ATOM 97 CB ILE A 7 0.005 11.685 2.357 1.00 0.00 C ATOM 98 CG1 ILE A 7 0.117 11.151 3.787 1.00 0.00 C ATOM 99 CG2 ILE A 7 -0.015 13.206 2.354 1.00 0.00 C ATOM 100 CD1 ILE A 7 -0.938 11.701 4.721 1.00 0.00 C ATOM 0 H ILE A 7 -0.220 9.314 1.553 1.00 0.00 H new ATOM 0 HA ILE A 7 -2.117 11.297 2.328 1.00 0.00 H new ATOM 0 HB ILE A 7 0.878 11.352 1.795 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.042 10.064 3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.103 11.396 4.181 1.00 0.00 H new ATOM 0 HG21 ILE A 7 0.886 13.583 2.839 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.052 13.567 1.326 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.893 13.559 2.895 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.798 11.280 5.717 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.850 12.786 4.771 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.927 11.434 4.350 1.00 0.00 H new ATOM 112 N GLU A 8 -0.885 11.342 -0.710 1.00 0.00 N ATOM 113 CA GLU A 8 -1.016 11.948 -2.030 1.00 0.00 C ATOM 114 C GLU A 8 -2.475 12.271 -2.338 1.00 0.00 C ATOM 115 O GLU A 8 -2.794 13.363 -2.809 1.00 0.00 O ATOM 116 CB GLU A 8 -0.451 11.015 -3.103 1.00 0.00 C ATOM 117 CG GLU A 8 0.992 11.316 -3.473 1.00 0.00 C ATOM 118 CD GLU A 8 1.176 11.552 -4.959 1.00 0.00 C ATOM 119 OE1 GLU A 8 1.119 10.569 -5.727 1.00 0.00 O ATOM 120 OE2 GLU A 8 1.378 12.719 -5.354 1.00 0.00 O ATOM 0 H GLU A 8 -0.309 10.500 -0.687 1.00 0.00 H new ATOM 0 HA GLU A 8 -0.448 12.878 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -0.520 9.986 -2.750 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.069 11.087 -3.998 1.00 0.00 H new ATOM 0 HG2 GLU A 8 1.328 12.196 -2.925 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.624 10.485 -3.160 1.00 0.00 H new ATOM 127 N ARG A 9 -3.357 11.314 -2.068 1.00 0.00 N ATOM 128 CA ARG A 9 -4.781 11.495 -2.318 1.00 0.00 C ATOM 129 C ARG A 9 -5.374 12.526 -1.363 1.00 0.00 C ATOM 130 O ARG A 9 -6.305 13.251 -1.716 1.00 0.00 O ATOM 131 CB ARG A 9 -5.520 10.163 -2.170 1.00 0.00 C ATOM 132 CG ARG A 9 -5.427 9.275 -3.400 1.00 0.00 C ATOM 133 CD ARG A 9 -6.033 7.904 -3.144 1.00 0.00 C ATOM 134 NE ARG A 9 -6.826 7.435 -4.277 1.00 0.00 N ATOM 135 CZ ARG A 9 -6.296 6.959 -5.398 1.00 0.00 C ATOM 136 NH1 ARG A 9 -4.979 6.889 -5.535 1.00 0.00 N ATOM 137 NH2 ARG A 9 -7.084 6.552 -6.385 1.00 0.00 N ATOM 0 H ARG A 9 -3.110 10.405 -1.676 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.902 11.859 -3.338 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.115 9.626 -1.313 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.570 10.362 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.942 9.752 -4.234 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.383 9.164 -3.692 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.237 7.189 -2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.662 7.946 -2.254 1.00 0.00 H new ATOM 0 HE ARG A 9 -7.843 7.475 -4.203 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -4.370 7.201 -4.778 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -4.575 6.523 -6.397 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -8.098 6.605 -6.283 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -6.676 6.187 -7.246 1.00 0.00 H new ATOM 151 N ILE A 10 -4.829 12.586 -0.152 1.00 0.00 N ATOM 152 CA ILE A 10 -5.304 13.529 0.853 1.00 0.00 C ATOM 153 C ILE A 10 -4.979 14.965 0.456 1.00 0.00 C ATOM 154 O ILE A 10 -5.866 15.815 0.376 1.00 0.00 O ATOM 155 CB ILE A 10 -4.687 13.237 2.234 1.00 0.00 C ATOM 156 CG1 ILE A 10 -5.346 12.007 2.861 1.00 0.00 C ATOM 157 CG2 ILE A 10 -4.834 14.447 3.145 1.00 0.00 C ATOM 158 CD1 ILE A 10 -4.498 11.344 3.924 1.00 0.00 C ATOM 0 H ILE A 10 -4.059 11.993 0.156 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.386 13.408 0.914 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.625 13.030 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.300 12.299 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.564 11.282 2.077 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.394 14.226 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -4.323 15.301 2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -5.891 14.682 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.027 10.480 4.325 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.554 11.020 3.487 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -4.301 12.054 4.728 1.00 0.00 H new ATOM 170 N LYS A 11 -3.701 15.230 0.208 1.00 0.00 N ATOM 171 CA LYS A 11 -3.257 16.562 -0.184 1.00 0.00 C ATOM 172 C LYS A 11 -3.895 16.982 -1.504 1.00 0.00 C ATOM 173 O LYS A 11 -4.439 18.080 -1.619 1.00 0.00 O ATOM 174 CB LYS A 11 -1.732 16.598 -0.309 1.00 0.00 C ATOM 175 CG LYS A 11 -1.011 15.928 0.848 1.00 0.00 C ATOM 176 CD LYS A 11 0.497 16.055 0.714 1.00 0.00 C ATOM 177 CE LYS A 11 0.933 17.512 0.679 1.00 0.00 C ATOM 178 NZ LYS A 11 1.657 17.844 -0.579 1.00 0.00 N ATOM 0 H LYS A 11 -2.954 14.539 0.272 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.569 17.263 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.440 16.110 -1.239 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.406 17.636 -0.377 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -1.333 16.377 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.286 14.874 0.888 1.00 0.00 H new ATOM 0 HD2 LYS A 11 0.981 15.549 1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.826 15.554 -0.196 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.058 18.155 0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.577 17.719 1.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.937 18.845 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 2.506 17.248 -0.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.034 17.671 -1.394 1.00 0.00 H new ATOM 192 N ALA A 12 -3.827 16.101 -2.496 1.00 0.00 N ATOM 193 CA ALA A 12 -4.401 16.379 -3.806 1.00 0.00 C ATOM 194 C ALA A 12 -5.853 16.829 -3.685 1.00 0.00 C ATOM 195 O ALA A 12 -6.306 17.703 -4.425 1.00 0.00 O ATOM 196 CB ALA A 12 -4.300 15.151 -4.699 1.00 0.00 C ATOM 0 H ALA A 12 -3.380 15.188 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.832 17.191 -4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.733 15.374 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.253 14.875 -4.821 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -4.842 14.323 -4.242 1.00 0.00 H new ATOM 202 N ARG A 13 -6.578 16.227 -2.748 1.00 0.00 N ATOM 203 CA ARG A 13 -7.979 16.565 -2.532 1.00 0.00 C ATOM 204 C ARG A 13 -8.110 17.830 -1.689 1.00 0.00 C ATOM 205 O ARG A 13 -8.916 18.710 -1.991 1.00 0.00 O ATOM 206 CB ARG A 13 -8.706 15.406 -1.846 1.00 0.00 C ATOM 207 CG ARG A 13 -8.881 14.186 -2.736 1.00 0.00 C ATOM 208 CD ARG A 13 -10.218 14.211 -3.460 1.00 0.00 C ATOM 209 NE ARG A 13 -11.335 13.957 -2.554 1.00 0.00 N ATOM 210 CZ ARG A 13 -12.606 14.168 -2.878 1.00 0.00 C ATOM 211 NH1 ARG A 13 -12.919 14.632 -4.080 1.00 0.00 N ATOM 212 NH2 ARG A 13 -13.567 13.912 -2.000 1.00 0.00 N ATOM 0 H ARG A 13 -6.218 15.503 -2.126 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.436 16.748 -3.505 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.151 15.118 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.687 15.748 -1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.072 14.147 -3.465 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.810 13.281 -2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.353 15.181 -3.939 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.216 13.462 -4.252 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.128 13.598 -1.622 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.183 14.828 -4.759 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.896 14.793 -4.326 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.330 13.553 -1.075 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.543 14.074 -2.250 1.00 0.00 H new ATOM 226 N VAL A 14 -7.311 17.914 -0.630 1.00 0.00 N ATOM 227 CA VAL A 14 -7.336 19.072 0.257 1.00 0.00 C ATOM 228 C VAL A 14 -7.291 20.373 -0.537 1.00 0.00 C ATOM 229 O VAL A 14 -8.008 21.324 -0.230 1.00 0.00 O ATOM 230 CB VAL A 14 -6.156 19.046 1.246 1.00 0.00 C ATOM 231 CG1 VAL A 14 -6.086 20.349 2.028 1.00 0.00 C ATOM 232 CG2 VAL A 14 -6.276 17.856 2.187 1.00 0.00 C ATOM 0 H VAL A 14 -6.638 17.194 -0.365 1.00 0.00 H new ATOM 0 HA VAL A 14 -8.270 19.023 0.816 1.00 0.00 H new ATOM 0 HB VAL A 14 -5.231 18.940 0.679 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.246 20.312 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.950 21.181 1.337 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.012 20.489 2.586 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -5.434 17.853 2.879 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.207 17.929 2.749 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.273 16.933 1.608 1.00 0.00 H new ATOM 242 N GLY A 15 -6.443 20.407 -1.561 1.00 0.00 N ATOM 243 CA GLY A 15 -6.321 21.596 -2.383 1.00 0.00 C ATOM 244 C GLY A 15 -7.655 22.059 -2.936 1.00 0.00 C ATOM 245 O GLY A 15 -7.849 23.246 -3.192 1.00 0.00 O ATOM 0 H GLY A 15 -5.839 19.632 -1.835 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.878 22.398 -1.793 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -5.639 21.394 -3.209 1.00 0.00 H new ATOM 249 N ALA A 16 -8.575 21.118 -3.121 1.00 0.00 N ATOM 250 CA ALA A 16 -9.897 21.436 -3.647 1.00 0.00 C ATOM 251 C ALA A 16 -10.948 21.406 -2.543 1.00 0.00 C ATOM 252 O ALA A 16 -11.935 22.140 -2.591 1.00 0.00 O ATOM 253 CB ALA A 16 -10.269 20.467 -4.759 1.00 0.00 C ATOM 0 H ALA A 16 -8.429 20.130 -2.915 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.866 22.446 -4.056 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -11.258 20.716 -5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -9.538 20.540 -5.565 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -10.277 19.450 -4.368 1.00 0.00 H new ATOM 398 N LEU A 26 -12.294 22.939 13.038 1.00 0.00 N ATOM 399 CA LEU A 26 -11.066 23.514 12.499 1.00 0.00 C ATOM 400 C LEU A 26 -9.905 23.328 13.470 1.00 0.00 C ATOM 401 O LEU A 26 -9.964 23.770 14.617 1.00 0.00 O ATOM 402 CB LEU A 26 -11.264 25.002 12.202 1.00 0.00 C ATOM 403 CG LEU A 26 -11.229 25.938 13.411 1.00 0.00 C ATOM 404 CD1 LEU A 26 -11.388 27.385 12.970 1.00 0.00 C ATOM 405 CD2 LEU A 26 -12.313 25.560 14.409 1.00 0.00 C ATOM 0 HA LEU A 26 -10.827 22.993 11.572 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -10.492 25.318 11.501 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.223 25.127 11.698 1.00 0.00 H new ATOM 0 HG LEU A 26 -10.261 25.833 13.900 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -11.361 28.037 13.843 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -10.576 27.651 12.294 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.342 27.506 12.457 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.273 26.236 15.263 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.290 25.636 13.931 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -12.154 24.537 14.749 1.00 0.00 H new ATOM 417 N GLY A 27 -8.848 22.671 13.002 1.00 0.00 N ATOM 418 CA GLY A 27 -7.687 22.439 13.841 1.00 0.00 C ATOM 419 C GLY A 27 -6.584 21.698 13.113 1.00 0.00 C ATOM 420 O GLY A 27 -6.336 21.942 11.932 1.00 0.00 O ATOM 0 H GLY A 27 -8.775 22.295 12.057 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -7.304 23.395 14.198 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.986 21.867 14.720 1.00 0.00 H new ATOM 424 N VAL A 28 -5.918 20.789 13.819 1.00 0.00 N ATOM 425 CA VAL A 28 -4.834 20.009 13.233 1.00 0.00 C ATOM 426 C VAL A 28 -4.765 18.616 13.847 1.00 0.00 C ATOM 427 O VAL A 28 -5.044 18.433 15.032 1.00 0.00 O ATOM 428 CB VAL A 28 -3.474 20.709 13.419 1.00 0.00 C ATOM 429 CG1 VAL A 28 -2.446 20.144 12.451 1.00 0.00 C ATOM 430 CG2 VAL A 28 -3.620 22.212 13.239 1.00 0.00 C ATOM 0 H VAL A 28 -6.110 20.575 14.798 1.00 0.00 H new ATOM 0 HA VAL A 28 -5.047 19.923 12.167 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.123 20.521 14.434 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.492 20.650 12.597 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.322 19.077 12.634 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -2.786 20.299 11.427 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.650 22.691 13.374 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.993 22.424 12.237 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.322 22.600 13.977 1.00 0.00 H new ATOM 440 N PHE A 29 -4.391 17.634 13.033 1.00 0.00 N ATOM 441 CA PHE A 29 -4.286 16.255 13.495 1.00 0.00 C ATOM 442 C PHE A 29 -2.895 15.693 13.217 1.00 0.00 C ATOM 443 O PHE A 29 -2.171 16.198 12.359 1.00 0.00 O ATOM 444 CB PHE A 29 -5.346 15.385 12.817 1.00 0.00 C ATOM 445 CG PHE A 29 -6.754 15.804 13.128 1.00 0.00 C ATOM 446 CD1 PHE A 29 -7.070 16.364 14.355 1.00 0.00 C ATOM 447 CD2 PHE A 29 -7.763 15.637 12.192 1.00 0.00 C ATOM 448 CE1 PHE A 29 -8.365 16.751 14.644 1.00 0.00 C ATOM 449 CE2 PHE A 29 -9.060 16.022 12.476 1.00 0.00 C ATOM 450 CZ PHE A 29 -9.361 16.579 13.703 1.00 0.00 C ATOM 0 H PHE A 29 -4.156 17.768 12.050 1.00 0.00 H new ATOM 0 HA PHE A 29 -4.454 16.245 14.572 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.196 15.418 11.738 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.207 14.349 13.127 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.295 16.500 15.095 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.533 15.201 11.231 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.598 17.187 15.604 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.837 15.887 11.739 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.374 16.880 13.927 1.00 0.00 H new ATOM 460 N GLN A 30 -2.530 14.645 13.949 1.00 0.00 N ATOM 461 CA GLN A 30 -1.225 14.015 13.781 1.00 0.00 C ATOM 462 C GLN A 30 -1.375 12.559 13.353 1.00 0.00 C ATOM 463 O GLN A 30 -1.638 11.682 14.178 1.00 0.00 O ATOM 464 CB GLN A 30 -0.425 14.097 15.083 1.00 0.00 C ATOM 465 CG GLN A 30 1.041 13.732 14.919 1.00 0.00 C ATOM 466 CD GLN A 30 1.679 14.401 13.717 1.00 0.00 C ATOM 467 OE1 GLN A 30 1.442 15.580 13.451 1.00 0.00 O ATOM 468 NE2 GLN A 30 2.493 13.651 12.984 1.00 0.00 N ATOM 0 H GLN A 30 -3.118 14.215 14.663 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.688 14.551 12.998 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.497 15.109 15.481 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.876 13.432 15.820 1.00 0.00 H new ATOM 0 HG2 GLN A 30 1.585 14.017 15.820 1.00 0.00 H new ATOM 0 HG3 GLN A 30 1.133 12.650 14.819 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.661 12.678 13.242 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.951 14.047 12.163 1.00 0.00 H new ATOM 477 N LEU A 31 -1.208 12.308 12.060 1.00 0.00 N ATOM 478 CA LEU A 31 -1.326 10.957 11.521 1.00 0.00 C ATOM 479 C LEU A 31 -0.002 10.208 11.637 1.00 0.00 C ATOM 480 O LEU A 31 1.070 10.804 11.547 1.00 0.00 O ATOM 481 CB LEU A 31 -1.770 11.007 10.058 1.00 0.00 C ATOM 482 CG LEU A 31 -3.227 11.400 9.812 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.356 12.192 8.520 1.00 0.00 C ATOM 484 CD2 LEU A 31 -4.113 10.163 9.772 1.00 0.00 C ATOM 0 H LEU A 31 -0.990 13.022 11.365 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.077 10.424 12.104 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.130 11.713 9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.599 10.027 9.614 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.557 12.033 10.636 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.400 12.463 8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.752 13.097 8.586 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.008 11.584 7.685 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.147 10.461 9.596 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.783 9.505 8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.045 9.636 10.723 1.00 0.00 H new ATOM 496 N ASN A 32 -0.086 8.896 11.836 1.00 0.00 N ATOM 497 CA ASN A 32 1.105 8.064 11.963 1.00 0.00 C ATOM 498 C ASN A 32 0.870 6.683 11.360 1.00 0.00 C ATOM 499 O ASN A 32 -0.113 6.014 11.680 1.00 0.00 O ATOM 500 CB ASN A 32 1.505 7.930 13.433 1.00 0.00 C ATOM 501 CG ASN A 32 1.024 9.099 14.272 1.00 0.00 C ATOM 502 OD1 ASN A 32 1.413 10.244 14.042 1.00 0.00 O ATOM 503 ND2 ASN A 32 0.174 8.814 15.251 1.00 0.00 N ATOM 0 H ASN A 32 -0.966 8.387 11.913 1.00 0.00 H new ATOM 0 HA ASN A 32 1.915 8.547 11.416 1.00 0.00 H new ATOM 0 HB2 ASN A 32 1.094 7.004 13.836 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.590 7.856 13.506 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.184 9.559 15.849 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.121 7.850 15.405 1.00 0.00 H new ATOM 510 N ILE A 33 1.779 6.261 10.487 1.00 0.00 N ATOM 511 CA ILE A 33 1.672 4.959 9.842 1.00 0.00 C ATOM 512 C ILE A 33 2.468 3.902 10.600 1.00 0.00 C ATOM 513 O ILE A 33 3.355 4.225 11.390 1.00 0.00 O ATOM 514 CB ILE A 33 2.167 5.011 8.384 1.00 0.00 C ATOM 515 CG1 ILE A 33 1.818 6.360 7.752 1.00 0.00 C ATOM 516 CG2 ILE A 33 1.563 3.870 7.579 1.00 0.00 C ATOM 517 CD1 ILE A 33 0.338 6.671 7.769 1.00 0.00 C ATOM 0 H ILE A 33 2.598 6.803 10.210 1.00 0.00 H new ATOM 0 HA ILE A 33 0.616 4.689 9.850 1.00 0.00 H new ATOM 0 HB ILE A 33 3.251 4.899 8.379 1.00 0.00 H new ATOM 0 HG12 ILE A 33 2.353 7.149 8.281 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.171 6.371 6.721 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.922 3.920 6.551 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.857 2.918 8.020 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.476 3.954 7.588 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.165 7.642 7.305 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.202 5.903 7.215 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.017 6.693 8.799 1.00 0.00 H new ATOM 529 N LYS A 34 2.146 2.637 10.354 1.00 0.00 N ATOM 530 CA LYS A 34 2.832 1.530 11.010 1.00 0.00 C ATOM 531 C LYS A 34 3.552 0.654 9.989 1.00 0.00 C ATOM 532 O LYS A 34 2.921 -0.098 9.246 1.00 0.00 O ATOM 533 CB LYS A 34 1.836 0.687 11.809 1.00 0.00 C ATOM 534 CG LYS A 34 2.347 -0.703 12.145 1.00 0.00 C ATOM 535 CD LYS A 34 1.940 -1.123 13.547 1.00 0.00 C ATOM 536 CE LYS A 34 1.931 -2.637 13.694 1.00 0.00 C ATOM 537 NZ LYS A 34 1.151 -3.074 14.885 1.00 0.00 N ATOM 0 H LYS A 34 1.413 2.352 9.704 1.00 0.00 H new ATOM 0 HA LYS A 34 3.573 1.948 11.691 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.592 1.209 12.734 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.911 0.597 11.240 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.957 -1.420 11.422 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.433 -0.723 12.059 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.629 -0.690 14.272 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.949 -0.728 13.773 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.506 -3.086 12.797 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.955 -3.000 13.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.169 -4.112 14.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 1.571 -2.666 15.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.167 -2.750 14.794 1.00 0.00 H new ATOM 551 N THR A 35 4.877 0.756 9.958 1.00 0.00 N ATOM 552 CA THR A 35 5.682 -0.027 9.029 1.00 0.00 C ATOM 553 C THR A 35 6.847 -0.702 9.745 1.00 0.00 C ATOM 554 O THR A 35 7.131 -0.404 10.905 1.00 0.00 O ATOM 555 CB THR A 35 6.233 0.848 7.888 1.00 0.00 C ATOM 556 OG1 THR A 35 6.916 0.032 6.930 1.00 0.00 O ATOM 557 CG2 THR A 35 7.183 1.907 8.428 1.00 0.00 C ATOM 0 H THR A 35 5.415 1.373 10.566 1.00 0.00 H new ATOM 0 HA THR A 35 5.027 -0.790 8.608 1.00 0.00 H new ATOM 0 HB THR A 35 5.393 1.348 7.406 1.00 0.00 H new ATOM 0 HG1 THR A 35 7.262 0.596 6.207 1.00 0.00 H new ATOM 0 HG21 THR A 35 7.559 2.513 7.604 1.00 0.00 H new ATOM 0 HG22 THR A 35 6.653 2.545 9.135 1.00 0.00 H new ATOM 0 HG23 THR A 35 8.019 1.423 8.933 1.00 0.00 H new ATOM 565 N ALA A 36 7.518 -1.611 9.046 1.00 0.00 N ATOM 566 CA ALA A 36 8.654 -2.326 9.614 1.00 0.00 C ATOM 567 C ALA A 36 9.844 -1.394 9.816 1.00 0.00 C ATOM 568 O ALA A 36 10.714 -1.654 10.646 1.00 0.00 O ATOM 569 CB ALA A 36 9.042 -3.495 8.721 1.00 0.00 C ATOM 0 H ALA A 36 7.294 -1.870 8.085 1.00 0.00 H new ATOM 0 HA ALA A 36 8.358 -2.711 10.590 1.00 0.00 H new ATOM 0 HB1 ALA A 36 9.892 -4.020 9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 36 8.199 -4.180 8.632 1.00 0.00 H new ATOM 0 HB3 ALA A 36 9.314 -3.124 7.733 1.00 0.00 H new ATOM 575 N SER A 37 9.875 -0.308 9.050 1.00 0.00 N ATOM 576 CA SER A 37 10.962 0.660 9.141 1.00 0.00 C ATOM 577 C SER A 37 10.740 1.616 10.309 1.00 0.00 C ATOM 578 O SER A 37 11.667 2.288 10.761 1.00 0.00 O ATOM 579 CB SER A 37 11.081 1.450 7.837 1.00 0.00 C ATOM 580 OG SER A 37 12.378 1.325 7.281 1.00 0.00 O ATOM 0 H SER A 37 9.160 -0.076 8.360 1.00 0.00 H new ATOM 0 HA SER A 37 11.889 0.113 9.312 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.340 1.092 7.123 1.00 0.00 H new ATOM 0 HB3 SER A 37 10.862 2.501 8.024 1.00 0.00 H new ATOM 0 HG SER A 37 12.427 1.838 6.447 1.00 0.00 H new ATOM 586 N GLY A 38 9.503 1.672 10.794 1.00 0.00 N ATOM 587 CA GLY A 38 9.180 2.549 11.905 1.00 0.00 C ATOM 588 C GLY A 38 7.753 3.056 11.847 1.00 0.00 C ATOM 589 O GLY A 38 6.809 2.269 11.777 1.00 0.00 O ATOM 0 H GLY A 38 8.719 1.126 10.437 1.00 0.00 H new ATOM 0 HA2 GLY A 38 9.335 2.015 12.842 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.864 3.398 11.905 1.00 0.00 H new ATOM 593 N VAL A 39 7.594 4.375 11.879 1.00 0.00 N ATOM 594 CA VAL A 39 6.271 4.987 11.831 1.00 0.00 C ATOM 595 C VAL A 39 6.310 6.323 11.097 1.00 0.00 C ATOM 596 O VAL A 39 6.936 7.277 11.557 1.00 0.00 O ATOM 597 CB VAL A 39 5.703 5.207 13.245 1.00 0.00 C ATOM 598 CG1 VAL A 39 4.546 6.194 13.208 1.00 0.00 C ATOM 599 CG2 VAL A 39 5.266 3.884 13.855 1.00 0.00 C ATOM 0 H VAL A 39 8.365 5.041 11.938 1.00 0.00 H new ATOM 0 HA VAL A 39 5.623 4.298 11.290 1.00 0.00 H new ATOM 0 HB VAL A 39 6.489 5.628 13.872 1.00 0.00 H new ATOM 0 HG11 VAL A 39 4.157 6.337 14.216 1.00 0.00 H new ATOM 0 HG12 VAL A 39 4.895 7.149 12.815 1.00 0.00 H new ATOM 0 HG13 VAL A 39 3.756 5.804 12.566 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.867 4.058 14.854 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.495 3.432 13.230 1.00 0.00 H new ATOM 0 HG23 VAL A 39 6.122 3.212 13.918 1.00 0.00 H new ATOM 609 N GLU A 40 5.636 6.383 9.952 1.00 0.00 N ATOM 610 CA GLU A 40 5.594 7.603 9.155 1.00 0.00 C ATOM 611 C GLU A 40 4.612 8.608 9.749 1.00 0.00 C ATOM 612 O GLU A 40 3.401 8.389 9.737 1.00 0.00 O ATOM 613 CB GLU A 40 5.200 7.281 7.711 1.00 0.00 C ATOM 614 CG GLU A 40 6.342 6.720 6.880 1.00 0.00 C ATOM 615 CD GLU A 40 6.176 5.242 6.584 1.00 0.00 C ATOM 616 OE1 GLU A 40 6.757 4.770 5.584 1.00 0.00 O ATOM 617 OE2 GLU A 40 5.467 4.559 7.351 1.00 0.00 O ATOM 0 H GLU A 40 5.113 5.602 9.557 1.00 0.00 H new ATOM 0 HA GLU A 40 6.590 8.046 9.163 1.00 0.00 H new ATOM 0 HB2 GLU A 40 4.380 6.563 7.718 1.00 0.00 H new ATOM 0 HB3 GLU A 40 4.826 8.187 7.235 1.00 0.00 H new ATOM 0 HG2 GLU A 40 6.408 7.270 5.941 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.282 6.878 7.408 1.00 0.00 H new ATOM 624 N GLN A 41 5.144 9.710 10.269 1.00 0.00 N ATOM 625 CA GLN A 41 4.315 10.748 10.869 1.00 0.00 C ATOM 626 C GLN A 41 3.944 11.811 9.840 1.00 0.00 C ATOM 627 O GLN A 41 4.792 12.270 9.075 1.00 0.00 O ATOM 628 CB GLN A 41 5.044 11.395 12.048 1.00 0.00 C ATOM 629 CG GLN A 41 5.806 10.402 12.910 1.00 0.00 C ATOM 630 CD GLN A 41 5.345 10.409 14.355 1.00 0.00 C ATOM 631 OE1 GLN A 41 6.111 10.736 15.261 1.00 0.00 O ATOM 632 NE2 GLN A 41 4.087 10.047 14.576 1.00 0.00 N ATOM 0 H GLN A 41 6.145 9.906 10.287 1.00 0.00 H new ATOM 0 HA GLN A 41 3.398 10.282 11.230 1.00 0.00 H new ATOM 0 HB2 GLN A 41 5.740 12.143 11.668 1.00 0.00 H new ATOM 0 HB3 GLN A 41 4.319 11.921 12.669 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.683 9.400 12.498 1.00 0.00 H new ATOM 0 HG3 GLN A 41 6.870 10.634 12.871 1.00 0.00 H new ATOM 0 HE21 GLN A 41 3.487 9.784 13.794 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.720 10.032 15.528 1.00 0.00 H new ATOM 641 N TRP A 42 2.674 12.198 9.829 1.00 0.00 N ATOM 642 CA TRP A 42 2.191 13.207 8.893 1.00 0.00 C ATOM 643 C TRP A 42 1.353 14.259 9.611 1.00 0.00 C ATOM 644 O TRP A 42 0.676 13.960 10.596 1.00 0.00 O ATOM 645 CB TRP A 42 1.366 12.551 7.784 1.00 0.00 C ATOM 646 CG TRP A 42 2.206 11.933 6.707 1.00 0.00 C ATOM 647 CD1 TRP A 42 2.531 10.613 6.578 1.00 0.00 C ATOM 648 CD2 TRP A 42 2.827 12.610 5.610 1.00 0.00 C ATOM 649 NE1 TRP A 42 3.317 10.429 5.466 1.00 0.00 N ATOM 650 CE2 TRP A 42 3.513 11.639 4.855 1.00 0.00 C ATOM 651 CE3 TRP A 42 2.870 13.943 5.190 1.00 0.00 C ATOM 652 CZ2 TRP A 42 4.232 11.960 3.707 1.00 0.00 C ATOM 653 CZ3 TRP A 42 3.585 14.260 4.051 1.00 0.00 C ATOM 654 CH2 TRP A 42 4.257 13.272 3.319 1.00 0.00 C ATOM 0 H TRP A 42 1.960 11.829 10.457 1.00 0.00 H new ATOM 0 HA TRP A 42 3.057 13.699 8.450 1.00 0.00 H new ATOM 0 HB2 TRP A 42 0.727 11.784 8.221 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.709 13.298 7.339 1.00 0.00 H new ATOM 0 HD1 TRP A 42 2.217 9.829 7.251 1.00 0.00 H new ATOM 0 HE1 TRP A 42 3.693 9.536 5.147 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.353 14.711 5.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 4.752 11.200 3.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 3.627 15.287 3.719 1.00 0.00 H new ATOM 0 HH2 TRP A 42 4.805 13.551 2.431 1.00 0.00 H new ATOM 665 N ILE A 43 1.402 15.490 9.114 1.00 0.00 N ATOM 666 CA ILE A 43 0.646 16.585 9.708 1.00 0.00 C ATOM 667 C ILE A 43 -0.454 17.068 8.769 1.00 0.00 C ATOM 668 O ILE A 43 -0.206 17.341 7.594 1.00 0.00 O ATOM 669 CB ILE A 43 1.560 17.773 10.063 1.00 0.00 C ATOM 670 CG1 ILE A 43 2.664 17.326 11.024 1.00 0.00 C ATOM 671 CG2 ILE A 43 0.746 18.904 10.673 1.00 0.00 C ATOM 672 CD1 ILE A 43 4.012 17.943 10.724 1.00 0.00 C ATOM 0 H ILE A 43 1.958 15.754 8.301 1.00 0.00 H new ATOM 0 HA ILE A 43 0.196 16.197 10.622 1.00 0.00 H new ATOM 0 HB ILE A 43 2.026 18.139 9.148 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.374 17.584 12.043 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.753 16.240 10.983 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.406 19.736 10.918 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.007 19.237 9.959 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.255 18.551 11.580 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.746 17.582 11.444 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.324 17.664 9.717 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.939 19.028 10.794 1.00 0.00 H new ATOM 684 N VAL A 44 -1.670 17.172 9.295 1.00 0.00 N ATOM 685 CA VAL A 44 -2.808 17.625 8.505 1.00 0.00 C ATOM 686 C VAL A 44 -3.595 18.703 9.242 1.00 0.00 C ATOM 687 O VAL A 44 -3.798 18.619 10.453 1.00 0.00 O ATOM 688 CB VAL A 44 -3.754 16.458 8.163 1.00 0.00 C ATOM 689 CG1 VAL A 44 -4.695 16.176 9.325 1.00 0.00 C ATOM 690 CG2 VAL A 44 -4.536 16.761 6.894 1.00 0.00 C ATOM 0 H VAL A 44 -1.892 16.949 10.265 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.406 18.040 7.581 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.154 15.565 7.988 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.356 15.349 9.066 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.113 15.913 10.208 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.291 17.064 9.535 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.199 15.926 6.667 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.127 17.665 7.038 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.843 16.909 6.066 1.00 0.00 H new ATOM 700 N ASP A 45 -4.035 19.716 8.503 1.00 0.00 N ATOM 701 CA ASP A 45 -4.801 20.811 9.085 1.00 0.00 C ATOM 702 C ASP A 45 -6.233 20.813 8.559 1.00 0.00 C ATOM 703 O ASP A 45 -6.476 20.516 7.388 1.00 0.00 O ATOM 704 CB ASP A 45 -4.130 22.151 8.779 1.00 0.00 C ATOM 705 CG ASP A 45 -4.414 23.197 9.839 1.00 0.00 C ATOM 706 OD1 ASP A 45 -3.451 23.678 10.471 1.00 0.00 O ATOM 707 OD2 ASP A 45 -5.600 23.534 10.036 1.00 0.00 O ATOM 0 H ASP A 45 -3.874 19.801 7.499 1.00 0.00 H new ATOM 0 HA ASP A 45 -4.830 20.667 10.165 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -3.053 22.004 8.697 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -4.477 22.515 7.812 1.00 0.00 H new ATOM 712 N LEU A 46 -7.178 21.150 9.430 1.00 0.00 N ATOM 713 CA LEU A 46 -8.587 21.190 9.053 1.00 0.00 C ATOM 714 C LEU A 46 -9.010 22.607 8.680 1.00 0.00 C ATOM 715 O LEU A 46 -9.719 22.815 7.695 1.00 0.00 O ATOM 716 CB LEU A 46 -9.456 20.670 10.199 1.00 0.00 C ATOM 717 CG LEU A 46 -8.749 19.796 11.236 1.00 0.00 C ATOM 718 CD1 LEU A 46 -9.691 19.456 12.380 1.00 0.00 C ATOM 719 CD2 LEU A 46 -8.213 18.528 10.588 1.00 0.00 C ATOM 0 H LEU A 46 -6.994 21.399 10.402 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.724 20.549 8.182 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.894 21.526 10.713 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -10.280 20.098 9.773 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.907 20.356 11.642 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.170 18.834 13.108 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.025 20.375 12.862 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.554 18.915 11.992 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -7.713 17.918 11.341 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.039 17.964 10.154 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.503 18.792 9.805 1.00 0.00 H new ATOM 731 N LYS A 47 -8.570 23.578 9.472 1.00 0.00 N ATOM 732 CA LYS A 47 -8.900 24.977 9.224 1.00 0.00 C ATOM 733 C LYS A 47 -8.745 25.319 7.746 1.00 0.00 C ATOM 734 O LYS A 47 -9.721 25.638 7.068 1.00 0.00 O ATOM 735 CB LYS A 47 -8.006 25.890 10.066 1.00 0.00 C ATOM 736 CG LYS A 47 -7.848 25.428 11.504 1.00 0.00 C ATOM 737 CD LYS A 47 -8.021 26.578 12.482 1.00 0.00 C ATOM 738 CE LYS A 47 -6.712 27.319 12.708 1.00 0.00 C ATOM 739 NZ LYS A 47 -6.824 28.323 13.802 1.00 0.00 N ATOM 0 H LYS A 47 -7.983 23.422 10.292 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.940 25.135 9.508 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.022 25.949 9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.422 26.897 10.060 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -8.582 24.652 11.720 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.863 24.981 11.637 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.772 27.271 12.102 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.393 26.196 13.433 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.927 26.603 12.951 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.414 27.818 11.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.911 28.806 13.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.555 29.021 13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.084 27.844 14.688 1.00 0.00 H new ATOM 753 N GLN A 48 -7.512 25.248 7.253 1.00 0.00 N ATOM 754 CA GLN A 48 -7.231 25.549 5.854 1.00 0.00 C ATOM 755 C GLN A 48 -6.973 24.271 5.063 1.00 0.00 C ATOM 756 O GLN A 48 -7.234 23.167 5.544 1.00 0.00 O ATOM 757 CB GLN A 48 -6.024 26.483 5.745 1.00 0.00 C ATOM 758 CG GLN A 48 -6.082 27.665 6.698 1.00 0.00 C ATOM 759 CD GLN A 48 -4.883 28.583 6.562 1.00 0.00 C ATOM 760 OE1 GLN A 48 -3.771 28.134 6.282 1.00 0.00 O ATOM 761 NE2 GLN A 48 -5.103 29.878 6.760 1.00 0.00 N ATOM 0 H GLN A 48 -6.693 24.985 7.801 1.00 0.00 H new ATOM 0 HA GLN A 48 -8.105 26.045 5.432 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -5.115 25.913 5.941 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -5.954 26.854 4.723 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.993 28.233 6.511 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.140 27.298 7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.041 30.207 6.990 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -4.334 30.544 6.682 1.00 0.00 H new ATOM 770 N LEU A 49 -6.461 24.427 3.848 1.00 0.00 N ATOM 771 CA LEU A 49 -6.168 23.285 2.989 1.00 0.00 C ATOM 772 C LEU A 49 -4.665 23.137 2.773 1.00 0.00 C ATOM 773 O LEU A 49 -4.141 23.485 1.714 1.00 0.00 O ATOM 774 CB LEU A 49 -6.875 23.440 1.641 1.00 0.00 C ATOM 775 CG LEU A 49 -8.397 23.577 1.694 1.00 0.00 C ATOM 776 CD1 LEU A 49 -8.997 22.517 2.604 1.00 0.00 C ATOM 777 CD2 LEU A 49 -8.791 24.970 2.162 1.00 0.00 C ATOM 0 H LEU A 49 -6.240 25.333 3.435 1.00 0.00 H new ATOM 0 HA LEU A 49 -6.536 22.386 3.484 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -6.468 24.318 1.139 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -6.629 22.577 1.023 1.00 0.00 H new ATOM 0 HG LEU A 49 -8.791 23.428 0.689 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -10.081 22.630 2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -8.744 21.527 2.225 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -8.597 22.633 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -9.878 25.049 2.194 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -8.385 25.148 3.158 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.393 25.712 1.470 1.00 0.00 H new ATOM 789 N LYS A 50 -3.976 22.617 3.783 1.00 0.00 N ATOM 790 CA LYS A 50 -2.534 22.418 3.704 1.00 0.00 C ATOM 791 C LYS A 50 -2.135 21.076 4.309 1.00 0.00 C ATOM 792 O LYS A 50 -2.902 20.467 5.054 1.00 0.00 O ATOM 793 CB LYS A 50 -1.802 23.552 4.426 1.00 0.00 C ATOM 794 CG LYS A 50 -1.970 23.521 5.935 1.00 0.00 C ATOM 795 CD LYS A 50 -0.858 22.732 6.604 1.00 0.00 C ATOM 796 CE LYS A 50 0.183 23.652 7.224 1.00 0.00 C ATOM 797 NZ LYS A 50 0.629 24.706 6.272 1.00 0.00 N ATOM 0 H LYS A 50 -4.394 22.326 4.667 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.250 22.421 2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -0.740 23.498 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.166 24.507 4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.978 24.540 6.322 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -2.934 23.077 6.186 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.281 22.087 7.375 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.380 22.082 5.871 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.232 24.121 8.116 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.043 23.064 7.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.463 25.192 6.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.874 24.269 5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -0.138 25.394 6.131 1.00 0.00 H new ATOM 811 N VAL A 51 -0.929 20.621 3.984 1.00 0.00 N ATOM 812 CA VAL A 51 -0.427 19.352 4.498 1.00 0.00 C ATOM 813 C VAL A 51 1.085 19.393 4.682 1.00 0.00 C ATOM 814 O VAL A 51 1.804 19.985 3.876 1.00 0.00 O ATOM 815 CB VAL A 51 -0.787 18.185 3.559 1.00 0.00 C ATOM 816 CG1 VAL A 51 0.056 16.960 3.881 1.00 0.00 C ATOM 817 CG2 VAL A 51 -2.271 17.861 3.657 1.00 0.00 C ATOM 0 H VAL A 51 -0.282 21.112 3.367 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.903 19.192 5.465 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.570 18.486 2.534 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.213 16.146 3.207 1.00 0.00 H new ATOM 0 HG12 VAL A 51 1.111 17.201 3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.126 16.653 4.911 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.508 17.034 2.987 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.515 17.579 4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -2.854 18.737 3.373 1.00 0.00 H new ATOM 827 N ASP A 52 1.563 18.760 5.748 1.00 0.00 N ATOM 828 CA ASP A 52 2.992 18.723 6.038 1.00 0.00 C ATOM 829 C ASP A 52 3.413 17.337 6.519 1.00 0.00 C ATOM 830 O ASP A 52 2.580 16.541 6.952 1.00 0.00 O ATOM 831 CB ASP A 52 3.347 19.772 7.093 1.00 0.00 C ATOM 832 CG ASP A 52 2.410 20.963 7.064 1.00 0.00 C ATOM 833 OD1 ASP A 52 1.259 20.824 7.529 1.00 0.00 O ATOM 834 OD2 ASP A 52 2.827 22.034 6.577 1.00 0.00 O ATOM 0 H ASP A 52 0.982 18.266 6.425 1.00 0.00 H new ATOM 0 HA ASP A 52 3.531 18.948 5.118 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.317 19.314 8.081 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.369 20.114 6.932 1.00 0.00 H new ATOM 839 N GLN A 53 4.709 17.057 6.438 1.00 0.00 N ATOM 840 CA GLN A 53 5.240 15.767 6.863 1.00 0.00 C ATOM 841 C GLN A 53 5.997 15.897 8.181 1.00 0.00 C ATOM 842 O GLN A 53 6.712 16.873 8.404 1.00 0.00 O ATOM 843 CB GLN A 53 6.161 15.191 5.787 1.00 0.00 C ATOM 844 CG GLN A 53 6.314 13.680 5.862 1.00 0.00 C ATOM 845 CD GLN A 53 7.322 13.145 4.864 1.00 0.00 C ATOM 846 OE1 GLN A 53 7.260 13.643 3.635 1.00 0.00 O flip ATOM 847 NE2 GLN A 53 8.148 12.294 5.195 1.00 0.00 N flip ATOM 0 H GLN A 53 5.411 17.706 6.082 1.00 0.00 H new ATOM 0 HA GLN A 53 4.400 15.089 7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.772 15.460 4.805 1.00 0.00 H new ATOM 0 HB3 GLN A 53 7.144 15.652 5.877 1.00 0.00 H new ATOM 0 HG2 GLN A 53 6.622 13.399 6.869 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.346 13.211 5.682 1.00 0.00 H new ATOM 0 HE21 GLN A 53 8.159 11.939 6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.821 11.944 4.513 1.00 0.00 H new ATOM 856 N GLY A 54 5.835 14.906 9.052 1.00 0.00 N ATOM 857 CA GLY A 54 6.509 14.929 10.337 1.00 0.00 C ATOM 858 C GLY A 54 5.541 15.042 11.497 1.00 0.00 C ATOM 859 O GLY A 54 4.374 14.667 11.381 1.00 0.00 O ATOM 0 H GLY A 54 5.249 14.087 8.891 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.101 14.021 10.449 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.204 15.768 10.364 1.00 0.00 H new ATOM 863 N VAL A 55 6.025 15.559 12.622 1.00 0.00 N ATOM 864 CA VAL A 55 5.195 15.719 13.810 1.00 0.00 C ATOM 865 C VAL A 55 4.933 17.193 14.102 1.00 0.00 C ATOM 866 O VAL A 55 5.864 17.971 14.309 1.00 0.00 O ATOM 867 CB VAL A 55 5.850 15.071 15.044 1.00 0.00 C ATOM 868 CG1 VAL A 55 5.069 15.414 16.304 1.00 0.00 C ATOM 869 CG2 VAL A 55 5.951 13.564 14.863 1.00 0.00 C ATOM 0 H VAL A 55 6.988 15.874 12.735 1.00 0.00 H new ATOM 0 HA VAL A 55 4.249 15.218 13.605 1.00 0.00 H new ATOM 0 HB VAL A 55 6.859 15.469 15.151 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.546 14.948 17.166 1.00 0.00 H new ATOM 0 HG12 VAL A 55 5.053 16.495 16.439 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.048 15.045 16.211 1.00 0.00 H new ATOM 0 HG21 VAL A 55 6.416 13.122 15.744 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.953 13.146 14.731 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.556 13.343 13.984 1.00 0.00 H new ATOM 879 N PHE A 56 3.659 17.569 14.116 1.00 0.00 N ATOM 880 CA PHE A 56 3.273 18.950 14.383 1.00 0.00 C ATOM 881 C PHE A 56 3.796 19.409 15.741 1.00 0.00 C ATOM 882 O PHE A 56 3.841 18.633 16.695 1.00 0.00 O ATOM 883 CB PHE A 56 1.750 19.095 14.334 1.00 0.00 C ATOM 884 CG PHE A 56 1.290 20.493 14.032 1.00 0.00 C ATOM 885 CD1 PHE A 56 1.825 21.196 12.965 1.00 0.00 C ATOM 886 CD2 PHE A 56 0.324 21.103 14.814 1.00 0.00 C ATOM 887 CE1 PHE A 56 1.404 22.482 12.683 1.00 0.00 C ATOM 888 CE2 PHE A 56 -0.102 22.388 14.537 1.00 0.00 C ATOM 889 CZ PHE A 56 0.440 23.079 13.471 1.00 0.00 C ATOM 0 H PHE A 56 2.876 16.937 13.946 1.00 0.00 H new ATOM 0 HA PHE A 56 3.716 19.580 13.612 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.353 18.419 13.577 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.332 18.782 15.291 1.00 0.00 H new ATOM 0 HD1 PHE A 56 2.580 20.734 12.346 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -0.102 20.568 15.650 1.00 0.00 H new ATOM 0 HE1 PHE A 56 1.828 23.019 11.848 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.858 22.852 15.153 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.110 24.084 13.254 1.00 0.00 H new ATOM 899 N ALA A 57 4.190 20.676 15.819 1.00 0.00 N ATOM 900 CA ALA A 57 4.708 21.239 17.060 1.00 0.00 C ATOM 901 C ALA A 57 3.693 21.105 18.190 1.00 0.00 C ATOM 902 O ALA A 57 4.057 21.097 19.366 1.00 0.00 O ATOM 903 CB ALA A 57 5.087 22.699 16.859 1.00 0.00 C ATOM 0 H ALA A 57 4.160 21.331 15.038 1.00 0.00 H new ATOM 0 HA ALA A 57 5.600 20.678 17.340 1.00 0.00 H new ATOM 0 HB1 ALA A 57 5.472 23.107 17.794 1.00 0.00 H new ATOM 0 HB2 ALA A 57 5.853 22.773 16.087 1.00 0.00 H new ATOM 0 HB3 ALA A 57 4.207 23.264 16.552 1.00 0.00 H new ATOM 909 N SER A 58 2.419 21.000 17.826 1.00 0.00 N ATOM 910 CA SER A 58 1.351 20.871 18.810 1.00 0.00 C ATOM 911 C SER A 58 0.018 20.575 18.129 1.00 0.00 C ATOM 912 O SER A 58 -0.825 21.454 17.947 1.00 0.00 O ATOM 913 CB SER A 58 1.238 22.150 19.642 1.00 0.00 C ATOM 914 OG SER A 58 0.593 21.898 20.879 1.00 0.00 O ATOM 0 H SER A 58 2.101 21.002 16.857 1.00 0.00 H new ATOM 0 HA SER A 58 1.596 20.038 19.469 1.00 0.00 H new ATOM 0 HB2 SER A 58 2.232 22.559 19.823 1.00 0.00 H new ATOM 0 HB3 SER A 58 0.681 22.903 19.084 1.00 0.00 H new ATOM 0 HG SER A 58 0.534 22.730 21.393 1.00 0.00 H new ATOM 920 N PRO A 59 -0.179 19.306 17.742 1.00 0.00 N ATOM 921 CA PRO A 59 -1.407 18.863 17.075 1.00 0.00 C ATOM 922 C PRO A 59 -2.609 18.867 18.013 1.00 0.00 C ATOM 923 O PRO A 59 -2.456 18.868 19.235 1.00 0.00 O ATOM 924 CB PRO A 59 -1.076 17.434 16.636 1.00 0.00 C ATOM 925 CG PRO A 59 -0.021 16.981 17.584 1.00 0.00 C ATOM 926 CD PRO A 59 0.782 18.205 17.926 1.00 0.00 C ATOM 0 HA PRO A 59 -1.686 19.522 16.253 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -1.955 16.791 16.685 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.720 17.409 15.606 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -0.463 16.542 18.478 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.609 16.215 17.130 1.00 0.00 H new ATOM 0 HD2 PRO A 59 1.158 18.166 18.948 1.00 0.00 H new ATOM 0 HD3 PRO A 59 1.647 18.313 17.272 1.00 0.00 H new ATOM 934 N ASP A 60 -3.805 18.868 17.434 1.00 0.00 N ATOM 935 CA ASP A 60 -5.034 18.871 18.219 1.00 0.00 C ATOM 936 C ASP A 60 -5.434 17.450 18.607 1.00 0.00 C ATOM 937 O ASP A 60 -5.943 17.215 19.703 1.00 0.00 O ATOM 938 CB ASP A 60 -6.165 19.535 17.432 1.00 0.00 C ATOM 939 CG ASP A 60 -6.883 20.600 18.238 1.00 0.00 C ATOM 940 OD1 ASP A 60 -7.435 21.537 17.624 1.00 0.00 O ATOM 941 OD2 ASP A 60 -6.892 20.497 19.482 1.00 0.00 O ATOM 0 H ASP A 60 -3.949 18.867 16.424 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.853 19.440 19.131 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -5.759 19.982 16.525 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -6.881 18.775 17.120 1.00 0.00 H new ATOM 946 N VAL A 61 -5.201 16.507 17.700 1.00 0.00 N ATOM 947 CA VAL A 61 -5.536 15.110 17.947 1.00 0.00 C ATOM 948 C VAL A 61 -4.557 14.177 17.244 1.00 0.00 C ATOM 949 O VAL A 61 -4.162 14.418 16.103 1.00 0.00 O ATOM 950 CB VAL A 61 -6.967 14.784 17.477 1.00 0.00 C ATOM 951 CG1 VAL A 61 -7.347 13.364 17.867 1.00 0.00 C ATOM 952 CG2 VAL A 61 -7.957 15.787 18.050 1.00 0.00 C ATOM 0 H VAL A 61 -4.782 16.685 16.787 1.00 0.00 H new ATOM 0 HA VAL A 61 -5.471 14.955 19.024 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.999 14.857 16.390 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -8.361 13.152 17.527 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.654 12.662 17.403 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.299 13.259 18.951 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.962 15.542 17.708 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -7.925 15.749 19.139 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.694 16.790 17.714 1.00 0.00 H new ATOM 962 N THR A 62 -4.169 13.107 17.931 1.00 0.00 N ATOM 963 CA THR A 62 -3.235 12.137 17.374 1.00 0.00 C ATOM 964 C THR A 62 -3.943 10.836 17.016 1.00 0.00 C ATOM 965 O THR A 62 -4.624 10.238 17.849 1.00 0.00 O ATOM 966 CB THR A 62 -2.088 11.832 18.356 1.00 0.00 C ATOM 967 OG1 THR A 62 -1.564 13.052 18.891 1.00 0.00 O ATOM 968 CG2 THR A 62 -0.977 11.055 17.666 1.00 0.00 C ATOM 0 H THR A 62 -4.488 12.890 18.875 1.00 0.00 H new ATOM 0 HA THR A 62 -2.819 12.582 16.470 1.00 0.00 H new ATOM 0 HB THR A 62 -2.486 11.222 19.167 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.836 12.849 19.516 1.00 0.00 H new ATOM 0 HG21 THR A 62 -0.178 10.851 18.379 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.373 10.113 17.286 1.00 0.00 H new ATOM 0 HG23 THR A 62 -0.582 11.643 16.837 1.00 0.00 H new ATOM 976 N VAL A 63 -3.777 10.400 15.771 1.00 0.00 N ATOM 977 CA VAL A 63 -4.399 9.167 15.303 1.00 0.00 C ATOM 978 C VAL A 63 -3.353 8.184 14.790 1.00 0.00 C ATOM 979 O VAL A 63 -2.349 8.581 14.197 1.00 0.00 O ATOM 980 CB VAL A 63 -5.421 9.443 14.184 1.00 0.00 C ATOM 981 CG1 VAL A 63 -4.727 9.510 12.832 1.00 0.00 C ATOM 982 CG2 VAL A 63 -6.509 8.380 14.182 1.00 0.00 C ATOM 0 H VAL A 63 -3.217 10.883 15.068 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.916 8.730 16.157 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.889 10.409 14.374 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.465 9.706 12.054 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.988 10.311 12.842 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.230 8.561 12.631 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.222 8.591 13.385 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.060 7.400 14.018 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.025 8.386 15.142 1.00 0.00 H new ATOM 992 N THR A 64 -3.595 6.897 15.020 1.00 0.00 N ATOM 993 CA THR A 64 -2.674 5.856 14.582 1.00 0.00 C ATOM 994 C THR A 64 -3.374 4.848 13.678 1.00 0.00 C ATOM 995 O THR A 64 -4.457 4.359 13.998 1.00 0.00 O ATOM 996 CB THR A 64 -2.056 5.111 15.780 1.00 0.00 C ATOM 997 OG1 THR A 64 -1.932 5.999 16.897 1.00 0.00 O ATOM 998 CG2 THR A 64 -0.690 4.546 15.421 1.00 0.00 C ATOM 0 H THR A 64 -4.422 6.551 15.507 1.00 0.00 H new ATOM 0 HA THR A 64 -1.880 6.352 14.024 1.00 0.00 H new ATOM 0 HB THR A 64 -2.715 4.284 16.044 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.540 5.518 17.655 1.00 0.00 H new ATOM 0 HG21 THR A 64 -0.274 4.025 16.283 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.792 3.849 14.589 1.00 0.00 H new ATOM 0 HG23 THR A 64 -0.024 5.359 15.133 1.00 0.00 H new ATOM 1006 N VAL A 65 -2.747 4.540 12.546 1.00 0.00 N ATOM 1007 CA VAL A 65 -3.310 3.589 11.596 1.00 0.00 C ATOM 1008 C VAL A 65 -2.210 2.859 10.833 1.00 0.00 C ATOM 1009 O VAL A 65 -1.126 3.399 10.618 1.00 0.00 O ATOM 1010 CB VAL A 65 -4.242 4.286 10.587 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -3.506 5.403 9.864 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.805 3.278 9.597 1.00 0.00 C ATOM 0 H VAL A 65 -1.850 4.936 12.266 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.888 2.869 12.175 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.075 4.727 11.133 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.180 5.884 9.155 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.157 6.138 10.589 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.652 4.989 9.328 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.461 3.788 8.892 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -3.987 2.805 9.054 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.371 2.517 10.135 1.00 0.00 H new ATOM 1022 N GLY A 66 -2.498 1.626 10.426 1.00 0.00 N ATOM 1023 CA GLY A 66 -1.523 0.841 9.691 1.00 0.00 C ATOM 1024 C GLY A 66 -1.597 1.078 8.195 1.00 0.00 C ATOM 1025 O GLY A 66 -2.530 1.716 7.705 1.00 0.00 O ATOM 0 H GLY A 66 -3.389 1.157 10.592 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.522 1.086 10.046 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.684 -0.217 9.897 1.00 0.00 H new ATOM 1029 N LEU A 67 -0.611 0.564 7.467 1.00 0.00 N ATOM 1030 CA LEU A 67 -0.567 0.724 6.018 1.00 0.00 C ATOM 1031 C LEU A 67 -1.733 -0.002 5.354 1.00 0.00 C ATOM 1032 O LEU A 67 -2.494 0.593 4.592 1.00 0.00 O ATOM 1033 CB LEU A 67 0.758 0.195 5.467 1.00 0.00 C ATOM 1034 CG LEU A 67 2.018 0.629 6.216 1.00 0.00 C ATOM 1035 CD1 LEU A 67 2.964 -0.548 6.397 1.00 0.00 C ATOM 1036 CD2 LEU A 67 2.712 1.765 5.479 1.00 0.00 C ATOM 0 H LEU A 67 0.168 0.033 7.857 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.649 1.787 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.718 -0.894 5.464 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.849 0.513 4.428 1.00 0.00 H new ATOM 0 HG LEU A 67 1.725 0.988 7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.855 -0.220 6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.465 -1.331 6.968 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.250 -0.938 5.420 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.607 2.061 6.027 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.992 1.433 4.479 1.00 0.00 H new ATOM 0 HD23 LEU A 67 2.035 2.616 5.402 1.00 0.00 H new ATOM 1048 N GLU A 68 -1.868 -1.291 5.652 1.00 0.00 N ATOM 1049 CA GLU A 68 -2.943 -2.097 5.085 1.00 0.00 C ATOM 1050 C GLU A 68 -4.289 -1.395 5.241 1.00 0.00 C ATOM 1051 O GLU A 68 -5.033 -1.236 4.273 1.00 0.00 O ATOM 1052 CB GLU A 68 -2.990 -3.470 5.758 1.00 0.00 C ATOM 1053 CG GLU A 68 -1.696 -4.256 5.627 1.00 0.00 C ATOM 1054 CD GLU A 68 -1.702 -5.195 4.436 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -1.919 -4.714 3.304 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -1.490 -6.409 4.636 1.00 0.00 O ATOM 0 H GLU A 68 -1.247 -1.799 6.282 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.742 -2.229 4.022 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -3.221 -3.339 6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.804 -4.051 5.324 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -0.861 -3.561 5.533 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.531 -4.831 6.538 1.00 0.00 H new ATOM 1063 N ASP A 69 -4.594 -0.979 6.465 1.00 0.00 N ATOM 1064 CA ASP A 69 -5.850 -0.295 6.748 1.00 0.00 C ATOM 1065 C ASP A 69 -6.045 0.893 5.812 1.00 0.00 C ATOM 1066 O ASP A 69 -7.071 1.005 5.140 1.00 0.00 O ATOM 1067 CB ASP A 69 -5.882 0.176 8.203 1.00 0.00 C ATOM 1068 CG ASP A 69 -5.375 -0.880 9.165 1.00 0.00 C ATOM 1069 OD1 ASP A 69 -5.674 -2.073 8.949 1.00 0.00 O ATOM 1070 OD2 ASP A 69 -4.677 -0.514 10.134 1.00 0.00 O ATOM 0 H ASP A 69 -3.989 -1.103 7.277 1.00 0.00 H new ATOM 0 HA ASP A 69 -6.664 -1.001 6.584 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -5.276 1.076 8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.903 0.448 8.471 1.00 0.00 H new ATOM 1075 N MET A 70 -5.055 1.779 5.773 1.00 0.00 N ATOM 1076 CA MET A 70 -5.118 2.959 4.919 1.00 0.00 C ATOM 1077 C MET A 70 -5.165 2.562 3.446 1.00 0.00 C ATOM 1078 O MET A 70 -5.657 3.316 2.605 1.00 0.00 O ATOM 1079 CB MET A 70 -3.913 3.866 5.176 1.00 0.00 C ATOM 1080 CG MET A 70 -4.189 4.973 6.180 1.00 0.00 C ATOM 1081 SD MET A 70 -5.345 6.207 5.553 1.00 0.00 S ATOM 1082 CE MET A 70 -4.832 7.652 6.479 1.00 0.00 C ATOM 0 H MET A 70 -4.200 1.702 6.323 1.00 0.00 H new ATOM 0 HA MET A 70 -6.031 3.503 5.160 1.00 0.00 H new ATOM 0 HB2 MET A 70 -3.082 3.259 5.536 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.597 4.312 4.233 1.00 0.00 H new ATOM 0 HG2 MET A 70 -4.590 4.537 7.095 1.00 0.00 H new ATOM 0 HG3 MET A 70 -3.251 5.461 6.444 1.00 0.00 H new ATOM 0 HE1 MET A 70 -5.455 8.502 6.201 1.00 0.00 H new ATOM 0 HE2 MET A 70 -4.939 7.457 7.546 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.790 7.877 6.254 1.00 0.00 H new ATOM 1092 N LEU A 71 -4.652 1.375 3.141 1.00 0.00 N ATOM 1093 CA LEU A 71 -4.636 0.878 1.770 1.00 0.00 C ATOM 1094 C LEU A 71 -6.053 0.744 1.223 1.00 0.00 C ATOM 1095 O LEU A 71 -6.363 1.249 0.144 1.00 0.00 O ATOM 1096 CB LEU A 71 -3.922 -0.473 1.705 1.00 0.00 C ATOM 1097 CG LEU A 71 -3.322 -0.851 0.350 1.00 0.00 C ATOM 1098 CD1 LEU A 71 -4.420 -1.041 -0.685 1.00 0.00 C ATOM 1099 CD2 LEU A 71 -2.332 0.210 -0.109 1.00 0.00 C ATOM 0 H LEU A 71 -4.242 0.739 3.825 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.096 1.598 1.155 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.123 -0.475 2.447 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.629 -1.250 1.996 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.788 -1.795 0.461 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.975 -1.310 -1.643 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.091 -1.836 -0.361 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.982 -0.113 -0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.915 -0.075 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.843 1.168 -0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.528 0.298 0.622 1.00 0.00 H new ATOM 1111 N ALA A 72 -6.911 0.063 1.975 1.00 0.00 N ATOM 1112 CA ALA A 72 -8.296 -0.134 1.568 1.00 0.00 C ATOM 1113 C ALA A 72 -9.009 1.201 1.383 1.00 0.00 C ATOM 1114 O ALA A 72 -9.931 1.317 0.575 1.00 0.00 O ATOM 1115 CB ALA A 72 -9.031 -0.989 2.589 1.00 0.00 C ATOM 0 H ALA A 72 -6.671 -0.362 2.871 1.00 0.00 H new ATOM 0 HA ALA A 72 -8.296 -0.653 0.609 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.064 -1.127 2.271 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.543 -1.960 2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -9.013 -0.493 3.559 1.00 0.00 H new ATOM 1121 N ILE A 73 -8.576 2.207 2.136 1.00 0.00 N ATOM 1122 CA ILE A 73 -9.173 3.534 2.055 1.00 0.00 C ATOM 1123 C ILE A 73 -8.643 4.302 0.848 1.00 0.00 C ATOM 1124 O ILE A 73 -9.396 4.641 -0.064 1.00 0.00 O ATOM 1125 CB ILE A 73 -8.901 4.353 3.330 1.00 0.00 C ATOM 1126 CG1 ILE A 73 -9.144 3.496 4.574 1.00 0.00 C ATOM 1127 CG2 ILE A 73 -9.777 5.597 3.358 1.00 0.00 C ATOM 1128 CD1 ILE A 73 -8.783 4.193 5.867 1.00 0.00 C ATOM 0 H ILE A 73 -7.814 2.128 2.809 1.00 0.00 H new ATOM 0 HA ILE A 73 -10.248 3.390 1.948 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.857 4.668 3.326 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -10.195 3.207 4.607 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.564 2.577 4.491 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -9.573 6.165 4.265 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -9.560 6.215 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -10.827 5.303 3.342 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.981 3.527 6.707 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.726 4.457 5.855 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -9.382 5.098 5.972 1.00 0.00 H new ATOM 1140 N SER A 74 -7.342 4.571 0.850 1.00 0.00 N ATOM 1141 CA SER A 74 -6.710 5.300 -0.243 1.00 0.00 C ATOM 1142 C SER A 74 -6.960 4.603 -1.577 1.00 0.00 C ATOM 1143 O SER A 74 -7.014 5.245 -2.626 1.00 0.00 O ATOM 1144 CB SER A 74 -5.206 5.430 0.003 1.00 0.00 C ATOM 1145 OG SER A 74 -4.507 4.310 -0.510 1.00 0.00 O ATOM 0 H SER A 74 -6.704 4.295 1.597 1.00 0.00 H new ATOM 0 HA SER A 74 -7.151 6.296 -0.284 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.835 6.341 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 74 -5.016 5.523 1.072 1.00 0.00 H new ATOM 0 HG SER A 74 -3.674 4.609 -0.931 1.00 0.00 H new ATOM 1151 N GLY A 75 -7.113 3.283 -1.528 1.00 0.00 N ATOM 1152 CA GLY A 75 -7.355 2.519 -2.738 1.00 0.00 C ATOM 1153 C GLY A 75 -8.780 2.658 -3.236 1.00 0.00 C ATOM 1154 O GLY A 75 -9.146 2.084 -4.262 1.00 0.00 O ATOM 0 H GLY A 75 -7.074 2.729 -0.672 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -6.667 2.850 -3.516 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -7.140 1.467 -2.549 1.00 0.00 H new ATOM 1158 N LYS A 76 -9.587 3.421 -2.508 1.00 0.00 N ATOM 1159 CA LYS A 76 -10.981 3.634 -2.880 1.00 0.00 C ATOM 1160 C LYS A 76 -11.769 2.330 -2.809 1.00 0.00 C ATOM 1161 O LYS A 76 -12.374 1.903 -3.793 1.00 0.00 O ATOM 1162 CB LYS A 76 -11.070 4.219 -4.292 1.00 0.00 C ATOM 1163 CG LYS A 76 -12.269 5.128 -4.500 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.763 5.079 -5.936 1.00 0.00 C ATOM 1165 CE LYS A 76 -13.082 6.470 -6.462 1.00 0.00 C ATOM 1166 NZ LYS A 76 -14.147 6.438 -7.503 1.00 0.00 N ATOM 0 H LYS A 76 -9.300 3.903 -1.656 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.416 4.340 -2.172 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.159 4.780 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.115 3.402 -5.012 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.073 4.831 -3.827 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.000 6.152 -4.242 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.005 4.615 -6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.654 4.453 -5.995 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.400 7.107 -5.636 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.179 6.916 -6.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -14.336 7.405 -7.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -13.834 5.851 -8.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -15.016 6.035 -7.098 1.00 0.00 H new ATOM 1180 N THR A 77 -11.759 1.701 -1.637 1.00 0.00 N ATOM 1181 CA THR A 77 -12.472 0.447 -1.438 1.00 0.00 C ATOM 1182 C THR A 77 -13.275 0.471 -0.142 1.00 0.00 C ATOM 1183 O THR A 77 -14.498 0.325 -0.154 1.00 0.00 O ATOM 1184 CB THR A 77 -11.504 -0.751 -1.406 1.00 0.00 C ATOM 1185 OG1 THR A 77 -10.701 -0.763 -2.592 1.00 0.00 O ATOM 1186 CG2 THR A 77 -12.269 -2.062 -1.292 1.00 0.00 C ATOM 0 H THR A 77 -11.265 2.041 -0.812 1.00 0.00 H new ATOM 0 HA THR A 77 -13.152 0.333 -2.282 1.00 0.00 H new ATOM 0 HB THR A 77 -10.860 -0.647 -0.533 1.00 0.00 H new ATOM 0 HG1 THR A 77 -10.087 -1.526 -2.564 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.565 -2.894 -1.271 1.00 0.00 H new ATOM 0 HG22 THR A 77 -12.857 -2.061 -0.374 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.934 -2.171 -2.149 1.00 0.00 H new ATOM 1194 N LEU A 78 -12.581 0.657 0.975 1.00 0.00 N ATOM 1195 CA LEU A 78 -13.229 0.701 2.281 1.00 0.00 C ATOM 1196 C LEU A 78 -13.656 2.123 2.629 1.00 0.00 C ATOM 1197 O LEU A 78 -13.279 3.080 1.952 1.00 0.00 O ATOM 1198 CB LEU A 78 -12.288 0.160 3.359 1.00 0.00 C ATOM 1199 CG LEU A 78 -12.605 -1.240 3.886 1.00 0.00 C ATOM 1200 CD1 LEU A 78 -11.448 -1.772 4.717 1.00 0.00 C ATOM 1201 CD2 LEU A 78 -13.888 -1.223 4.704 1.00 0.00 C ATOM 0 H LEU A 78 -11.569 0.780 1.003 1.00 0.00 H new ATOM 0 HA LEU A 78 -14.120 0.074 2.238 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.274 0.155 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.295 0.853 4.200 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.749 -1.905 3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.692 -2.769 5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.550 -1.821 4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -11.272 -1.108 5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.099 -2.227 5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.772 -0.545 5.549 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.714 -0.885 4.078 1.00 0.00 H new ATOM 1213 N THR A 79 -14.443 2.256 3.693 1.00 0.00 N ATOM 1214 CA THR A 79 -14.920 3.562 4.132 1.00 0.00 C ATOM 1215 C THR A 79 -14.423 3.884 5.536 1.00 0.00 C ATOM 1216 O THR A 79 -14.219 2.988 6.355 1.00 0.00 O ATOM 1217 CB THR A 79 -16.458 3.632 4.115 1.00 0.00 C ATOM 1218 OG1 THR A 79 -17.001 2.722 5.078 1.00 0.00 O ATOM 1219 CG2 THR A 79 -17.000 3.299 2.733 1.00 0.00 C ATOM 0 H THR A 79 -14.763 1.475 4.266 1.00 0.00 H new ATOM 0 HA THR A 79 -14.523 4.297 3.432 1.00 0.00 H new ATOM 0 HB THR A 79 -16.756 4.649 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 79 -17.979 2.774 5.062 1.00 0.00 H new ATOM 0 HG21 THR A 79 -18.088 3.355 2.746 1.00 0.00 H new ATOM 0 HG22 THR A 79 -16.609 4.012 2.007 1.00 0.00 H new ATOM 0 HG23 THR A 79 -16.692 2.291 2.454 1.00 0.00 H new ATOM 1227 N VAL A 80 -14.231 5.171 5.810 1.00 0.00 N ATOM 1228 CA VAL A 80 -13.759 5.612 7.117 1.00 0.00 C ATOM 1229 C VAL A 80 -14.578 4.982 8.238 1.00 0.00 C ATOM 1230 O VAL A 80 -14.032 4.545 9.251 1.00 0.00 O ATOM 1231 CB VAL A 80 -13.824 7.145 7.249 1.00 0.00 C ATOM 1232 CG1 VAL A 80 -13.516 7.572 8.676 1.00 0.00 C ATOM 1233 CG2 VAL A 80 -12.867 7.805 6.268 1.00 0.00 C ATOM 0 H VAL A 80 -14.395 5.926 5.144 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.721 5.291 7.204 1.00 0.00 H new ATOM 0 HB VAL A 80 -14.836 7.470 7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -13.567 8.658 8.750 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -14.245 7.128 9.354 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -12.515 7.236 8.948 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -12.926 8.888 6.375 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -11.849 7.475 6.475 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -13.139 7.526 5.250 1.00 0.00 H new ATOM 1243 N GLY A 81 -15.894 4.937 8.050 1.00 0.00 N ATOM 1244 CA GLY A 81 -16.767 4.358 9.054 1.00 0.00 C ATOM 1245 C GLY A 81 -16.455 2.899 9.322 1.00 0.00 C ATOM 1246 O GLY A 81 -16.508 2.446 10.465 1.00 0.00 O ATOM 0 H GLY A 81 -16.370 5.291 7.221 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.673 4.923 9.982 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.803 4.451 8.727 1.00 0.00 H new ATOM 1250 N ASP A 82 -16.132 2.161 8.265 1.00 0.00 N ATOM 1251 CA ASP A 82 -15.811 0.744 8.392 1.00 0.00 C ATOM 1252 C ASP A 82 -14.564 0.544 9.248 1.00 0.00 C ATOM 1253 O ASP A 82 -14.581 -0.215 10.217 1.00 0.00 O ATOM 1254 CB ASP A 82 -15.601 0.122 7.010 1.00 0.00 C ATOM 1255 CG ASP A 82 -16.663 -0.905 6.670 1.00 0.00 C ATOM 1256 OD1 ASP A 82 -17.788 -0.498 6.310 1.00 0.00 O ATOM 1257 OD2 ASP A 82 -16.370 -2.115 6.763 1.00 0.00 O ATOM 0 H ASP A 82 -16.086 2.520 7.312 1.00 0.00 H new ATOM 0 HA ASP A 82 -16.649 0.249 8.882 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.606 0.909 6.256 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -14.619 -0.349 6.972 1.00 0.00 H new ATOM 1262 N ALA A 83 -13.485 1.228 8.884 1.00 0.00 N ATOM 1263 CA ALA A 83 -12.231 1.126 9.619 1.00 0.00 C ATOM 1264 C ALA A 83 -12.420 1.510 11.083 1.00 0.00 C ATOM 1265 O ALA A 83 -11.769 0.957 11.970 1.00 0.00 O ATOM 1266 CB ALA A 83 -11.168 2.002 8.974 1.00 0.00 C ATOM 0 H ALA A 83 -13.454 1.859 8.084 1.00 0.00 H new ATOM 0 HA ALA A 83 -11.901 0.088 9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -10.237 1.916 9.534 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -11.005 1.679 7.946 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -11.500 3.040 8.979 1.00 0.00 H new ATOM 1272 N LEU A 84 -13.314 2.462 11.329 1.00 0.00 N ATOM 1273 CA LEU A 84 -13.588 2.921 12.686 1.00 0.00 C ATOM 1274 C LEU A 84 -14.288 1.836 13.498 1.00 0.00 C ATOM 1275 O LEU A 84 -13.923 1.569 14.643 1.00 0.00 O ATOM 1276 CB LEU A 84 -14.450 4.185 12.653 1.00 0.00 C ATOM 1277 CG LEU A 84 -14.192 5.202 13.766 1.00 0.00 C ATOM 1278 CD1 LEU A 84 -12.767 5.728 13.688 1.00 0.00 C ATOM 1279 CD2 LEU A 84 -15.191 6.347 13.684 1.00 0.00 C ATOM 0 H LEU A 84 -13.861 2.931 10.607 1.00 0.00 H new ATOM 0 HA LEU A 84 -12.636 3.149 13.165 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -14.298 4.680 11.694 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -15.498 3.888 12.696 1.00 0.00 H new ATOM 0 HG LEU A 84 -14.321 4.702 14.726 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -12.602 6.450 14.487 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -12.067 4.900 13.797 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -12.610 6.212 12.724 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -14.993 7.061 14.483 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -15.094 6.846 12.720 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -16.203 5.955 13.790 1.00 0.00 H new ATOM 1291 N LYS A 85 -15.294 1.210 12.896 1.00 0.00 N ATOM 1292 CA LYS A 85 -16.043 0.150 13.560 1.00 0.00 C ATOM 1293 C LYS A 85 -15.136 -1.030 13.895 1.00 0.00 C ATOM 1294 O LYS A 85 -15.277 -1.652 14.947 1.00 0.00 O ATOM 1295 CB LYS A 85 -17.199 -0.318 12.673 1.00 0.00 C ATOM 1296 CG LYS A 85 -17.874 -1.584 13.171 1.00 0.00 C ATOM 1297 CD LYS A 85 -19.064 -1.960 12.304 1.00 0.00 C ATOM 1298 CE LYS A 85 -18.639 -2.798 11.108 1.00 0.00 C ATOM 1299 NZ LYS A 85 -19.394 -4.079 11.032 1.00 0.00 N ATOM 0 H LYS A 85 -15.609 1.419 11.949 1.00 0.00 H new ATOM 0 HA LYS A 85 -16.445 0.552 14.490 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -17.941 0.478 12.608 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -16.825 -0.489 11.663 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -17.154 -2.403 13.177 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -18.203 -1.441 14.200 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -19.789 -2.515 12.900 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -19.563 -1.055 11.957 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -18.796 -2.229 10.192 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -17.572 -3.009 11.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -19.075 -4.621 10.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -19.224 -4.634 11.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -20.411 -3.878 10.944 1.00 0.00 H new ATOM 1313 N GLN A 86 -14.206 -1.330 12.994 1.00 0.00 N ATOM 1314 CA GLN A 86 -13.276 -2.434 13.196 1.00 0.00 C ATOM 1315 C GLN A 86 -12.278 -2.111 14.303 1.00 0.00 C ATOM 1316 O GLN A 86 -11.962 -2.960 15.136 1.00 0.00 O ATOM 1317 CB GLN A 86 -12.531 -2.746 11.897 1.00 0.00 C ATOM 1318 CG GLN A 86 -13.438 -3.226 10.776 1.00 0.00 C ATOM 1319 CD GLN A 86 -12.665 -3.693 9.559 1.00 0.00 C ATOM 1320 OE1 GLN A 86 -11.477 -4.005 9.646 1.00 0.00 O ATOM 1321 NE2 GLN A 86 -13.336 -3.745 8.414 1.00 0.00 N ATOM 0 H GLN A 86 -14.077 -0.824 12.118 1.00 0.00 H new ATOM 0 HA GLN A 86 -13.852 -3.310 13.496 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -12.002 -1.852 11.567 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -11.777 -3.508 12.094 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -14.060 -4.043 11.142 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -14.110 -2.418 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -14.320 -3.477 8.387 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -12.867 -4.053 7.562 1.00 0.00 H new ATOM 1330 N GLY A 87 -11.784 -0.876 14.306 1.00 0.00 N ATOM 1331 CA GLY A 87 -10.827 -0.462 15.315 1.00 0.00 C ATOM 1332 C GLY A 87 -9.407 -0.423 14.785 1.00 0.00 C ATOM 1333 O GLY A 87 -8.449 -0.585 15.542 1.00 0.00 O ATOM 0 H GLY A 87 -12.030 -0.155 13.627 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.100 0.525 15.687 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -10.877 -1.147 16.162 1.00 0.00 H new ATOM 1337 N LYS A 88 -9.270 -0.209 13.481 1.00 0.00 N ATOM 1338 CA LYS A 88 -7.957 -0.150 12.849 1.00 0.00 C ATOM 1339 C LYS A 88 -7.277 1.186 13.132 1.00 0.00 C ATOM 1340 O LYS A 88 -6.054 1.256 13.257 1.00 0.00 O ATOM 1341 CB LYS A 88 -8.085 -0.360 11.339 1.00 0.00 C ATOM 1342 CG LYS A 88 -9.003 -1.509 10.960 1.00 0.00 C ATOM 1343 CD LYS A 88 -8.596 -2.799 11.651 1.00 0.00 C ATOM 1344 CE LYS A 88 -8.621 -3.978 10.691 1.00 0.00 C ATOM 1345 NZ LYS A 88 -7.254 -4.508 10.427 1.00 0.00 N ATOM 0 H LYS A 88 -10.052 -0.073 12.841 1.00 0.00 H new ATOM 0 HA LYS A 88 -7.343 -0.946 13.269 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -8.458 0.557 10.883 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -7.095 -0.544 10.921 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -10.030 -1.260 11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -8.982 -1.652 9.880 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -7.595 -2.689 12.068 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.269 -2.994 12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -9.244 -4.771 11.106 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -9.079 -3.671 9.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -7.318 -5.342 9.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -6.681 -3.775 9.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -6.807 -4.778 11.326 1.00 0.00 H new ATOM 1359 N ILE A 89 -8.077 2.242 13.232 1.00 0.00 N ATOM 1360 CA ILE A 89 -7.552 3.575 13.502 1.00 0.00 C ATOM 1361 C ILE A 89 -7.708 3.939 14.975 1.00 0.00 C ATOM 1362 O ILE A 89 -8.824 4.064 15.478 1.00 0.00 O ATOM 1363 CB ILE A 89 -8.256 4.642 12.644 1.00 0.00 C ATOM 1364 CG1 ILE A 89 -8.653 4.056 11.287 1.00 0.00 C ATOM 1365 CG2 ILE A 89 -7.354 5.854 12.460 1.00 0.00 C ATOM 1366 CD1 ILE A 89 -9.296 5.063 10.359 1.00 0.00 C ATOM 0 H ILE A 89 -9.091 2.201 13.130 1.00 0.00 H new ATOM 0 HA ILE A 89 -6.493 3.555 13.245 1.00 0.00 H new ATOM 0 HB ILE A 89 -9.161 4.962 13.160 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -7.767 3.644 10.805 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -9.344 3.228 11.446 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -7.866 6.599 11.851 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.116 6.282 13.434 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -6.433 5.550 11.963 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.551 4.578 9.417 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -10.201 5.457 10.821 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -8.600 5.880 10.170 1.00 0.00 H new ATOM 1378 N GLU A 90 -6.581 4.109 15.659 1.00 0.00 N ATOM 1379 CA GLU A 90 -6.594 4.460 17.075 1.00 0.00 C ATOM 1380 C GLU A 90 -6.549 5.974 17.260 1.00 0.00 C ATOM 1381 O GLU A 90 -5.961 6.693 16.450 1.00 0.00 O ATOM 1382 CB GLU A 90 -5.409 3.811 17.794 1.00 0.00 C ATOM 1383 CG GLU A 90 -5.535 3.827 19.309 1.00 0.00 C ATOM 1384 CD GLU A 90 -6.543 2.816 19.821 1.00 0.00 C ATOM 1385 OE1 GLU A 90 -6.432 1.629 19.450 1.00 0.00 O ATOM 1386 OE2 GLU A 90 -7.442 3.212 20.591 1.00 0.00 O ATOM 0 H GLU A 90 -5.649 4.010 15.257 1.00 0.00 H new ATOM 0 HA GLU A 90 -7.522 4.086 17.508 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -5.311 2.779 17.457 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.493 4.329 17.508 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -4.561 3.621 19.753 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -5.829 4.825 19.635 1.00 0.00 H new ATOM 1393 N LEU A 91 -7.173 6.452 18.330 1.00 0.00 N ATOM 1394 CA LEU A 91 -7.206 7.880 18.623 1.00 0.00 C ATOM 1395 C LEU A 91 -6.390 8.199 19.872 1.00 0.00 C ATOM 1396 O LEU A 91 -5.944 7.297 20.581 1.00 0.00 O ATOM 1397 CB LEU A 91 -8.649 8.350 18.810 1.00 0.00 C ATOM 1398 CG LEU A 91 -9.313 8.981 17.585 1.00 0.00 C ATOM 1399 CD1 LEU A 91 -10.800 9.186 17.830 1.00 0.00 C ATOM 1400 CD2 LEU A 91 -8.642 10.300 17.234 1.00 0.00 C ATOM 0 H LEU A 91 -7.664 5.871 19.010 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.765 8.409 17.778 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -9.250 7.497 19.125 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -8.672 9.074 19.624 1.00 0.00 H new ATOM 0 HG LEU A 91 -9.195 8.301 16.741 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -11.255 9.636 16.948 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -11.272 8.224 18.031 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -10.940 9.845 18.687 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -9.128 10.734 16.360 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -8.728 10.987 18.076 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -7.589 10.125 17.014 1.00 0.00 H new ATOM 1412 N SER A 92 -6.200 9.488 20.136 1.00 0.00 N ATOM 1413 CA SER A 92 -5.437 9.926 21.299 1.00 0.00 C ATOM 1414 C SER A 92 -5.526 11.439 21.469 1.00 0.00 C ATOM 1415 O SER A 92 -5.372 12.193 20.509 1.00 0.00 O ATOM 1416 CB SER A 92 -3.973 9.502 21.164 1.00 0.00 C ATOM 1417 OG SER A 92 -3.207 9.957 22.265 1.00 0.00 O ATOM 0 H SER A 92 -6.564 10.247 19.560 1.00 0.00 H new ATOM 0 HA SER A 92 -5.865 9.453 22.183 1.00 0.00 H new ATOM 0 HB2 SER A 92 -3.910 8.416 21.097 1.00 0.00 H new ATOM 0 HB3 SER A 92 -3.559 9.902 20.239 1.00 0.00 H new ATOM 0 HG SER A 92 -2.276 9.672 22.156 1.00 0.00 H new ATOM 1423 N GLY A 93 -5.777 11.877 22.699 1.00 0.00 N ATOM 1424 CA GLY A 93 -5.883 13.298 22.974 1.00 0.00 C ATOM 1425 C GLY A 93 -7.316 13.789 22.941 1.00 0.00 C ATOM 1426 O GLY A 93 -8.147 13.355 23.738 1.00 0.00 O ATOM 0 H GLY A 93 -5.909 11.273 23.510 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.452 13.509 23.953 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.295 13.852 22.242 1.00 0.00 H new ATOM 1430 N ASP A 94 -7.606 14.699 22.017 1.00 0.00 N ATOM 1431 CA ASP A 94 -8.949 15.251 21.883 1.00 0.00 C ATOM 1432 C ASP A 94 -9.784 14.421 20.912 1.00 0.00 C ATOM 1433 O ASP A 94 -10.138 14.886 19.829 1.00 0.00 O ATOM 1434 CB ASP A 94 -8.882 16.702 21.406 1.00 0.00 C ATOM 1435 CG ASP A 94 -8.891 17.691 22.555 1.00 0.00 C ATOM 1436 OD1 ASP A 94 -7.899 17.728 23.314 1.00 0.00 O ATOM 1437 OD2 ASP A 94 -9.889 18.428 22.696 1.00 0.00 O ATOM 0 H ASP A 94 -6.929 15.070 21.350 1.00 0.00 H new ATOM 0 HA ASP A 94 -9.427 15.221 22.862 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -7.978 16.845 20.814 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -9.728 16.905 20.749 1.00 0.00 H new ATOM 1442 N ALA A 95 -10.093 13.191 21.307 1.00 0.00 N ATOM 1443 CA ALA A 95 -10.886 12.297 20.472 1.00 0.00 C ATOM 1444 C ALA A 95 -12.094 13.020 19.887 1.00 0.00 C ATOM 1445 O ALA A 95 -12.481 12.778 18.744 1.00 0.00 O ATOM 1446 CB ALA A 95 -11.332 11.083 21.274 1.00 0.00 C ATOM 0 H ALA A 95 -9.806 12.790 22.200 1.00 0.00 H new ATOM 0 HA ALA A 95 -10.260 11.962 19.645 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -11.923 10.424 20.638 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -10.456 10.546 21.638 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -11.936 11.408 22.121 1.00 0.00 H new ATOM 1452 N ASP A 96 -12.687 13.908 20.678 1.00 0.00 N ATOM 1453 CA ASP A 96 -13.851 14.667 20.238 1.00 0.00 C ATOM 1454 C ASP A 96 -13.586 15.338 18.894 1.00 0.00 C ATOM 1455 O ASP A 96 -14.401 15.254 17.974 1.00 0.00 O ATOM 1456 CB ASP A 96 -14.226 15.719 21.283 1.00 0.00 C ATOM 1457 CG ASP A 96 -15.692 15.662 21.662 1.00 0.00 C ATOM 1458 OD1 ASP A 96 -16.528 15.410 20.768 1.00 0.00 O ATOM 1459 OD2 ASP A 96 -16.005 15.868 22.853 1.00 0.00 O ATOM 0 H ASP A 96 -12.380 14.120 21.627 1.00 0.00 H new ATOM 0 HA ASP A 96 -14.683 13.973 20.119 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -13.617 15.573 22.175 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -13.992 16.711 20.896 1.00 0.00 H new ATOM 1464 N LEU A 97 -12.443 16.006 18.787 1.00 0.00 N ATOM 1465 CA LEU A 97 -12.070 16.693 17.556 1.00 0.00 C ATOM 1466 C LEU A 97 -12.101 15.737 16.368 1.00 0.00 C ATOM 1467 O LEU A 97 -12.839 15.949 15.406 1.00 0.00 O ATOM 1468 CB LEU A 97 -10.676 17.309 17.694 1.00 0.00 C ATOM 1469 CG LEU A 97 -10.624 18.833 17.806 1.00 0.00 C ATOM 1470 CD1 LEU A 97 -10.103 19.250 19.173 1.00 0.00 C ATOM 1471 CD2 LEU A 97 -9.757 19.419 16.701 1.00 0.00 C ATOM 0 H LEU A 97 -11.758 16.086 19.539 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.795 17.487 17.378 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -10.198 16.883 18.576 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.080 17.007 16.832 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.636 19.222 17.692 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -10.073 20.338 19.235 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -10.763 18.861 19.948 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.099 18.850 19.317 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -9.731 20.505 16.796 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -8.745 19.023 16.784 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.173 19.149 15.730 1.00 0.00 H new ATOM 1483 N ALA A 98 -11.295 14.682 16.442 1.00 0.00 N ATOM 1484 CA ALA A 98 -11.233 13.691 15.375 1.00 0.00 C ATOM 1485 C ALA A 98 -12.598 13.055 15.138 1.00 0.00 C ATOM 1486 O ALA A 98 -12.910 12.629 14.026 1.00 0.00 O ATOM 1487 CB ALA A 98 -10.201 12.624 15.706 1.00 0.00 C ATOM 0 H ALA A 98 -10.676 14.492 17.230 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.933 14.198 14.458 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -10.165 11.890 14.901 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -9.221 13.088 15.818 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -10.476 12.128 16.637 1.00 0.00 H new ATOM 1493 N ALA A 99 -13.408 12.992 16.189 1.00 0.00 N ATOM 1494 CA ALA A 99 -14.740 12.408 16.094 1.00 0.00 C ATOM 1495 C ALA A 99 -15.580 13.125 15.042 1.00 0.00 C ATOM 1496 O ALA A 99 -16.328 12.495 14.295 1.00 0.00 O ATOM 1497 CB ALA A 99 -15.434 12.454 17.447 1.00 0.00 C ATOM 0 H ALA A 99 -13.165 13.339 17.117 1.00 0.00 H new ATOM 0 HA ALA A 99 -14.633 11.367 15.788 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -16.428 12.015 17.361 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -14.850 11.891 18.175 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -15.522 13.490 17.776 1.00 0.00 H new ATOM 1503 N LYS A 100 -15.452 14.447 14.990 1.00 0.00 N ATOM 1504 CA LYS A 100 -16.198 15.251 14.029 1.00 0.00 C ATOM 1505 C LYS A 100 -15.803 14.895 12.599 1.00 0.00 C ATOM 1506 O LYS A 100 -16.623 14.966 11.682 1.00 0.00 O ATOM 1507 CB LYS A 100 -15.955 16.740 14.282 1.00 0.00 C ATOM 1508 CG LYS A 100 -16.202 17.162 15.720 1.00 0.00 C ATOM 1509 CD LYS A 100 -17.439 16.490 16.292 1.00 0.00 C ATOM 1510 CE LYS A 100 -18.156 17.394 17.284 1.00 0.00 C ATOM 1511 NZ LYS A 100 -17.250 17.850 18.374 1.00 0.00 N ATOM 0 H LYS A 100 -14.838 14.984 15.602 1.00 0.00 H new ATOM 0 HA LYS A 100 -17.259 15.036 14.158 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -14.927 16.982 14.013 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -16.602 17.322 13.625 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -15.334 16.909 16.329 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -16.320 18.245 15.768 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -18.119 16.226 15.482 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -17.154 15.560 16.785 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -18.559 18.261 16.760 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -19.003 16.860 17.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -17.810 18.305 19.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -16.743 17.032 18.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -16.564 18.532 17.993 1.00 0.00 H new ATOM 1525 N LEU A 101 -14.545 14.512 12.416 1.00 0.00 N ATOM 1526 CA LEU A 101 -14.042 14.144 11.097 1.00 0.00 C ATOM 1527 C LEU A 101 -14.465 12.725 10.730 1.00 0.00 C ATOM 1528 O LEU A 101 -14.936 12.475 9.621 1.00 0.00 O ATOM 1529 CB LEU A 101 -12.517 14.259 11.060 1.00 0.00 C ATOM 1530 CG LEU A 101 -11.902 14.599 9.702 1.00 0.00 C ATOM 1531 CD1 LEU A 101 -12.605 13.834 8.592 1.00 0.00 C ATOM 1532 CD2 LEU A 101 -11.969 16.097 9.446 1.00 0.00 C ATOM 0 H LEU A 101 -13.854 14.448 13.164 1.00 0.00 H new ATOM 0 HA LEU A 101 -14.470 14.832 10.367 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -12.213 15.023 11.776 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -12.093 13.315 11.402 1.00 0.00 H new ATOM 0 HG LEU A 101 -10.854 14.300 9.714 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -12.154 14.088 7.633 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -12.504 12.763 8.768 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -13.662 14.101 8.579 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -11.527 16.320 8.475 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -13.010 16.421 9.454 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -11.419 16.624 10.225 1.00 0.00 H new ATOM 1544 N ALA A 102 -14.294 11.800 11.669 1.00 0.00 N ATOM 1545 CA ALA A 102 -14.662 10.407 11.445 1.00 0.00 C ATOM 1546 C ALA A 102 -16.174 10.252 11.324 1.00 0.00 C ATOM 1547 O ALA A 102 -16.661 9.385 10.599 1.00 0.00 O ATOM 1548 CB ALA A 102 -14.128 9.534 12.571 1.00 0.00 C ATOM 0 H ALA A 102 -13.903 11.990 12.592 1.00 0.00 H new ATOM 0 HA ALA A 102 -14.214 10.084 10.505 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -14.410 8.496 12.392 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -13.042 9.614 12.609 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -14.550 9.866 13.520 1.00 0.00 H new