USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 582 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 44 SER OG : rot 32:sc= 0.444 USER MOD Single : A 45 LYS NZ :NH3+ -173:sc= -0.296 (180deg=-0.415) USER MOD Single : A 46 SER OG : rot -27:sc= 0.16 USER MOD Single : A 47 TYR OH : rot 71:sc= 0.351 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 167:sc= -0.0112 (180deg=-0.152) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 159:sc= -2.02! USER MOD Single : A 65 SER OG : rot 180:sc= -0.311 USER MOD Single : A 70 LYS NZ :NH3+ -146:sc= 1.19 (180deg=-0.612) USER MOD Single : A 71 LYS NZ :NH3+ 128:sc= -0.0798 (180deg=-0.509) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 1.06 K(o=1.1,f=-0.0031) USER MOD Single : A 77 TYR OH : rot -8:sc= 1.25 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0.0719 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 2.09 K(o=2.1,f=-5.4!) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 95 LYS NZ :NH3+ 143:sc= -1.67! (180deg=-3.53!) USER MOD Single : A 96 LYS NZ :NH3+ -173:sc= 1.25 (180deg=1.14) USER MOD Single : A 105 GLN : amide:sc= 0.342 K(o=0.34,f=-0.31) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 LYS NZ :NH3+ -157:sc= 1.33 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 44 13.862 -4.889 6.899 1.00 0.00 N ATOM 77 CA SER A 44 13.112 -5.420 8.031 1.00 0.00 C ATOM 78 C SER A 44 12.015 -4.450 8.469 1.00 0.00 C ATOM 79 O SER A 44 11.700 -4.338 9.652 1.00 0.00 O ATOM 80 CB SER A 44 14.073 -5.690 9.190 1.00 0.00 C ATOM 81 OG SER A 44 15.297 -6.229 8.716 1.00 0.00 O ATOM 0 HA SER A 44 12.631 -6.350 7.728 1.00 0.00 H new ATOM 0 HB2 SER A 44 14.264 -4.764 9.733 1.00 0.00 H new ATOM 0 HB3 SER A 44 13.614 -6.383 9.895 1.00 0.00 H new ATOM 0 HG SER A 44 15.492 -5.866 7.827 1.00 0.00 H new ATOM 87 N LYS A 45 11.377 -3.823 7.494 1.00 0.00 N ATOM 88 CA LYS A 45 10.236 -2.968 7.753 1.00 0.00 C ATOM 89 C LYS A 45 8.974 -3.812 7.651 1.00 0.00 C ATOM 90 O LYS A 45 8.956 -4.800 6.919 1.00 0.00 O ATOM 91 CB LYS A 45 10.191 -1.813 6.747 1.00 0.00 C ATOM 92 CG LYS A 45 11.535 -1.125 6.533 1.00 0.00 C ATOM 93 CD LYS A 45 11.963 -0.322 7.747 1.00 0.00 C ATOM 94 CE LYS A 45 13.310 0.358 7.535 1.00 0.00 C ATOM 95 NZ LYS A 45 14.449 -0.508 7.948 1.00 0.00 N ATOM 0 H LYS A 45 11.635 -3.893 6.510 1.00 0.00 H new ATOM 0 HA LYS A 45 10.315 -2.536 8.751 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.832 -2.192 5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.467 -1.074 7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.294 -1.874 6.308 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.471 -0.466 5.667 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.207 0.432 7.968 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.021 -0.979 8.615 1.00 0.00 H new ATOM 0 HE2 LYS A 45 13.420 0.623 6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.339 1.288 8.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.334 0.036 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.299 -0.837 8.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 14.510 -1.328 7.311 1.00 0.00 H new ATOM 109 N SER A 46 7.967 -3.488 8.443 1.00 0.00 N ATOM 110 CA SER A 46 6.746 -4.290 8.493 1.00 0.00 C ATOM 111 C SER A 46 5.937 -4.151 7.208 1.00 0.00 C ATOM 112 O SER A 46 5.002 -4.917 6.964 1.00 0.00 O ATOM 113 CB SER A 46 5.900 -3.880 9.702 1.00 0.00 C ATOM 114 OG SER A 46 4.826 -4.780 9.916 1.00 0.00 O ATOM 0 H SER A 46 7.966 -2.677 9.062 1.00 0.00 H new ATOM 0 HA SER A 46 7.032 -5.337 8.594 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.529 -3.845 10.592 1.00 0.00 H new ATOM 0 HB3 SER A 46 5.508 -2.875 9.549 1.00 0.00 H new ATOM 0 HG SER A 46 4.578 -5.201 9.067 1.00 0.00 H new ATOM 120 N TYR A 47 6.254 -3.109 6.453 1.00 0.00 N ATOM 121 CA TYR A 47 5.530 -2.733 5.227 1.00 0.00 C ATOM 122 C TYR A 47 4.155 -2.165 5.552 1.00 0.00 C ATOM 123 O TYR A 47 3.782 -1.120 5.033 1.00 0.00 O ATOM 124 CB TYR A 47 5.386 -3.900 4.238 1.00 0.00 C ATOM 125 CG TYR A 47 6.635 -4.192 3.435 1.00 0.00 C ATOM 126 CD1 TYR A 47 7.780 -4.698 4.036 1.00 0.00 C ATOM 127 CD2 TYR A 47 6.664 -3.947 2.068 1.00 0.00 C ATOM 128 CE1 TYR A 47 8.919 -4.953 3.296 1.00 0.00 C ATOM 129 CE2 TYR A 47 7.797 -4.201 1.323 1.00 0.00 C ATOM 130 CZ TYR A 47 8.923 -4.703 1.939 1.00 0.00 C ATOM 131 OH TYR A 47 10.057 -4.955 1.196 1.00 0.00 O ATOM 0 H TYR A 47 7.032 -2.486 6.670 1.00 0.00 H new ATOM 0 HA TYR A 47 6.135 -1.965 4.745 1.00 0.00 H new ATOM 0 HB2 TYR A 47 5.105 -4.797 4.790 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.569 -3.680 3.551 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.780 -4.895 5.098 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.785 -3.551 1.580 1.00 0.00 H new ATOM 0 HE1 TYR A 47 9.802 -5.346 3.778 1.00 0.00 H new ATOM 0 HE2 TYR A 47 7.802 -4.007 0.261 1.00 0.00 H new ATOM 0 HH TYR A 47 10.188 -5.923 1.117 1.00 0.00 H new ATOM 141 N ARG A 48 3.447 -2.819 6.466 1.00 0.00 N ATOM 142 CA ARG A 48 2.145 -2.359 6.930 1.00 0.00 C ATOM 143 C ARG A 48 2.232 -0.924 7.432 1.00 0.00 C ATOM 144 O ARG A 48 1.445 -0.067 7.040 1.00 0.00 O ATOM 145 CB ARG A 48 1.635 -3.297 8.033 1.00 0.00 C ATOM 146 CG ARG A 48 0.736 -2.629 9.059 1.00 0.00 C ATOM 147 CD ARG A 48 -0.202 -3.625 9.720 1.00 0.00 C ATOM 148 NE ARG A 48 -1.163 -4.172 8.762 1.00 0.00 N ATOM 149 CZ ARG A 48 -0.982 -5.288 8.054 1.00 0.00 C ATOM 150 NH1 ARG A 48 0.026 -6.114 8.329 1.00 0.00 N ATOM 151 NH2 ARG A 48 -1.838 -5.586 7.091 1.00 0.00 N ATOM 0 H ARG A 48 3.761 -3.684 6.906 1.00 0.00 H new ATOM 0 HA ARG A 48 1.440 -2.377 6.099 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.089 -4.119 7.570 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.492 -3.733 8.547 1.00 0.00 H new ATOM 0 HG2 ARG A 48 1.349 -2.146 9.820 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.152 -1.845 8.576 1.00 0.00 H new ATOM 0 HD2 ARG A 48 0.378 -4.437 10.159 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -0.736 -3.138 10.535 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.036 -3.662 8.625 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.671 -5.896 9.089 1.00 0.00 H new ATOM 0 HH12 ARG A 48 0.153 -6.964 7.780 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.624 -4.966 6.898 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -1.712 -6.436 6.542 1.00 0.00 H new ATOM 165 N GLU A 49 3.261 -0.662 8.222 1.00 0.00 N ATOM 166 CA GLU A 49 3.533 0.670 8.733 1.00 0.00 C ATOM 167 C GLU A 49 3.757 1.663 7.592 1.00 0.00 C ATOM 168 O GLU A 49 3.182 2.749 7.583 1.00 0.00 O ATOM 169 CB GLU A 49 4.757 0.616 9.651 1.00 0.00 C ATOM 170 CG GLU A 49 5.906 -0.204 9.088 1.00 0.00 C ATOM 171 CD GLU A 49 7.020 -0.427 10.089 1.00 0.00 C ATOM 172 OE1 GLU A 49 6.862 -0.034 11.262 1.00 0.00 O ATOM 173 OE2 GLU A 49 8.052 -1.021 9.704 1.00 0.00 O ATOM 0 H GLU A 49 3.931 -1.368 8.527 1.00 0.00 H new ATOM 0 HA GLU A 49 2.669 1.015 9.301 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.105 1.632 9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.461 0.198 10.613 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.526 -1.170 8.754 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.309 0.301 8.210 1.00 0.00 H new ATOM 180 N LEU A 50 4.565 1.255 6.617 1.00 0.00 N ATOM 181 CA LEU A 50 4.869 2.079 5.452 1.00 0.00 C ATOM 182 C LEU A 50 3.618 2.371 4.626 1.00 0.00 C ATOM 183 O LEU A 50 3.338 3.519 4.281 1.00 0.00 O ATOM 184 CB LEU A 50 5.891 1.348 4.579 1.00 0.00 C ATOM 185 CG LEU A 50 7.370 1.539 4.937 1.00 0.00 C ATOM 186 CD1 LEU A 50 7.613 1.467 6.429 1.00 0.00 C ATOM 187 CD2 LEU A 50 8.194 0.474 4.251 1.00 0.00 C ATOM 0 H LEU A 50 5.026 0.345 6.613 1.00 0.00 H new ATOM 0 HA LEU A 50 5.271 3.030 5.802 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.668 0.282 4.616 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.747 1.669 3.547 1.00 0.00 H new ATOM 0 HG LEU A 50 7.663 2.533 4.599 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.675 1.608 6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.041 2.249 6.929 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.299 0.492 6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 50 9.246 0.608 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.864 -0.511 4.582 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.068 0.555 3.171 1.00 0.00 H new ATOM 199 N ILE A 51 2.902 1.311 4.270 1.00 0.00 N ATOM 200 CA ILE A 51 1.719 1.422 3.427 1.00 0.00 C ATOM 201 C ILE A 51 0.635 2.238 4.096 1.00 0.00 C ATOM 202 O ILE A 51 0.099 3.151 3.492 1.00 0.00 O ATOM 203 CB ILE A 51 1.145 0.036 3.075 1.00 0.00 C ATOM 204 CG1 ILE A 51 2.184 -0.786 2.320 1.00 0.00 C ATOM 205 CG2 ILE A 51 -0.127 0.177 2.248 1.00 0.00 C ATOM 206 CD1 ILE A 51 1.733 -2.196 2.032 1.00 0.00 C ATOM 0 H ILE A 51 3.123 0.357 4.555 1.00 0.00 H new ATOM 0 HA ILE A 51 2.038 1.925 2.514 1.00 0.00 H new ATOM 0 HB ILE A 51 0.894 -0.482 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.418 -0.287 1.379 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.105 -0.818 2.902 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.517 -0.812 2.009 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.872 0.733 2.818 1.00 0.00 H new ATOM 0 HG23 ILE A 51 0.097 0.711 1.325 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.518 -2.726 1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.526 -2.711 2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.829 -2.172 1.424 1.00 0.00 H new ATOM 218 N ILE A 52 0.286 1.882 5.322 1.00 0.00 N ATOM 219 CA ILE A 52 -0.801 2.550 6.022 1.00 0.00 C ATOM 220 C ILE A 52 -0.496 4.021 6.271 1.00 0.00 C ATOM 221 O ILE A 52 -1.357 4.878 6.059 1.00 0.00 O ATOM 222 CB ILE A 52 -1.132 1.853 7.349 1.00 0.00 C ATOM 223 CG1 ILE A 52 -1.771 0.496 7.060 1.00 0.00 C ATOM 224 CG2 ILE A 52 -2.053 2.726 8.185 1.00 0.00 C ATOM 225 CD1 ILE A 52 -2.030 -0.342 8.287 1.00 0.00 C ATOM 0 H ILE A 52 0.738 1.137 5.852 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.673 2.487 5.370 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.217 1.694 7.919 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.714 0.656 6.538 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.123 -0.061 6.384 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.280 2.221 9.124 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.562 3.677 8.394 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.978 2.908 7.638 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.484 -1.288 7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.088 -0.536 8.800 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.705 0.192 8.956 1.00 0.00 H new ATOM 237 N GLU A 53 0.745 4.315 6.652 1.00 0.00 N ATOM 238 CA GLU A 53 1.166 5.692 6.871 1.00 0.00 C ATOM 239 C GLU A 53 0.925 6.512 5.611 1.00 0.00 C ATOM 240 O GLU A 53 0.443 7.644 5.672 1.00 0.00 O ATOM 241 CB GLU A 53 2.640 5.751 7.273 1.00 0.00 C ATOM 242 CG GLU A 53 3.111 7.150 7.641 1.00 0.00 C ATOM 243 CD GLU A 53 4.544 7.185 8.134 1.00 0.00 C ATOM 244 OE1 GLU A 53 5.459 6.861 7.354 1.00 0.00 O ATOM 245 OE2 GLU A 53 4.759 7.558 9.307 1.00 0.00 O ATOM 0 H GLU A 53 1.473 3.619 6.814 1.00 0.00 H new ATOM 0 HA GLU A 53 0.577 6.112 7.686 1.00 0.00 H new ATOM 0 HB2 GLU A 53 2.805 5.086 8.121 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.249 5.376 6.450 1.00 0.00 H new ATOM 0 HG2 GLU A 53 3.017 7.799 6.771 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.457 7.555 8.413 1.00 0.00 H new ATOM 252 N GLY A 54 1.154 5.891 4.466 1.00 0.00 N ATOM 253 CA GLY A 54 0.845 6.533 3.213 1.00 0.00 C ATOM 254 C GLY A 54 -0.620 6.488 2.893 1.00 0.00 C ATOM 255 O GLY A 54 -1.227 7.516 2.622 1.00 0.00 O ATOM 0 H GLY A 54 1.548 4.954 4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.174 7.571 3.249 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.404 6.049 2.412 1.00 0.00 H new ATOM 259 N LEU A 55 -1.148 5.278 2.815 1.00 0.00 N ATOM 260 CA LEU A 55 -2.509 5.024 2.367 1.00 0.00 C ATOM 261 C LEU A 55 -3.534 5.909 3.084 1.00 0.00 C ATOM 262 O LEU A 55 -4.530 6.324 2.496 1.00 0.00 O ATOM 263 CB LEU A 55 -2.822 3.541 2.571 1.00 0.00 C ATOM 264 CG LEU A 55 -4.155 3.054 2.017 1.00 0.00 C ATOM 265 CD1 LEU A 55 -4.265 3.368 0.540 1.00 0.00 C ATOM 266 CD2 LEU A 55 -4.297 1.560 2.240 1.00 0.00 C ATOM 0 H LEU A 55 -0.637 4.431 3.065 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.581 5.277 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.025 2.956 2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.797 3.329 3.640 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.957 3.572 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.224 3.012 0.163 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.193 4.445 0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.457 2.873 0.002 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.253 1.222 1.841 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.486 1.038 1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.254 1.346 3.308 1.00 0.00 H new ATOM 278 N THR A 56 -3.261 6.231 4.340 1.00 0.00 N ATOM 279 CA THR A 56 -4.127 7.109 5.112 1.00 0.00 C ATOM 280 C THR A 56 -3.978 8.568 4.648 1.00 0.00 C ATOM 281 O THR A 56 -4.910 9.366 4.752 1.00 0.00 O ATOM 282 CB THR A 56 -3.818 6.994 6.628 1.00 0.00 C ATOM 283 OG1 THR A 56 -4.865 7.595 7.400 1.00 0.00 O ATOM 284 CG2 THR A 56 -2.496 7.656 6.980 1.00 0.00 C ATOM 0 H THR A 56 -2.443 5.895 4.848 1.00 0.00 H new ATOM 0 HA THR A 56 -5.157 6.796 4.944 1.00 0.00 H new ATOM 0 HB THR A 56 -3.749 5.932 6.864 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.656 7.513 8.354 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.312 7.556 8.050 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.689 7.175 6.427 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.537 8.713 6.716 1.00 0.00 H new ATOM 292 N ALA A 57 -2.777 8.918 4.198 1.00 0.00 N ATOM 293 CA ALA A 57 -2.458 10.287 3.808 1.00 0.00 C ATOM 294 C ALA A 57 -2.785 10.579 2.343 1.00 0.00 C ATOM 295 O ALA A 57 -3.328 11.637 2.030 1.00 0.00 O ATOM 296 CB ALA A 57 -0.988 10.574 4.082 1.00 0.00 C ATOM 0 H ALA A 57 -2.001 8.264 4.094 1.00 0.00 H new ATOM 0 HA ALA A 57 -3.085 10.945 4.409 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.756 11.598 3.789 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.784 10.446 5.145 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.369 9.883 3.509 1.00 0.00 H new ATOM 302 N LEU A 58 -2.326 9.723 1.430 1.00 0.00 N ATOM 303 CA LEU A 58 -2.439 10.033 0.010 1.00 0.00 C ATOM 304 C LEU A 58 -3.722 9.470 -0.593 1.00 0.00 C ATOM 305 O LEU A 58 -3.852 9.371 -1.813 1.00 0.00 O ATOM 306 CB LEU A 58 -1.209 9.538 -0.775 1.00 0.00 C ATOM 307 CG LEU A 58 -1.239 8.081 -1.243 1.00 0.00 C ATOM 308 CD1 LEU A 58 -0.435 7.920 -2.523 1.00 0.00 C ATOM 309 CD2 LEU A 58 -0.704 7.156 -0.183 1.00 0.00 C ATOM 0 H LEU A 58 -1.882 8.830 1.643 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.481 11.119 -0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.084 10.175 -1.651 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.327 9.678 -0.150 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.278 7.815 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.466 6.879 -2.843 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.861 8.552 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.599 8.214 -2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.738 6.129 -0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.327 7.425 0.048 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.312 7.244 0.717 1.00 0.00 H new ATOM 321 N LYS A 59 -4.683 9.123 0.257 1.00 0.00 N ATOM 322 CA LYS A 59 -5.953 8.595 -0.212 1.00 0.00 C ATOM 323 C LYS A 59 -6.751 9.679 -0.937 1.00 0.00 C ATOM 324 O LYS A 59 -7.568 9.386 -1.811 1.00 0.00 O ATOM 325 CB LYS A 59 -6.754 8.032 0.961 1.00 0.00 C ATOM 326 CG LYS A 59 -7.391 9.092 1.839 1.00 0.00 C ATOM 327 CD LYS A 59 -7.797 8.522 3.184 1.00 0.00 C ATOM 328 CE LYS A 59 -8.547 9.545 4.019 1.00 0.00 C ATOM 329 NZ LYS A 59 -9.885 9.856 3.449 1.00 0.00 N ATOM 0 H LYS A 59 -4.604 9.199 1.271 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.756 7.788 -0.918 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.535 7.378 0.573 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.097 7.415 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.691 9.914 1.986 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.266 9.505 1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.424 7.643 3.034 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.909 8.191 3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -8.664 9.168 5.035 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.959 10.461 4.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.448 10.379 4.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.772 10.436 2.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.373 8.970 3.205 1.00 0.00 H new ATOM 343 N GLU A 60 -6.526 10.927 -0.530 1.00 0.00 N ATOM 344 CA GLU A 60 -7.213 12.077 -1.106 1.00 0.00 C ATOM 345 C GLU A 60 -8.728 11.941 -0.942 1.00 0.00 C ATOM 346 O GLU A 60 -9.247 12.025 0.173 1.00 0.00 O ATOM 347 CB GLU A 60 -6.832 12.256 -2.581 1.00 0.00 C ATOM 348 CG GLU A 60 -5.346 12.490 -2.801 1.00 0.00 C ATOM 349 CD GLU A 60 -4.995 12.728 -4.256 1.00 0.00 C ATOM 350 OE1 GLU A 60 -5.915 12.770 -5.099 1.00 0.00 O ATOM 351 OE2 GLU A 60 -3.796 12.877 -4.565 1.00 0.00 O ATOM 0 H GLU A 60 -5.863 11.167 0.207 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.895 12.970 -0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.138 11.370 -3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.389 13.098 -2.992 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.027 13.349 -2.211 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.789 11.627 -2.435 1.00 0.00 H new ATOM 358 N ARG A 61 -9.434 11.786 -2.058 1.00 0.00 N ATOM 359 CA ARG A 61 -10.893 11.715 -2.044 1.00 0.00 C ATOM 360 C ARG A 61 -11.396 10.447 -1.356 1.00 0.00 C ATOM 361 O ARG A 61 -12.489 10.449 -0.787 1.00 0.00 O ATOM 362 CB ARG A 61 -11.450 11.802 -3.467 1.00 0.00 C ATOM 363 CG ARG A 61 -11.183 10.570 -4.312 1.00 0.00 C ATOM 364 CD ARG A 61 -11.295 10.883 -5.794 1.00 0.00 C ATOM 365 NE ARG A 61 -10.351 11.927 -6.192 1.00 0.00 N ATOM 366 CZ ARG A 61 -9.026 11.788 -6.153 1.00 0.00 C ATOM 367 NH1 ARG A 61 -8.480 10.614 -5.859 1.00 0.00 N ATOM 368 NH2 ARG A 61 -8.248 12.824 -6.423 1.00 0.00 N ATOM 0 H ARG A 61 -9.019 11.707 -2.986 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.253 12.568 -1.468 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.526 11.968 -3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -11.017 12.671 -3.963 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.187 10.185 -4.094 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.892 9.785 -4.049 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.106 9.979 -6.374 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.311 11.202 -6.024 1.00 0.00 H new ATOM 0 HE ARG A 61 -10.730 12.816 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.075 9.810 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.465 10.516 -5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.663 13.725 -6.660 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -7.234 12.721 -6.394 1.00 0.00 H new ATOM 382 N LYS A 62 -10.598 9.376 -1.378 1.00 0.00 N ATOM 383 CA LYS A 62 -10.994 8.132 -0.722 1.00 0.00 C ATOM 384 C LYS A 62 -9.880 7.086 -0.721 1.00 0.00 C ATOM 385 O LYS A 62 -9.694 6.395 0.279 1.00 0.00 O ATOM 386 CB LYS A 62 -12.266 7.545 -1.362 1.00 0.00 C ATOM 387 CG LYS A 62 -12.167 7.296 -2.858 1.00 0.00 C ATOM 388 CD LYS A 62 -13.484 6.785 -3.418 1.00 0.00 C ATOM 389 CE LYS A 62 -13.410 6.574 -4.919 1.00 0.00 C ATOM 390 NZ LYS A 62 -14.713 6.126 -5.478 1.00 0.00 N ATOM 0 H LYS A 62 -9.687 9.346 -1.836 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.203 8.389 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.505 6.604 -0.866 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.097 8.225 -1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -11.887 8.219 -3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.378 6.571 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.747 5.846 -2.931 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.278 7.496 -3.189 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.107 7.503 -5.402 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -12.643 5.833 -5.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.623 5.993 -6.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.990 5.227 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.439 6.845 -5.285 1.00 0.00 H new ATOM 404 N GLY A 63 -9.179 6.922 -1.838 1.00 0.00 N ATOM 405 CA GLY A 63 -8.177 5.872 -1.912 1.00 0.00 C ATOM 406 C GLY A 63 -7.029 6.182 -2.846 1.00 0.00 C ATOM 407 O GLY A 63 -7.138 7.044 -3.720 1.00 0.00 O ATOM 0 H GLY A 63 -9.283 7.487 -2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.780 5.691 -0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.657 4.948 -2.236 1.00 0.00 H new ATOM 411 N SER A 64 -5.914 5.504 -2.620 1.00 0.00 N ATOM 412 CA SER A 64 -4.699 5.717 -3.385 1.00 0.00 C ATOM 413 C SER A 64 -4.451 4.569 -4.354 1.00 0.00 C ATOM 414 O SER A 64 -4.637 3.401 -4.010 1.00 0.00 O ATOM 415 CB SER A 64 -3.512 5.826 -2.435 1.00 0.00 C ATOM 416 OG SER A 64 -3.896 6.444 -1.220 1.00 0.00 O ATOM 0 H SER A 64 -5.828 4.789 -1.898 1.00 0.00 H new ATOM 0 HA SER A 64 -4.815 6.638 -3.956 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.110 4.833 -2.232 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.715 6.402 -2.906 1.00 0.00 H new ATOM 0 HG SER A 64 -3.253 6.212 -0.518 1.00 0.00 H new ATOM 422 N SER A 65 -3.921 4.897 -5.519 1.00 0.00 N ATOM 423 CA SER A 65 -3.515 3.889 -6.479 1.00 0.00 C ATOM 424 C SER A 65 -2.374 3.053 -5.892 1.00 0.00 C ATOM 425 O SER A 65 -1.530 3.575 -5.160 1.00 0.00 O ATOM 426 CB SER A 65 -3.078 4.571 -7.776 1.00 0.00 C ATOM 427 OG SER A 65 -2.993 3.652 -8.851 1.00 0.00 O ATOM 0 H SER A 65 -3.762 5.858 -5.823 1.00 0.00 H new ATOM 0 HA SER A 65 -4.352 3.226 -6.699 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.786 5.361 -8.028 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.109 5.047 -7.628 1.00 0.00 H new ATOM 0 HG SER A 65 -2.713 4.124 -9.663 1.00 0.00 H new ATOM 433 N ARG A 66 -2.386 1.753 -6.163 1.00 0.00 N ATOM 434 CA ARG A 66 -1.370 0.843 -5.628 1.00 0.00 C ATOM 435 C ARG A 66 0.057 1.289 -5.981 1.00 0.00 C ATOM 436 O ARG A 66 0.902 1.389 -5.092 1.00 0.00 O ATOM 437 CB ARG A 66 -1.635 -0.590 -6.100 1.00 0.00 C ATOM 438 CG ARG A 66 -2.854 -1.206 -5.436 1.00 0.00 C ATOM 439 CD ARG A 66 -3.350 -2.450 -6.159 1.00 0.00 C ATOM 440 NE ARG A 66 -2.933 -3.695 -5.507 1.00 0.00 N ATOM 441 CZ ARG A 66 -1.768 -4.305 -5.716 1.00 0.00 C ATOM 442 NH1 ARG A 66 -0.916 -3.836 -6.619 1.00 0.00 N ATOM 443 NH2 ARG A 66 -1.473 -5.414 -5.051 1.00 0.00 N ATOM 0 H ARG A 66 -3.087 1.301 -6.750 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.445 0.872 -4.541 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -1.774 -0.593 -7.181 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -0.761 -1.206 -5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.610 -1.463 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -3.655 -0.468 -5.400 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.438 -2.422 -6.214 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.978 -2.441 -7.184 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.581 -4.124 -4.847 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.152 -3.003 -7.158 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.025 -4.309 -6.774 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.138 -5.799 -4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.581 -5.882 -5.210 1.00 0.00 H new ATOM 457 N PRO A 67 0.359 1.603 -7.264 1.00 0.00 N ATOM 458 CA PRO A 67 1.687 2.101 -7.651 1.00 0.00 C ATOM 459 C PRO A 67 2.062 3.384 -6.903 1.00 0.00 C ATOM 460 O PRO A 67 3.236 3.627 -6.616 1.00 0.00 O ATOM 461 CB PRO A 67 1.562 2.374 -9.153 1.00 0.00 C ATOM 462 CG PRO A 67 0.097 2.459 -9.417 1.00 0.00 C ATOM 463 CD PRO A 67 -0.551 1.542 -8.423 1.00 0.00 C ATOM 0 HA PRO A 67 2.471 1.384 -7.408 1.00 0.00 H new ATOM 0 HB2 PRO A 67 2.066 3.301 -9.427 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.021 1.577 -9.737 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.263 3.481 -9.299 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.135 2.156 -10.438 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.556 1.875 -8.164 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.642 0.527 -8.811 1.00 0.00 H new ATOM 471 N ALA A 68 1.050 4.170 -6.531 1.00 0.00 N ATOM 472 CA ALA A 68 1.269 5.392 -5.763 1.00 0.00 C ATOM 473 C ALA A 68 1.761 5.068 -4.358 1.00 0.00 C ATOM 474 O ALA A 68 2.671 5.722 -3.844 1.00 0.00 O ATOM 475 CB ALA A 68 -0.003 6.222 -5.702 1.00 0.00 C ATOM 0 H ALA A 68 0.072 3.980 -6.750 1.00 0.00 H new ATOM 0 HA ALA A 68 2.038 5.976 -6.269 1.00 0.00 H new ATOM 0 HB1 ALA A 68 0.181 7.128 -5.125 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.311 6.491 -6.712 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.793 5.642 -5.224 1.00 0.00 H new ATOM 481 N LEU A 69 1.204 4.011 -3.770 1.00 0.00 N ATOM 482 CA LEU A 69 1.642 3.538 -2.462 1.00 0.00 C ATOM 483 C LEU A 69 3.096 3.090 -2.519 1.00 0.00 C ATOM 484 O LEU A 69 3.903 3.468 -1.670 1.00 0.00 O ATOM 485 CB LEU A 69 0.759 2.385 -1.982 1.00 0.00 C ATOM 486 CG LEU A 69 -0.601 2.792 -1.419 1.00 0.00 C ATOM 487 CD1 LEU A 69 -1.473 1.568 -1.195 1.00 0.00 C ATOM 488 CD2 LEU A 69 -0.419 3.561 -0.121 1.00 0.00 C ATOM 0 H LEU A 69 0.447 3.466 -4.182 1.00 0.00 H new ATOM 0 HA LEU A 69 1.554 4.363 -1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.598 1.701 -2.816 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.300 1.831 -1.215 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.099 3.438 -2.142 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.438 1.877 -0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.623 1.050 -2.142 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.984 0.897 -0.488 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.395 3.847 0.272 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.095 2.932 0.606 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.173 4.457 -0.309 1.00 0.00 H new ATOM 500 N LYS A 70 3.435 2.356 -3.576 1.00 0.00 N ATOM 501 CA LYS A 70 4.810 1.926 -3.802 1.00 0.00 C ATOM 502 C LYS A 70 5.747 3.127 -3.864 1.00 0.00 C ATOM 503 O LYS A 70 6.851 3.098 -3.326 1.00 0.00 O ATOM 504 CB LYS A 70 4.925 1.148 -5.113 1.00 0.00 C ATOM 505 CG LYS A 70 4.134 -0.149 -5.159 1.00 0.00 C ATOM 506 CD LYS A 70 4.413 -0.894 -6.454 1.00 0.00 C ATOM 507 CE LYS A 70 3.637 -2.194 -6.541 1.00 0.00 C ATOM 508 NZ LYS A 70 3.938 -2.933 -7.793 1.00 0.00 N ATOM 0 H LYS A 70 2.775 2.047 -4.289 1.00 0.00 H new ATOM 0 HA LYS A 70 5.094 1.283 -2.969 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.592 1.789 -5.929 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.976 0.922 -5.294 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.400 -0.775 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.068 0.064 -5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 70 4.152 -0.259 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.480 -1.103 -6.529 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.879 -2.820 -5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.569 -1.984 -6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.085 -3.433 -8.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 4.244 -2.263 -8.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.696 -3.622 -7.616 1.00 0.00 H new ATOM 522 N LYS A 71 5.287 4.182 -4.520 1.00 0.00 N ATOM 523 CA LYS A 71 6.075 5.387 -4.686 1.00 0.00 C ATOM 524 C LYS A 71 6.266 6.085 -3.356 1.00 0.00 C ATOM 525 O LYS A 71 7.380 6.456 -2.989 1.00 0.00 O ATOM 526 CB LYS A 71 5.388 6.325 -5.667 1.00 0.00 C ATOM 527 CG LYS A 71 6.178 7.589 -5.930 1.00 0.00 C ATOM 528 CD LYS A 71 5.591 8.395 -7.068 1.00 0.00 C ATOM 529 CE LYS A 71 6.514 9.533 -7.456 1.00 0.00 C ATOM 530 NZ LYS A 71 7.807 9.039 -7.999 1.00 0.00 N ATOM 0 H LYS A 71 4.362 4.224 -4.949 1.00 0.00 H new ATOM 0 HA LYS A 71 7.054 5.110 -5.078 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.227 5.801 -6.609 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.405 6.592 -5.278 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.199 8.198 -5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.211 7.330 -6.164 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.423 7.748 -7.929 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.620 8.793 -6.774 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.024 10.160 -8.201 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.702 10.161 -6.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 7.995 9.493 -8.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 8.573 9.270 -7.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 7.759 8.008 -8.127 1.00 0.00 H new ATOM 544 N PHE A 72 5.168 6.227 -2.632 1.00 0.00 N ATOM 545 CA PHE A 72 5.181 6.846 -1.316 1.00 0.00 C ATOM 546 C PHE A 72 6.231 6.188 -0.431 1.00 0.00 C ATOM 547 O PHE A 72 7.000 6.864 0.256 1.00 0.00 O ATOM 548 CB PHE A 72 3.803 6.723 -0.660 1.00 0.00 C ATOM 549 CG PHE A 72 3.751 7.266 0.740 1.00 0.00 C ATOM 550 CD1 PHE A 72 4.090 6.465 1.817 1.00 0.00 C ATOM 551 CD2 PHE A 72 3.380 8.576 0.975 1.00 0.00 C ATOM 552 CE1 PHE A 72 4.064 6.963 3.107 1.00 0.00 C ATOM 553 CE2 PHE A 72 3.351 9.085 2.262 1.00 0.00 C ATOM 554 CZ PHE A 72 3.694 8.275 3.330 1.00 0.00 C ATOM 0 H PHE A 72 4.245 5.918 -2.938 1.00 0.00 H new ATOM 0 HA PHE A 72 5.428 7.901 -1.434 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.071 7.249 -1.272 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.510 5.673 -0.644 1.00 0.00 H new ATOM 0 HD1 PHE A 72 4.378 5.438 1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 72 3.109 9.211 0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 72 4.332 6.328 3.938 1.00 0.00 H new ATOM 0 HE2 PHE A 72 3.061 10.111 2.432 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.672 8.668 4.336 1.00 0.00 H new ATOM 564 N ILE A 73 6.243 4.864 -0.449 1.00 0.00 N ATOM 565 CA ILE A 73 7.177 4.101 0.355 1.00 0.00 C ATOM 566 C ILE A 73 8.614 4.371 -0.074 1.00 0.00 C ATOM 567 O ILE A 73 9.479 4.587 0.764 1.00 0.00 O ATOM 568 CB ILE A 73 6.882 2.591 0.281 1.00 0.00 C ATOM 569 CG1 ILE A 73 5.507 2.290 0.887 1.00 0.00 C ATOM 570 CG2 ILE A 73 7.968 1.803 0.999 1.00 0.00 C ATOM 571 CD1 ILE A 73 5.157 0.815 0.908 1.00 0.00 C ATOM 0 H ILE A 73 5.612 4.296 -1.015 1.00 0.00 H new ATOM 0 HA ILE A 73 7.052 4.424 1.388 1.00 0.00 H new ATOM 0 HB ILE A 73 6.873 2.287 -0.766 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.477 2.675 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.746 2.827 0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.745 0.738 0.938 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.931 2.000 0.529 1.00 0.00 H new ATOM 0 HG23 ILE A 73 8.006 2.106 2.045 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.170 0.682 1.351 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.153 0.427 -0.111 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.896 0.274 1.499 1.00 0.00 H new ATOM 583 N LYS A 74 8.856 4.389 -1.374 1.00 0.00 N ATOM 584 CA LYS A 74 10.196 4.641 -1.895 1.00 0.00 C ATOM 585 C LYS A 74 10.681 6.045 -1.547 1.00 0.00 C ATOM 586 O LYS A 74 11.864 6.248 -1.263 1.00 0.00 O ATOM 587 CB LYS A 74 10.229 4.424 -3.405 1.00 0.00 C ATOM 588 CG LYS A 74 9.886 3.002 -3.807 1.00 0.00 C ATOM 589 CD LYS A 74 10.052 2.782 -5.298 1.00 0.00 C ATOM 590 CE LYS A 74 9.691 1.358 -5.684 1.00 0.00 C ATOM 591 NZ LYS A 74 9.847 1.120 -7.142 1.00 0.00 N ATOM 0 H LYS A 74 8.146 4.233 -2.090 1.00 0.00 H new ATOM 0 HA LYS A 74 10.874 3.931 -1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.527 5.109 -3.880 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.222 4.673 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.526 2.307 -3.264 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.858 2.781 -3.519 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.420 3.482 -5.845 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.082 2.990 -5.587 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.323 0.662 -5.133 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.661 1.153 -5.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.591 0.137 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.225 1.766 -7.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.835 1.290 -7.418 1.00 0.00 H new ATOM 605 N GLU A 75 9.774 7.009 -1.579 1.00 0.00 N ATOM 606 CA GLU A 75 10.118 8.393 -1.282 1.00 0.00 C ATOM 607 C GLU A 75 10.451 8.579 0.200 1.00 0.00 C ATOM 608 O GLU A 75 11.308 9.389 0.554 1.00 0.00 O ATOM 609 CB GLU A 75 8.969 9.321 -1.681 1.00 0.00 C ATOM 610 CG GLU A 75 8.653 9.295 -3.169 1.00 0.00 C ATOM 611 CD GLU A 75 9.819 9.742 -4.028 1.00 0.00 C ATOM 612 OE1 GLU A 75 10.280 10.889 -3.862 1.00 0.00 O ATOM 613 OE2 GLU A 75 10.270 8.954 -4.884 1.00 0.00 O ATOM 0 H GLU A 75 8.791 6.859 -1.808 1.00 0.00 H new ATOM 0 HA GLU A 75 11.005 8.649 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.076 9.040 -1.124 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.219 10.341 -1.389 1.00 0.00 H new ATOM 0 HG2 GLU A 75 8.363 8.284 -3.456 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.796 9.940 -3.365 1.00 0.00 H new ATOM 620 N ASN A 76 9.701 7.911 1.064 1.00 0.00 N ATOM 621 CA ASN A 76 9.841 8.101 2.508 1.00 0.00 C ATOM 622 C ASN A 76 10.784 7.076 3.135 1.00 0.00 C ATOM 623 O ASN A 76 11.583 7.412 4.008 1.00 0.00 O ATOM 624 CB ASN A 76 8.468 8.033 3.178 1.00 0.00 C ATOM 625 CG ASN A 76 7.610 9.240 2.858 1.00 0.00 C ATOM 626 OD1 ASN A 76 7.784 10.315 3.432 1.00 0.00 O ATOM 627 ND2 ASN A 76 6.701 9.082 1.911 1.00 0.00 N ATOM 0 H ASN A 76 8.989 7.232 0.795 1.00 0.00 H new ATOM 0 HA ASN A 76 10.279 9.086 2.669 1.00 0.00 H new ATOM 0 HB2 ASN A 76 7.953 7.128 2.855 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.597 7.958 4.258 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.113 9.868 1.632 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.588 8.175 1.459 1.00 0.00 H new ATOM 634 N TYR A 77 10.678 5.828 2.705 1.00 0.00 N ATOM 635 CA TYR A 77 11.510 4.756 3.244 1.00 0.00 C ATOM 636 C TYR A 77 12.292 4.069 2.127 1.00 0.00 C ATOM 637 O TYR A 77 11.941 2.963 1.711 1.00 0.00 O ATOM 638 CB TYR A 77 10.660 3.709 3.971 1.00 0.00 C ATOM 639 CG TYR A 77 9.851 4.244 5.134 1.00 0.00 C ATOM 640 CD1 TYR A 77 8.683 4.962 4.922 1.00 0.00 C ATOM 641 CD2 TYR A 77 10.247 4.011 6.445 1.00 0.00 C ATOM 642 CE1 TYR A 77 7.933 5.435 5.978 1.00 0.00 C ATOM 643 CE2 TYR A 77 9.501 4.479 7.508 1.00 0.00 C ATOM 644 CZ TYR A 77 8.346 5.191 7.269 1.00 0.00 C ATOM 645 OH TYR A 77 7.595 5.661 8.323 1.00 0.00 O ATOM 0 H TYR A 77 10.023 5.529 1.982 1.00 0.00 H new ATOM 0 HA TYR A 77 12.204 5.208 3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 77 9.979 3.252 3.253 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.316 2.919 4.336 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.355 5.154 3.911 1.00 0.00 H new ATOM 0 HD2 TYR A 77 11.153 3.455 6.636 1.00 0.00 H new ATOM 0 HE1 TYR A 77 7.027 5.993 5.794 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.821 4.288 8.522 1.00 0.00 H new ATOM 0 HH TYR A 77 6.885 6.246 7.984 1.00 0.00 H new ATOM 655 N PRO A 78 13.373 4.699 1.640 1.00 0.00 N ATOM 656 CA PRO A 78 14.199 4.146 0.558 1.00 0.00 C ATOM 657 C PRO A 78 14.814 2.793 0.914 1.00 0.00 C ATOM 658 O PRO A 78 15.222 2.040 0.031 1.00 0.00 O ATOM 659 CB PRO A 78 15.294 5.193 0.352 1.00 0.00 C ATOM 660 CG PRO A 78 15.290 6.023 1.591 1.00 0.00 C ATOM 661 CD PRO A 78 13.875 6.008 2.093 1.00 0.00 C ATOM 0 HA PRO A 78 13.603 3.958 -0.335 1.00 0.00 H new ATOM 0 HB2 PRO A 78 16.264 4.721 0.199 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.094 5.802 -0.529 1.00 0.00 H new ATOM 0 HG2 PRO A 78 15.973 5.615 2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.619 7.041 1.380 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.831 6.103 3.178 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.291 6.829 1.677 1.00 0.00 H new ATOM 669 N ILE A 79 14.838 2.482 2.210 1.00 0.00 N ATOM 670 CA ILE A 79 15.346 1.204 2.695 1.00 0.00 C ATOM 671 C ILE A 79 14.608 0.063 2.022 1.00 0.00 C ATOM 672 O ILE A 79 15.160 -0.688 1.219 1.00 0.00 O ATOM 673 CB ILE A 79 15.124 1.040 4.214 1.00 0.00 C ATOM 674 CG1 ILE A 79 15.462 2.323 4.986 1.00 0.00 C ATOM 675 CG2 ILE A 79 15.959 -0.114 4.736 1.00 0.00 C ATOM 676 CD1 ILE A 79 14.298 3.280 5.124 1.00 0.00 C ATOM 0 H ILE A 79 14.508 3.106 2.947 1.00 0.00 H new ATOM 0 HA ILE A 79 16.412 1.185 2.469 1.00 0.00 H new ATOM 0 HB ILE A 79 14.066 0.830 4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.818 2.054 5.980 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.282 2.834 4.481 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.798 -0.224 5.808 1.00 0.00 H new ATOM 0 HG22 ILE A 79 15.667 -1.033 4.229 1.00 0.00 H new ATOM 0 HG23 ILE A 79 17.014 0.085 4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.616 4.161 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 79 13.955 3.580 4.134 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.484 2.788 5.657 1.00 0.00 H new ATOM 688 N VAL A 80 13.329 0.004 2.320 1.00 0.00 N ATOM 689 CA VAL A 80 12.435 -0.970 1.740 1.00 0.00 C ATOM 690 C VAL A 80 12.087 -0.579 0.313 1.00 0.00 C ATOM 691 O VAL A 80 11.831 -1.434 -0.530 1.00 0.00 O ATOM 692 CB VAL A 80 11.167 -1.084 2.598 1.00 0.00 C ATOM 693 CG1 VAL A 80 9.920 -0.968 1.772 1.00 0.00 C ATOM 694 CG2 VAL A 80 11.155 -2.380 3.376 1.00 0.00 C ATOM 0 H VAL A 80 12.877 0.638 2.979 1.00 0.00 H new ATOM 0 HA VAL A 80 12.929 -1.942 1.715 1.00 0.00 H new ATOM 0 HB VAL A 80 11.183 -0.251 3.300 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.046 -1.054 2.418 1.00 0.00 H new ATOM 0 HG12 VAL A 80 9.905 -0.001 1.269 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.901 -1.764 1.028 1.00 0.00 H new ATOM 0 HG21 VAL A 80 10.246 -2.436 3.976 1.00 0.00 H new ATOM 0 HG22 VAL A 80 11.185 -3.221 2.683 1.00 0.00 H new ATOM 0 HG23 VAL A 80 12.025 -2.419 4.031 1.00 0.00 H new ATOM 704 N GLY A 81 12.020 0.725 0.073 1.00 0.00 N ATOM 705 CA GLY A 81 11.649 1.217 -1.231 1.00 0.00 C ATOM 706 C GLY A 81 12.471 0.597 -2.346 1.00 0.00 C ATOM 707 O GLY A 81 11.935 0.210 -3.383 1.00 0.00 O ATOM 0 H GLY A 81 12.218 1.449 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.593 1.011 -1.406 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.771 2.300 -1.254 1.00 0.00 H new ATOM 711 N SER A 82 13.769 0.473 -2.114 1.00 0.00 N ATOM 712 CA SER A 82 14.661 -0.129 -3.085 1.00 0.00 C ATOM 713 C SER A 82 14.998 -1.572 -2.697 1.00 0.00 C ATOM 714 O SER A 82 16.085 -2.072 -3.001 1.00 0.00 O ATOM 715 CB SER A 82 15.934 0.706 -3.177 1.00 0.00 C ATOM 716 OG SER A 82 15.626 2.079 -3.371 1.00 0.00 O ATOM 0 H SER A 82 14.227 0.784 -1.257 1.00 0.00 H new ATOM 0 HA SER A 82 14.167 -0.152 -4.056 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.519 0.586 -2.265 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.550 0.347 -4.001 1.00 0.00 H new ATOM 0 HG SER A 82 16.457 2.596 -3.425 1.00 0.00 H new ATOM 722 N ALA A 83 14.058 -2.244 -2.039 1.00 0.00 N ATOM 723 CA ALA A 83 14.249 -3.629 -1.629 1.00 0.00 C ATOM 724 C ALA A 83 14.128 -4.567 -2.825 1.00 0.00 C ATOM 725 O ALA A 83 13.432 -4.261 -3.797 1.00 0.00 O ATOM 726 CB ALA A 83 13.254 -4.012 -0.542 1.00 0.00 C ATOM 0 H ALA A 83 13.154 -1.849 -1.778 1.00 0.00 H new ATOM 0 HA ALA A 83 15.254 -3.727 -1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.415 -5.050 -0.251 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.395 -3.366 0.325 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.239 -3.894 -0.920 1.00 0.00 H new ATOM 732 N SER A 84 14.863 -5.671 -2.779 1.00 0.00 N ATOM 733 CA SER A 84 14.912 -6.615 -3.889 1.00 0.00 C ATOM 734 C SER A 84 13.531 -7.139 -4.264 1.00 0.00 C ATOM 735 O SER A 84 13.156 -7.135 -5.437 1.00 0.00 O ATOM 736 CB SER A 84 15.844 -7.773 -3.533 1.00 0.00 C ATOM 737 OG SER A 84 15.843 -8.016 -2.133 1.00 0.00 O ATOM 0 H SER A 84 15.437 -5.936 -1.979 1.00 0.00 H new ATOM 0 HA SER A 84 15.297 -6.086 -4.761 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.530 -8.673 -4.062 1.00 0.00 H new ATOM 0 HB3 SER A 84 16.857 -7.545 -3.865 1.00 0.00 H new ATOM 0 HG SER A 84 16.445 -8.762 -1.930 1.00 0.00 H new ATOM 743 N ASN A 85 12.761 -7.558 -3.276 1.00 0.00 N ATOM 744 CA ASN A 85 11.427 -8.074 -3.536 1.00 0.00 C ATOM 745 C ASN A 85 10.373 -7.153 -2.953 1.00 0.00 C ATOM 746 O ASN A 85 9.308 -7.605 -2.539 1.00 0.00 O ATOM 747 CB ASN A 85 11.274 -9.481 -2.961 1.00 0.00 C ATOM 748 CG ASN A 85 12.144 -10.495 -3.673 1.00 0.00 C ATOM 749 OD1 ASN A 85 11.949 -10.773 -4.858 1.00 0.00 O ATOM 750 ND2 ASN A 85 13.119 -11.040 -2.962 1.00 0.00 N ATOM 0 H ASN A 85 13.033 -7.552 -2.293 1.00 0.00 H new ATOM 0 HA ASN A 85 11.286 -8.121 -4.616 1.00 0.00 H new ATOM 0 HB2 ASN A 85 11.530 -9.467 -1.902 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.231 -9.788 -3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.746 -11.720 -3.393 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.243 -10.780 -1.984 1.00 0.00 H new ATOM 757 N PHE A 86 10.652 -5.853 -2.986 1.00 0.00 N ATOM 758 CA PHE A 86 9.711 -4.854 -2.500 1.00 0.00 C ATOM 759 C PHE A 86 8.365 -5.009 -3.187 1.00 0.00 C ATOM 760 O PHE A 86 7.316 -4.982 -2.543 1.00 0.00 O ATOM 761 CB PHE A 86 10.244 -3.444 -2.756 1.00 0.00 C ATOM 762 CG PHE A 86 9.240 -2.375 -2.449 1.00 0.00 C ATOM 763 CD1 PHE A 86 8.773 -2.202 -1.161 1.00 0.00 C ATOM 764 CD2 PHE A 86 8.739 -1.564 -3.454 1.00 0.00 C ATOM 765 CE1 PHE A 86 7.832 -1.239 -0.873 1.00 0.00 C ATOM 766 CE2 PHE A 86 7.796 -0.594 -3.173 1.00 0.00 C ATOM 767 CZ PHE A 86 7.340 -0.433 -1.881 1.00 0.00 C ATOM 0 H PHE A 86 11.525 -5.468 -3.346 1.00 0.00 H new ATOM 0 HA PHE A 86 9.589 -5.005 -1.427 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.135 -3.283 -2.150 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.548 -3.360 -3.799 1.00 0.00 H new ATOM 0 HD1 PHE A 86 9.151 -2.831 -0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.089 -1.691 -4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.479 -1.114 0.140 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.417 0.037 -3.963 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.600 0.321 -1.658 1.00 0.00 H new ATOM 777 N ASP A 87 8.411 -5.164 -4.502 1.00 0.00 N ATOM 778 CA ASP A 87 7.203 -5.300 -5.307 1.00 0.00 C ATOM 779 C ASP A 87 6.374 -6.501 -4.846 1.00 0.00 C ATOM 780 O ASP A 87 5.171 -6.386 -4.608 1.00 0.00 O ATOM 781 CB ASP A 87 7.580 -5.458 -6.784 1.00 0.00 C ATOM 782 CG ASP A 87 6.381 -5.491 -7.713 1.00 0.00 C ATOM 783 OD1 ASP A 87 5.270 -5.121 -7.290 1.00 0.00 O ATOM 784 OD2 ASP A 87 6.555 -5.866 -8.892 1.00 0.00 O ATOM 0 H ASP A 87 9.278 -5.199 -5.039 1.00 0.00 H new ATOM 0 HA ASP A 87 6.600 -4.401 -5.182 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.233 -4.635 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.152 -6.377 -6.909 1.00 0.00 H new ATOM 789 N LEU A 88 7.038 -7.634 -4.665 1.00 0.00 N ATOM 790 CA LEU A 88 6.378 -8.855 -4.218 1.00 0.00 C ATOM 791 C LEU A 88 5.822 -8.683 -2.806 1.00 0.00 C ATOM 792 O LEU A 88 4.662 -9.002 -2.537 1.00 0.00 O ATOM 793 CB LEU A 88 7.373 -10.030 -4.290 1.00 0.00 C ATOM 794 CG LEU A 88 6.843 -11.416 -3.883 1.00 0.00 C ATOM 795 CD1 LEU A 88 7.028 -11.658 -2.392 1.00 0.00 C ATOM 796 CD2 LEU A 88 5.378 -11.568 -4.264 1.00 0.00 C ATOM 0 H LEU A 88 8.041 -7.734 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 88 5.535 -9.071 -4.874 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.747 -10.096 -5.312 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.225 -9.792 -3.654 1.00 0.00 H new ATOM 0 HG LEU A 88 7.422 -12.164 -4.425 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.644 -12.645 -2.133 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.088 -11.604 -2.143 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.484 -10.899 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.025 -12.556 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.789 -10.804 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.269 -11.453 -5.342 1.00 0.00 H new ATOM 808 N TYR A 89 6.652 -8.169 -1.919 1.00 0.00 N ATOM 809 CA TYR A 89 6.268 -7.968 -0.530 1.00 0.00 C ATOM 810 C TYR A 89 5.056 -7.047 -0.419 1.00 0.00 C ATOM 811 O TYR A 89 4.113 -7.341 0.315 1.00 0.00 O ATOM 812 CB TYR A 89 7.436 -7.381 0.253 1.00 0.00 C ATOM 813 CG TYR A 89 8.557 -8.358 0.561 1.00 0.00 C ATOM 814 CD1 TYR A 89 8.814 -9.452 -0.256 1.00 0.00 C ATOM 815 CD2 TYR A 89 9.378 -8.161 1.663 1.00 0.00 C ATOM 816 CE1 TYR A 89 9.857 -10.317 0.015 1.00 0.00 C ATOM 817 CE2 TYR A 89 10.419 -9.023 1.943 1.00 0.00 C ATOM 818 CZ TYR A 89 10.654 -10.099 1.116 1.00 0.00 C ATOM 819 OH TYR A 89 11.701 -10.952 1.385 1.00 0.00 O ATOM 0 H TYR A 89 7.606 -7.880 -2.136 1.00 0.00 H new ATOM 0 HA TYR A 89 5.999 -8.937 -0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.848 -6.544 -0.311 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.058 -6.977 1.192 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.188 -9.629 -1.118 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.199 -7.318 2.313 1.00 0.00 H new ATOM 0 HE1 TYR A 89 10.046 -11.160 -0.634 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.046 -8.855 2.806 1.00 0.00 H new ATOM 0 HH TYR A 89 12.164 -10.656 2.197 1.00 0.00 H new ATOM 829 N PHE A 90 5.082 -5.950 -1.172 1.00 0.00 N ATOM 830 CA PHE A 90 3.986 -4.985 -1.180 1.00 0.00 C ATOM 831 C PHE A 90 2.670 -5.658 -1.553 1.00 0.00 C ATOM 832 O PHE A 90 1.645 -5.442 -0.906 1.00 0.00 O ATOM 833 CB PHE A 90 4.290 -3.859 -2.175 1.00 0.00 C ATOM 834 CG PHE A 90 3.180 -2.855 -2.309 1.00 0.00 C ATOM 835 CD1 PHE A 90 2.964 -1.903 -1.324 1.00 0.00 C ATOM 836 CD2 PHE A 90 2.360 -2.860 -3.422 1.00 0.00 C ATOM 837 CE1 PHE A 90 1.946 -0.980 -1.449 1.00 0.00 C ATOM 838 CE2 PHE A 90 1.337 -1.939 -3.552 1.00 0.00 C ATOM 839 CZ PHE A 90 1.133 -0.998 -2.563 1.00 0.00 C ATOM 0 H PHE A 90 5.857 -5.706 -1.789 1.00 0.00 H new ATOM 0 HA PHE A 90 3.889 -4.570 -0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.198 -3.344 -1.861 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.493 -4.295 -3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 90 3.599 -1.884 -0.450 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.520 -3.592 -4.199 1.00 0.00 H new ATOM 0 HE1 PHE A 90 1.786 -0.244 -0.675 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.700 -1.956 -4.424 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.336 -0.275 -2.662 1.00 0.00 H new ATOM 849 N ASN A 91 2.706 -6.457 -2.608 1.00 0.00 N ATOM 850 CA ASN A 91 1.514 -7.133 -3.108 1.00 0.00 C ATOM 851 C ASN A 91 0.932 -8.092 -2.073 1.00 0.00 C ATOM 852 O ASN A 91 -0.273 -8.074 -1.823 1.00 0.00 O ATOM 853 CB ASN A 91 1.831 -7.867 -4.411 1.00 0.00 C ATOM 854 CG ASN A 91 1.791 -6.941 -5.614 1.00 0.00 C ATOM 855 OD1 ASN A 91 0.723 -6.541 -6.067 1.00 0.00 O ATOM 856 ND2 ASN A 91 2.953 -6.548 -6.105 1.00 0.00 N ATOM 0 H ASN A 91 3.554 -6.656 -3.140 1.00 0.00 H new ATOM 0 HA ASN A 91 0.757 -6.374 -3.306 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.818 -8.323 -4.338 1.00 0.00 H new ATOM 0 HB3 ASN A 91 1.115 -8.677 -4.554 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.981 -5.892 -6.885 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.822 -6.901 -5.704 1.00 0.00 H new ATOM 863 N ASN A 92 1.788 -8.868 -1.418 1.00 0.00 N ATOM 864 CA ASN A 92 1.331 -9.772 -0.362 1.00 0.00 C ATOM 865 C ASN A 92 0.795 -8.985 0.829 1.00 0.00 C ATOM 866 O ASN A 92 -0.199 -9.375 1.447 1.00 0.00 O ATOM 867 CB ASN A 92 2.448 -10.702 0.110 1.00 0.00 C ATOM 868 CG ASN A 92 2.782 -11.792 -0.888 1.00 0.00 C ATOM 869 OD1 ASN A 92 1.893 -12.425 -1.462 1.00 0.00 O ATOM 870 ND2 ASN A 92 4.065 -12.053 -1.066 1.00 0.00 N ATOM 0 H ASN A 92 2.792 -8.892 -1.595 1.00 0.00 H new ATOM 0 HA ASN A 92 0.532 -10.379 -0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.343 -10.112 0.307 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.155 -11.161 1.054 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.350 -12.802 -1.697 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.770 -11.506 -0.572 1.00 0.00 H new ATOM 877 N ALA A 93 1.456 -7.880 1.149 1.00 0.00 N ATOM 878 CA ALA A 93 1.033 -7.030 2.252 1.00 0.00 C ATOM 879 C ALA A 93 -0.370 -6.491 1.999 1.00 0.00 C ATOM 880 O ALA A 93 -1.251 -6.602 2.857 1.00 0.00 O ATOM 881 CB ALA A 93 2.019 -5.888 2.454 1.00 0.00 C ATOM 0 H ALA A 93 2.288 -7.552 0.659 1.00 0.00 H new ATOM 0 HA ALA A 93 1.012 -7.628 3.163 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.687 -5.263 3.283 1.00 0.00 H new ATOM 0 HB2 ALA A 93 3.005 -6.294 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.072 -5.288 1.545 1.00 0.00 H new ATOM 887 N ILE A 94 -0.591 -5.991 0.785 1.00 0.00 N ATOM 888 CA ILE A 94 -1.901 -5.490 0.379 1.00 0.00 C ATOM 889 C ILE A 94 -2.948 -6.600 0.421 1.00 0.00 C ATOM 890 O ILE A 94 -4.039 -6.414 0.965 1.00 0.00 O ATOM 891 CB ILE A 94 -1.874 -4.902 -1.055 1.00 0.00 C ATOM 892 CG1 ILE A 94 -0.915 -3.711 -1.147 1.00 0.00 C ATOM 893 CG2 ILE A 94 -3.275 -4.489 -1.496 1.00 0.00 C ATOM 894 CD1 ILE A 94 -1.349 -2.504 -0.343 1.00 0.00 C ATOM 0 H ILE A 94 0.125 -5.922 0.062 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.162 -4.702 1.086 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.513 -5.681 -1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.071 -4.025 -0.806 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.813 -3.420 -2.193 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.233 -4.079 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.931 -5.359 -1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.663 -3.733 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.617 -1.705 -0.462 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.321 -2.161 -0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.422 -2.776 0.710 1.00 0.00 H new ATOM 906 N LYS A 95 -2.640 -7.722 -0.226 1.00 0.00 N ATOM 907 CA LYS A 95 -3.605 -8.804 -0.370 1.00 0.00 C ATOM 908 C LYS A 95 -4.014 -9.376 0.985 1.00 0.00 C ATOM 909 O LYS A 95 -5.192 -9.634 1.217 1.00 0.00 O ATOM 910 CB LYS A 95 -3.064 -9.904 -1.294 1.00 0.00 C ATOM 911 CG LYS A 95 -2.033 -10.817 -0.661 1.00 0.00 C ATOM 912 CD LYS A 95 -1.652 -11.973 -1.579 1.00 0.00 C ATOM 913 CE LYS A 95 -2.684 -13.100 -1.565 1.00 0.00 C ATOM 914 NZ LYS A 95 -3.963 -12.725 -2.230 1.00 0.00 N ATOM 0 H LYS A 95 -1.733 -7.903 -0.656 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.500 -8.386 -0.831 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -3.900 -10.510 -1.642 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -2.622 -9.435 -2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -1.141 -10.241 -0.415 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.426 -11.212 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.539 -11.601 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.683 -12.369 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.265 -13.975 -2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -2.887 -13.386 -0.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -4.341 -13.546 -2.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -4.651 -12.419 -1.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -3.792 -11.947 -2.899 1.00 0.00 H new ATOM 928 N LYS A 96 -3.061 -9.539 1.893 1.00 0.00 N ATOM 929 CA LYS A 96 -3.372 -10.055 3.216 1.00 0.00 C ATOM 930 C LYS A 96 -4.125 -9.007 4.028 1.00 0.00 C ATOM 931 O LYS A 96 -4.981 -9.332 4.850 1.00 0.00 O ATOM 932 CB LYS A 96 -2.105 -10.482 3.958 1.00 0.00 C ATOM 933 CG LYS A 96 -2.397 -11.188 5.274 1.00 0.00 C ATOM 934 CD LYS A 96 -3.183 -12.467 5.044 1.00 0.00 C ATOM 935 CE LYS A 96 -3.672 -13.071 6.346 1.00 0.00 C ATOM 936 NZ LYS A 96 -4.632 -14.180 6.106 1.00 0.00 N ATOM 0 H LYS A 96 -2.076 -9.323 1.739 1.00 0.00 H new ATOM 0 HA LYS A 96 -4.004 -10.934 3.092 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.522 -11.144 3.318 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.490 -9.603 4.152 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -1.461 -11.419 5.782 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -2.960 -10.524 5.930 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -4.036 -12.258 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.556 -13.189 4.521 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -2.822 -13.442 6.918 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -4.150 -12.299 6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -5.036 -14.491 7.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.395 -13.849 5.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -4.137 -14.976 5.656 1.00 0.00 H new ATOM 950 N GLY A 97 -3.780 -7.750 3.811 1.00 0.00 N ATOM 951 CA GLY A 97 -4.400 -6.676 4.553 1.00 0.00 C ATOM 952 C GLY A 97 -5.864 -6.493 4.215 1.00 0.00 C ATOM 953 O GLY A 97 -6.671 -6.202 5.097 1.00 0.00 O ATOM 0 H GLY A 97 -3.079 -7.453 3.132 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.301 -6.874 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.867 -5.747 4.351 1.00 0.00 H new ATOM 957 N VAL A 98 -6.211 -6.608 2.936 1.00 0.00 N ATOM 958 CA VAL A 98 -7.594 -6.400 2.513 1.00 0.00 C ATOM 959 C VAL A 98 -8.519 -7.468 3.098 1.00 0.00 C ATOM 960 O VAL A 98 -9.576 -7.143 3.636 1.00 0.00 O ATOM 961 CB VAL A 98 -7.754 -6.333 0.971 1.00 0.00 C ATOM 962 CG1 VAL A 98 -7.113 -5.069 0.427 1.00 0.00 C ATOM 963 CG2 VAL A 98 -7.161 -7.551 0.284 1.00 0.00 C ATOM 0 H VAL A 98 -5.564 -6.841 2.183 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.885 -5.426 2.906 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.823 -6.319 0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.234 -5.037 -0.656 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.593 -4.197 0.872 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -6.051 -5.064 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.295 -7.462 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.097 -7.616 0.513 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.664 -8.450 0.639 1.00 0.00 H new ATOM 973 N GLU A 99 -8.070 -8.718 3.094 1.00 0.00 N ATOM 974 CA GLU A 99 -8.844 -9.806 3.687 1.00 0.00 C ATOM 975 C GLU A 99 -8.933 -9.664 5.206 1.00 0.00 C ATOM 976 O GLU A 99 -9.980 -9.922 5.802 1.00 0.00 O ATOM 977 CB GLU A 99 -8.250 -11.169 3.318 1.00 0.00 C ATOM 978 CG GLU A 99 -6.735 -11.205 3.292 1.00 0.00 C ATOM 979 CD GLU A 99 -6.186 -12.619 3.264 1.00 0.00 C ATOM 980 OE1 GLU A 99 -6.407 -13.371 4.236 1.00 0.00 O ATOM 981 OE2 GLU A 99 -5.536 -12.995 2.264 1.00 0.00 O ATOM 0 H GLU A 99 -7.179 -9.004 2.689 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.853 -9.745 3.279 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.607 -11.912 4.031 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.625 -11.462 2.337 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -6.377 -10.663 2.417 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.348 -10.686 4.169 1.00 0.00 H new ATOM 988 N ALA A 100 -7.823 -9.285 5.828 1.00 0.00 N ATOM 989 CA ALA A 100 -7.758 -9.147 7.282 1.00 0.00 C ATOM 990 C ALA A 100 -8.654 -8.018 7.780 1.00 0.00 C ATOM 991 O ALA A 100 -9.091 -8.019 8.931 1.00 0.00 O ATOM 992 CB ALA A 100 -6.322 -8.910 7.722 1.00 0.00 C ATOM 0 H ALA A 100 -6.950 -9.066 5.347 1.00 0.00 H new ATOM 0 HA ALA A 100 -8.120 -10.077 7.721 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.286 -8.809 8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.704 -9.754 7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.946 -7.997 7.260 1.00 0.00 H new ATOM 998 N GLY A 101 -8.861 -7.022 6.932 1.00 0.00 N ATOM 999 CA GLY A 101 -9.633 -5.861 7.326 1.00 0.00 C ATOM 1000 C GLY A 101 -8.740 -4.724 7.767 1.00 0.00 C ATOM 1001 O GLY A 101 -9.070 -3.965 8.679 1.00 0.00 O ATOM 0 H GLY A 101 -8.507 -6.997 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.253 -5.535 6.491 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -10.308 -6.131 8.138 1.00 0.00 H new ATOM 1005 N ASP A 102 -7.612 -4.603 7.088 1.00 0.00 N ATOM 1006 CA ASP A 102 -6.644 -3.555 7.370 1.00 0.00 C ATOM 1007 C ASP A 102 -6.567 -2.604 6.187 1.00 0.00 C ATOM 1008 O ASP A 102 -6.695 -1.389 6.339 1.00 0.00 O ATOM 1009 CB ASP A 102 -5.274 -4.172 7.637 1.00 0.00 C ATOM 1010 CG ASP A 102 -4.283 -3.179 8.185 1.00 0.00 C ATOM 1011 OD1 ASP A 102 -4.557 -2.576 9.243 1.00 0.00 O ATOM 1012 OD2 ASP A 102 -3.208 -3.037 7.581 1.00 0.00 O ATOM 0 H ASP A 102 -7.341 -5.226 6.327 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.958 -3.001 8.255 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -5.383 -4.996 8.342 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -4.884 -4.594 6.711 1.00 0.00 H new ATOM 1017 N PHE A 103 -6.571 -3.181 4.992 1.00 0.00 N ATOM 1018 CA PHE A 103 -6.700 -2.390 3.777 1.00 0.00 C ATOM 1019 C PHE A 103 -8.016 -2.736 3.100 1.00 0.00 C ATOM 1020 O PHE A 103 -8.731 -3.633 3.551 1.00 0.00 O ATOM 1021 CB PHE A 103 -5.535 -2.630 2.808 1.00 0.00 C ATOM 1022 CG PHE A 103 -4.178 -2.651 3.446 1.00 0.00 C ATOM 1023 CD1 PHE A 103 -3.627 -1.502 3.988 1.00 0.00 C ATOM 1024 CD2 PHE A 103 -3.440 -3.817 3.475 1.00 0.00 C ATOM 1025 CE1 PHE A 103 -2.369 -1.525 4.557 1.00 0.00 C ATOM 1026 CE2 PHE A 103 -2.183 -3.849 4.045 1.00 0.00 C ATOM 1027 CZ PHE A 103 -1.645 -2.701 4.585 1.00 0.00 C ATOM 0 H PHE A 103 -6.487 -4.186 4.839 1.00 0.00 H new ATOM 0 HA PHE A 103 -6.680 -1.336 4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.695 -3.580 2.298 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.550 -1.852 2.045 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.187 -0.579 3.965 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -3.852 -4.718 3.045 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -1.951 -0.623 4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -1.622 -4.772 4.068 1.00 0.00 H new ATOM 0 HZ PHE A 103 -0.661 -2.721 5.029 1.00 0.00 H new ATOM 1037 N GLU A 104 -8.365 -1.986 2.072 1.00 0.00 N ATOM 1038 CA GLU A 104 -9.639 -2.166 1.397 1.00 0.00 C ATOM 1039 C GLU A 104 -9.509 -1.691 -0.052 1.00 0.00 C ATOM 1040 O GLU A 104 -8.877 -0.673 -0.315 1.00 0.00 O ATOM 1041 CB GLU A 104 -10.709 -1.361 2.148 1.00 0.00 C ATOM 1042 CG GLU A 104 -12.123 -1.931 2.082 1.00 0.00 C ATOM 1043 CD GLU A 104 -12.774 -1.776 0.724 1.00 0.00 C ATOM 1044 OE1 GLU A 104 -13.375 -0.706 0.479 1.00 0.00 O ATOM 1045 OE2 GLU A 104 -12.662 -2.703 -0.103 1.00 0.00 O ATOM 0 H GLU A 104 -7.783 -1.244 1.684 1.00 0.00 H new ATOM 0 HA GLU A 104 -9.929 -3.217 1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.414 -1.285 3.195 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -10.725 -0.347 1.747 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -12.092 -2.989 2.343 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.741 -1.436 2.831 1.00 0.00 H new ATOM 1052 N GLN A 105 -10.049 -2.458 -0.980 1.00 0.00 N ATOM 1053 CA GLN A 105 -9.985 -2.114 -2.393 1.00 0.00 C ATOM 1054 C GLN A 105 -11.387 -2.015 -2.985 1.00 0.00 C ATOM 1055 O GLN A 105 -12.033 -3.032 -3.240 1.00 0.00 O ATOM 1056 CB GLN A 105 -9.188 -3.164 -3.165 1.00 0.00 C ATOM 1057 CG GLN A 105 -7.711 -3.209 -2.821 1.00 0.00 C ATOM 1058 CD GLN A 105 -7.005 -4.361 -3.505 1.00 0.00 C ATOM 1059 OE1 GLN A 105 -7.238 -5.526 -3.185 1.00 0.00 O ATOM 1060 NE2 GLN A 105 -6.150 -4.045 -4.462 1.00 0.00 N ATOM 0 H GLN A 105 -10.541 -3.329 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.488 -1.148 -2.480 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.623 -4.145 -2.974 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.294 -2.970 -4.232 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.241 -2.270 -3.115 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.593 -3.301 -1.741 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.986 -3.066 -4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -5.654 -4.780 -4.966 1.00 0.00 H new ATOM 1069 N PRO A 106 -11.860 -0.790 -3.244 1.00 0.00 N ATOM 1070 CA PRO A 106 -13.180 -0.557 -3.835 1.00 0.00 C ATOM 1071 C PRO A 106 -13.295 -1.167 -5.230 1.00 0.00 C ATOM 1072 O PRO A 106 -14.338 -1.702 -5.603 1.00 0.00 O ATOM 1073 CB PRO A 106 -13.290 0.971 -3.902 1.00 0.00 C ATOM 1074 CG PRO A 106 -11.886 1.467 -3.826 1.00 0.00 C ATOM 1075 CD PRO A 106 -11.140 0.466 -2.990 1.00 0.00 C ATOM 0 HA PRO A 106 -13.976 -1.019 -3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -13.771 1.291 -4.826 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -13.890 1.359 -3.079 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.447 1.550 -4.820 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.846 2.459 -3.376 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -10.093 0.396 -3.285 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -11.156 0.733 -1.933 1.00 0.00 H new ATOM 1083 N LYS A 107 -12.200 -1.122 -5.983 1.00 0.00 N ATOM 1084 CA LYS A 107 -12.171 -1.692 -7.325 1.00 0.00 C ATOM 1085 C LYS A 107 -11.696 -3.143 -7.295 1.00 0.00 C ATOM 1086 O LYS A 107 -11.358 -3.715 -8.330 1.00 0.00 O ATOM 1087 CB LYS A 107 -11.266 -0.859 -8.236 1.00 0.00 C ATOM 1088 CG LYS A 107 -11.759 0.563 -8.444 1.00 0.00 C ATOM 1089 CD LYS A 107 -10.830 1.349 -9.353 1.00 0.00 C ATOM 1090 CE LYS A 107 -11.348 2.759 -9.592 1.00 0.00 C ATOM 1091 NZ LYS A 107 -10.421 3.563 -10.430 1.00 0.00 N ATOM 0 H LYS A 107 -11.322 -0.697 -5.686 1.00 0.00 H new ATOM 0 HA LYS A 107 -13.186 -1.675 -7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -10.263 -0.829 -7.809 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -11.186 -1.353 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -12.760 0.542 -8.876 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -11.838 1.066 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -9.836 1.396 -8.907 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -10.728 0.831 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -12.323 2.709 -10.077 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -11.494 3.258 -8.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.815 4.516 -10.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -9.498 3.634 -9.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.301 3.102 -11.355 1.00 0.00 H new ATOM 1105 N GLY A 108 -11.719 -3.741 -6.111 1.00 0.00 N ATOM 1106 CA GLY A 108 -11.323 -5.127 -5.959 1.00 0.00 C ATOM 1107 C GLY A 108 -9.874 -5.373 -6.335 1.00 0.00 C ATOM 1108 O GLY A 108 -9.019 -4.510 -6.121 1.00 0.00 O ATOM 0 H GLY A 108 -12.008 -3.285 -5.245 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.482 -5.433 -4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -11.965 -5.753 -6.579 1.00 0.00 H new ATOM 1112 N PRO A 109 -9.565 -6.555 -6.890 1.00 0.00 N ATOM 1113 CA PRO A 109 -8.201 -6.927 -7.276 1.00 0.00 C ATOM 1114 C PRO A 109 -7.598 -5.961 -8.288 1.00 0.00 C ATOM 1115 O PRO A 109 -8.257 -5.567 -9.254 1.00 0.00 O ATOM 1116 CB PRO A 109 -8.362 -8.314 -7.900 1.00 0.00 C ATOM 1117 CG PRO A 109 -9.640 -8.837 -7.343 1.00 0.00 C ATOM 1118 CD PRO A 109 -10.525 -7.638 -7.163 1.00 0.00 C ATOM 0 HA PRO A 109 -7.525 -6.907 -6.421 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -8.399 -8.256 -8.988 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -7.524 -8.963 -7.644 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -10.094 -9.561 -8.019 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.474 -9.347 -6.394 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -11.118 -7.436 -8.055 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.225 -7.774 -6.339 1.00 0.00 H new ATOM 1126 N ALA A 110 -6.355 -5.567 -8.025 1.00 0.00 N ATOM 1127 CA ALA A 110 -5.624 -4.624 -8.865 1.00 0.00 C ATOM 1128 C ALA A 110 -6.326 -3.271 -8.911 1.00 0.00 C ATOM 1129 O ALA A 110 -6.215 -2.527 -9.886 1.00 0.00 O ATOM 1130 CB ALA A 110 -5.426 -5.189 -10.265 1.00 0.00 C ATOM 0 H ALA A 110 -5.824 -5.895 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.640 -4.470 -8.422 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.879 -4.469 -10.874 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.860 -6.119 -10.206 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -6.397 -5.384 -10.719 1.00 0.00 H new ATOM 1136 N GLY A 111 -7.002 -2.940 -7.822 1.00 0.00 N ATOM 1137 CA GLY A 111 -7.671 -1.664 -7.717 1.00 0.00 C ATOM 1138 C GLY A 111 -7.061 -0.805 -6.636 1.00 0.00 C ATOM 1139 O GLY A 111 -6.358 -1.318 -5.758 1.00 0.00 O ATOM 0 H GLY A 111 -7.099 -3.540 -7.003 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.614 -1.143 -8.673 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.728 -1.823 -7.503 1.00 0.00 H new ATOM 1143 N ALA A 112 -7.302 0.501 -6.714 1.00 0.00 N ATOM 1144 CA ALA A 112 -6.772 1.447 -5.738 1.00 0.00 C ATOM 1145 C ALA A 112 -7.173 1.049 -4.323 1.00 0.00 C ATOM 1146 O ALA A 112 -8.334 0.742 -4.060 1.00 0.00 O ATOM 1147 CB ALA A 112 -7.259 2.856 -6.045 1.00 0.00 C ATOM 0 H ALA A 112 -7.865 0.930 -7.449 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.684 1.429 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -6.855 3.549 -5.308 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -6.924 3.148 -7.040 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.348 2.881 -6.007 1.00 0.00 H new ATOM 1153 N VAL A 113 -6.193 1.022 -3.435 1.00 0.00 N ATOM 1154 CA VAL A 113 -6.417 0.637 -2.051 1.00 0.00 C ATOM 1155 C VAL A 113 -6.760 1.852 -1.211 1.00 0.00 C ATOM 1156 O VAL A 113 -6.401 2.977 -1.547 1.00 0.00 O ATOM 1157 CB VAL A 113 -5.178 -0.062 -1.448 1.00 0.00 C ATOM 1158 CG1 VAL A 113 -5.491 -0.670 -0.083 1.00 0.00 C ATOM 1159 CG2 VAL A 113 -4.667 -1.123 -2.396 1.00 0.00 C ATOM 0 H VAL A 113 -5.226 1.265 -3.651 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.251 -0.064 -2.042 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.402 0.690 -1.305 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.598 -1.154 0.313 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.811 0.116 0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -6.287 -1.407 -0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.794 -1.609 -1.961 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.448 -1.864 -2.567 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.391 -0.661 -3.344 1.00 0.00 H new ATOM 1169 N LYS A 114 -7.449 1.611 -0.118 1.00 0.00 N ATOM 1170 CA LYS A 114 -7.800 2.650 0.816 1.00 0.00 C ATOM 1171 C LYS A 114 -7.945 2.064 2.196 1.00 0.00 C ATOM 1172 O LYS A 114 -8.377 0.923 2.343 1.00 0.00 O ATOM 1173 CB LYS A 114 -9.076 3.362 0.380 1.00 0.00 C ATOM 1174 CG LYS A 114 -10.037 2.504 -0.427 1.00 0.00 C ATOM 1175 CD LYS A 114 -10.963 1.673 0.448 1.00 0.00 C ATOM 1176 CE LYS A 114 -12.099 2.504 1.017 1.00 0.00 C ATOM 1177 NZ LYS A 114 -13.105 1.660 1.712 1.00 0.00 N ATOM 0 H LYS A 114 -7.782 0.684 0.146 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.003 3.394 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.593 3.727 1.267 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -8.804 4.235 -0.213 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.635 3.146 -1.073 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.466 1.840 -1.077 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -11.373 0.849 -0.137 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -10.392 1.231 1.264 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -11.698 3.240 1.714 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -12.583 3.058 0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.017 2.160 1.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -13.219 0.762 1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.785 1.466 2.682 1.00 0.00 H new ATOM 1191 N LEU A 115 -7.403 2.768 3.179 1.00 0.00 N ATOM 1192 CA LEU A 115 -7.365 2.266 4.536 1.00 0.00 C ATOM 1193 C LEU A 115 -8.749 1.805 4.982 1.00 0.00 C ATOM 1194 O LEU A 115 -9.716 2.566 4.911 1.00 0.00 O ATOM 1195 CB LEU A 115 -6.877 3.371 5.468 1.00 0.00 C ATOM 1196 CG LEU A 115 -5.630 3.049 6.283 1.00 0.00 C ATOM 1197 CD1 LEU A 115 -5.896 1.923 7.268 1.00 0.00 C ATOM 1198 CD2 LEU A 115 -4.480 2.688 5.369 1.00 0.00 C ATOM 0 H LEU A 115 -6.984 3.690 3.057 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.685 1.415 4.574 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -6.678 4.262 4.872 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.684 3.622 6.157 1.00 0.00 H new ATOM 0 HG LEU A 115 -5.360 3.939 6.851 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.989 1.714 7.836 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -6.692 2.218 7.951 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -6.198 1.028 6.724 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -3.597 2.461 5.967 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -4.749 1.816 4.773 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -4.264 3.527 4.707 1.00 0.00 H new ATOM 1210 N ALA A 116 -8.833 0.575 5.471 1.00 0.00 N ATOM 1211 CA ALA A 116 -10.092 0.059 5.984 1.00 0.00 C ATOM 1212 C ALA A 116 -10.447 0.764 7.284 1.00 0.00 C ATOM 1213 O ALA A 116 -9.613 0.872 8.187 1.00 0.00 O ATOM 1214 CB ALA A 116 -10.023 -1.445 6.195 1.00 0.00 C ATOM 0 H ALA A 116 -8.051 -0.078 5.523 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.871 0.255 5.247 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.978 -1.803 6.579 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.807 -1.936 5.246 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.235 -1.676 6.911 1.00 0.00 H new