USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=13 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 40:sc= 0.238 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 60:sc= 0.0524 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0119) USER MOD Single : A 64 SER OG : rot -120:sc= -1.27 USER MOD Single : A 65 SER OG : rot 180:sc= 0.00117 USER MOD Single : A 70 LYS NZ :NH3+ 152:sc= 1.17 (180deg=-0.48!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.929 K(o=0.93,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.239 K(o=-0.24,f=-1.8) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.00487 X(o=0.0049,f=-0.23) USER MOD Single : A 92 ASN : amide:sc= -0.223 X(o=-0.22,f=-0.22) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.34 K(o=0.34,f=-0.87) USER MOD Single : A 107 LYS NZ :NH3+ -169:sc= -0.0104 (180deg=-0.159) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 76 N SER A 44 13.659 -4.444 7.311 1.00 0.00 N ATOM 77 CA SER A 44 12.661 -5.009 8.204 1.00 0.00 C ATOM 78 C SER A 44 11.605 -3.967 8.573 1.00 0.00 C ATOM 79 O SER A 44 11.142 -3.908 9.713 1.00 0.00 O ATOM 80 CB SER A 44 13.345 -5.545 9.457 1.00 0.00 C ATOM 81 OG SER A 44 14.462 -6.349 9.116 1.00 0.00 O ATOM 0 HA SER A 44 12.155 -5.828 7.693 1.00 0.00 H new ATOM 0 HB2 SER A 44 13.667 -4.714 10.084 1.00 0.00 H new ATOM 0 HB3 SER A 44 12.635 -6.130 10.042 1.00 0.00 H new ATOM 0 HG SER A 44 14.940 -5.943 8.363 1.00 0.00 H new ATOM 87 N LYS A 45 11.188 -3.190 7.585 1.00 0.00 N ATOM 88 CA LYS A 45 10.131 -2.212 7.776 1.00 0.00 C ATOM 89 C LYS A 45 8.790 -2.879 7.522 1.00 0.00 C ATOM 90 O LYS A 45 8.558 -3.412 6.434 1.00 0.00 O ATOM 91 CB LYS A 45 10.304 -1.034 6.812 1.00 0.00 C ATOM 92 CG LYS A 45 11.723 -0.491 6.728 1.00 0.00 C ATOM 93 CD LYS A 45 12.169 0.143 8.033 1.00 0.00 C ATOM 94 CE LYS A 45 13.600 0.647 7.939 1.00 0.00 C ATOM 95 NZ LYS A 45 14.038 1.314 9.192 1.00 0.00 N ATOM 0 H LYS A 45 11.568 -3.219 6.639 1.00 0.00 H new ATOM 0 HA LYS A 45 10.177 -1.834 8.797 1.00 0.00 H new ATOM 0 HB2 LYS A 45 9.988 -1.346 5.816 1.00 0.00 H new ATOM 0 HB3 LYS A 45 9.638 -0.228 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 45 12.405 -1.300 6.466 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.782 0.247 5.928 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.505 0.970 8.284 1.00 0.00 H new ATOM 0 HD3 LYS A 45 12.090 -0.585 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 45 14.265 -0.189 7.721 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.684 1.346 7.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 15.019 1.643 9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 13.420 2.127 9.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.983 0.640 9.982 1.00 0.00 H new ATOM 109 N SER A 46 7.921 -2.877 8.518 1.00 0.00 N ATOM 110 CA SER A 46 6.614 -3.492 8.366 1.00 0.00 C ATOM 111 C SER A 46 5.778 -2.702 7.367 1.00 0.00 C ATOM 112 O SER A 46 5.603 -1.491 7.501 1.00 0.00 O ATOM 113 CB SER A 46 5.910 -3.588 9.718 1.00 0.00 C ATOM 114 OG SER A 46 6.671 -4.380 10.619 1.00 0.00 O ATOM 0 H SER A 46 8.094 -2.460 9.433 1.00 0.00 H new ATOM 0 HA SER A 46 6.740 -4.504 7.981 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.768 -2.590 10.132 1.00 0.00 H new ATOM 0 HB3 SER A 46 4.919 -4.024 9.589 1.00 0.00 H new ATOM 0 HG SER A 46 6.208 -4.431 11.481 1.00 0.00 H new ATOM 120 N TYR A 47 5.344 -3.384 6.318 1.00 0.00 N ATOM 121 CA TYR A 47 4.620 -2.743 5.231 1.00 0.00 C ATOM 122 C TYR A 47 3.303 -2.162 5.716 1.00 0.00 C ATOM 123 O TYR A 47 2.798 -1.213 5.138 1.00 0.00 O ATOM 124 CB TYR A 47 4.382 -3.726 4.082 1.00 0.00 C ATOM 125 CG TYR A 47 5.639 -4.061 3.309 1.00 0.00 C ATOM 126 CD1 TYR A 47 6.719 -4.669 3.934 1.00 0.00 C ATOM 127 CD2 TYR A 47 5.751 -3.753 1.961 1.00 0.00 C ATOM 128 CE1 TYR A 47 7.872 -4.960 3.239 1.00 0.00 C ATOM 129 CE2 TYR A 47 6.901 -4.045 1.258 1.00 0.00 C ATOM 130 CZ TYR A 47 7.959 -4.647 1.902 1.00 0.00 C ATOM 131 OH TYR A 47 9.112 -4.936 1.209 1.00 0.00 O ATOM 0 H TYR A 47 5.482 -4.387 6.196 1.00 0.00 H new ATOM 0 HA TYR A 47 5.235 -1.923 4.861 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.955 -4.645 4.483 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.646 -3.303 3.399 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.654 -4.918 4.983 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.925 -3.277 1.454 1.00 0.00 H new ATOM 0 HE1 TYR A 47 8.704 -5.432 3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 47 6.971 -3.803 0.208 1.00 0.00 H new ATOM 0 HH TYR A 47 9.283 -5.900 1.246 1.00 0.00 H new ATOM 141 N ARG A 48 2.787 -2.696 6.810 1.00 0.00 N ATOM 142 CA ARG A 48 1.556 -2.191 7.401 1.00 0.00 C ATOM 143 C ARG A 48 1.706 -0.720 7.790 1.00 0.00 C ATOM 144 O ARG A 48 0.804 0.084 7.565 1.00 0.00 O ATOM 145 CB ARG A 48 1.180 -3.024 8.626 1.00 0.00 C ATOM 146 CG ARG A 48 -0.120 -2.593 9.279 1.00 0.00 C ATOM 147 CD ARG A 48 -0.554 -3.580 10.345 1.00 0.00 C ATOM 148 NE ARG A 48 -1.821 -3.197 10.965 1.00 0.00 N ATOM 149 CZ ARG A 48 -1.949 -2.273 11.921 1.00 0.00 C ATOM 150 NH1 ARG A 48 -0.881 -1.626 12.387 1.00 0.00 N ATOM 151 NH2 ARG A 48 -3.150 -1.995 12.416 1.00 0.00 N ATOM 0 H ARG A 48 3.202 -3.482 7.310 1.00 0.00 H new ATOM 0 HA ARG A 48 0.761 -2.271 6.660 1.00 0.00 H new ATOM 0 HB2 ARG A 48 1.100 -4.071 8.332 1.00 0.00 H new ATOM 0 HB3 ARG A 48 1.984 -2.960 9.359 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.004 -1.605 9.723 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -0.899 -2.507 8.521 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.652 -4.571 9.902 1.00 0.00 H new ATOM 0 HD3 ARG A 48 0.218 -3.648 11.111 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.667 -3.669 10.645 1.00 0.00 H new ATOM 0 HH11 ARG A 48 0.045 -1.835 12.013 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -0.990 -0.922 13.117 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -3.972 -2.487 12.066 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.250 -1.290 13.146 1.00 0.00 H new ATOM 165 N GLU A 49 2.886 -0.364 8.287 1.00 0.00 N ATOM 166 CA GLU A 49 3.179 1.015 8.643 1.00 0.00 C ATOM 167 C GLU A 49 3.341 1.839 7.378 1.00 0.00 C ATOM 168 O GLU A 49 2.691 2.865 7.205 1.00 0.00 O ATOM 169 CB GLU A 49 4.461 1.094 9.479 1.00 0.00 C ATOM 170 CG GLU A 49 4.707 -0.136 10.334 1.00 0.00 C ATOM 171 CD GLU A 49 5.797 0.065 11.371 1.00 0.00 C ATOM 172 OE1 GLU A 49 6.958 0.299 10.986 1.00 0.00 O ATOM 173 OE2 GLU A 49 5.490 -0.015 12.581 1.00 0.00 O ATOM 0 H GLU A 49 3.654 -1.014 8.452 1.00 0.00 H new ATOM 0 HA GLU A 49 2.353 1.409 9.236 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.311 1.238 8.812 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.410 1.971 10.125 1.00 0.00 H new ATOM 0 HG2 GLU A 49 3.781 -0.411 10.839 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.978 -0.971 9.688 1.00 0.00 H new ATOM 180 N LEU A 50 4.177 1.330 6.479 1.00 0.00 N ATOM 181 CA LEU A 50 4.455 1.972 5.196 1.00 0.00 C ATOM 182 C LEU A 50 3.174 2.258 4.422 1.00 0.00 C ATOM 183 O LEU A 50 2.954 3.374 3.947 1.00 0.00 O ATOM 184 CB LEU A 50 5.349 1.052 4.360 1.00 0.00 C ATOM 185 CG LEU A 50 6.862 1.129 4.615 1.00 0.00 C ATOM 186 CD1 LEU A 50 7.185 1.334 6.083 1.00 0.00 C ATOM 187 CD2 LEU A 50 7.520 -0.149 4.132 1.00 0.00 C ATOM 0 H LEU A 50 4.684 0.456 6.619 1.00 0.00 H new ATOM 0 HA LEU A 50 4.953 2.922 5.392 1.00 0.00 H new ATOM 0 HB2 LEU A 50 5.029 0.024 4.529 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.171 1.272 3.307 1.00 0.00 H new ATOM 0 HG LEU A 50 7.246 1.989 4.066 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.266 1.382 6.214 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.736 2.265 6.428 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.786 0.502 6.663 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.594 -0.096 4.312 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.103 -0.999 4.672 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.337 -0.272 3.065 1.00 0.00 H new ATOM 199 N ILE A 51 2.362 1.225 4.260 1.00 0.00 N ATOM 200 CA ILE A 51 1.133 1.323 3.498 1.00 0.00 C ATOM 201 C ILE A 51 0.158 2.282 4.148 1.00 0.00 C ATOM 202 O ILE A 51 -0.320 3.191 3.497 1.00 0.00 O ATOM 203 CB ILE A 51 0.463 -0.054 3.328 1.00 0.00 C ATOM 204 CG1 ILE A 51 1.337 -0.950 2.453 1.00 0.00 C ATOM 205 CG2 ILE A 51 -0.933 0.085 2.733 1.00 0.00 C ATOM 206 CD1 ILE A 51 0.779 -2.336 2.264 1.00 0.00 C ATOM 0 H ILE A 51 2.538 0.300 4.652 1.00 0.00 H new ATOM 0 HA ILE A 51 1.402 1.705 2.513 1.00 0.00 H new ATOM 0 HB ILE A 51 0.358 -0.513 4.311 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.461 -0.481 1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.329 -1.024 2.899 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.382 -0.902 2.624 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -1.551 0.694 3.393 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.866 0.563 1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.452 -2.916 1.632 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.681 -2.824 3.234 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.200 -2.272 1.789 1.00 0.00 H new ATOM 218 N ILE A 52 -0.130 2.079 5.425 1.00 0.00 N ATOM 219 CA ILE A 52 -1.094 2.923 6.118 1.00 0.00 C ATOM 220 C ILE A 52 -0.644 4.378 6.158 1.00 0.00 C ATOM 221 O ILE A 52 -1.431 5.278 5.862 1.00 0.00 O ATOM 222 CB ILE A 52 -1.373 2.426 7.544 1.00 0.00 C ATOM 223 CG1 ILE A 52 -2.188 1.130 7.488 1.00 0.00 C ATOM 224 CG2 ILE A 52 -2.105 3.501 8.330 1.00 0.00 C ATOM 225 CD1 ILE A 52 -2.457 0.511 8.840 1.00 0.00 C ATOM 0 H ILE A 52 0.285 1.345 5.999 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.020 2.861 5.546 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.431 2.216 8.051 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.140 1.333 6.998 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.658 0.407 6.868 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.300 3.143 9.341 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.491 4.400 8.376 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -3.050 3.732 7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -3.039 -0.402 8.713 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.511 0.274 9.326 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.016 1.214 9.457 1.00 0.00 H new ATOM 237 N GLU A 53 0.629 4.601 6.471 1.00 0.00 N ATOM 238 CA GLU A 53 1.188 5.949 6.499 1.00 0.00 C ATOM 239 C GLU A 53 0.950 6.651 5.175 1.00 0.00 C ATOM 240 O GLU A 53 0.462 7.781 5.141 1.00 0.00 O ATOM 241 CB GLU A 53 2.681 5.900 6.800 1.00 0.00 C ATOM 242 CG GLU A 53 2.998 5.775 8.278 1.00 0.00 C ATOM 243 CD GLU A 53 2.605 6.995 9.088 1.00 0.00 C ATOM 244 OE1 GLU A 53 2.390 8.062 8.473 1.00 0.00 O ATOM 245 OE2 GLU A 53 2.469 6.890 10.325 1.00 0.00 O ATOM 0 H GLU A 53 1.294 3.865 6.709 1.00 0.00 H new ATOM 0 HA GLU A 53 0.688 6.510 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 53 3.123 5.056 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.152 6.803 6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.483 4.902 8.679 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.067 5.598 8.398 1.00 0.00 H new ATOM 252 N GLY A 54 1.185 5.933 4.090 1.00 0.00 N ATOM 253 CA GLY A 54 0.861 6.465 2.795 1.00 0.00 C ATOM 254 C GLY A 54 -0.618 6.554 2.602 1.00 0.00 C ATOM 255 O GLY A 54 -1.146 7.634 2.399 1.00 0.00 O ATOM 0 H GLY A 54 1.592 4.998 4.087 1.00 0.00 H new ATOM 0 HA2 GLY A 54 1.305 7.454 2.684 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.294 5.832 2.020 1.00 0.00 H new ATOM 259 N LEU A 55 -1.256 5.396 2.616 1.00 0.00 N ATOM 260 CA LEU A 55 -2.680 5.236 2.349 1.00 0.00 C ATOM 261 C LEU A 55 -3.529 6.336 2.988 1.00 0.00 C ATOM 262 O LEU A 55 -4.437 6.875 2.360 1.00 0.00 O ATOM 263 CB LEU A 55 -3.106 3.863 2.869 1.00 0.00 C ATOM 264 CG LEU A 55 -4.446 3.340 2.373 1.00 0.00 C ATOM 265 CD1 LEU A 55 -4.507 3.384 0.863 1.00 0.00 C ATOM 266 CD2 LEU A 55 -4.658 1.920 2.863 1.00 0.00 C ATOM 0 H LEU A 55 -0.786 4.514 2.819 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.843 5.315 1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.336 3.141 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.137 3.904 3.958 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.238 3.976 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.473 3.006 0.527 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.381 4.412 0.524 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.711 2.765 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.619 1.551 2.505 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.860 1.281 2.484 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.647 1.906 3.953 1.00 0.00 H new ATOM 278 N THR A 56 -3.241 6.653 4.240 1.00 0.00 N ATOM 279 CA THR A 56 -3.993 7.661 4.970 1.00 0.00 C ATOM 280 C THR A 56 -3.654 9.067 4.467 1.00 0.00 C ATOM 281 O THR A 56 -4.434 10.011 4.617 1.00 0.00 O ATOM 282 CB THR A 56 -3.716 7.546 6.491 1.00 0.00 C ATOM 283 OG1 THR A 56 -4.740 8.214 7.240 1.00 0.00 O ATOM 284 CG2 THR A 56 -2.360 8.130 6.857 1.00 0.00 C ATOM 0 H THR A 56 -2.486 6.223 4.775 1.00 0.00 H new ATOM 0 HA THR A 56 -5.055 7.486 4.796 1.00 0.00 H new ATOM 0 HB THR A 56 -3.714 6.485 6.741 1.00 0.00 H new ATOM 0 HG1 THR A 56 -4.551 8.131 8.198 1.00 0.00 H new ATOM 0 HG21 THR A 56 -2.200 8.032 7.931 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.576 7.593 6.323 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.331 9.184 6.580 1.00 0.00 H new ATOM 292 N ALA A 57 -2.455 9.205 3.928 1.00 0.00 N ATOM 293 CA ALA A 57 -1.949 10.480 3.462 1.00 0.00 C ATOM 294 C ALA A 57 -2.331 10.770 2.007 1.00 0.00 C ATOM 295 O ALA A 57 -2.498 11.933 1.640 1.00 0.00 O ATOM 296 CB ALA A 57 -0.438 10.520 3.635 1.00 0.00 C ATOM 0 H ALA A 57 -1.803 8.430 3.802 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.412 11.260 4.066 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -0.057 11.479 3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.189 10.394 4.689 1.00 0.00 H new ATOM 0 HB3 ALA A 57 0.016 9.716 3.056 1.00 0.00 H new ATOM 302 N LEU A 58 -2.292 9.753 1.140 1.00 0.00 N ATOM 303 CA LEU A 58 -2.443 9.985 -0.286 1.00 0.00 C ATOM 304 C LEU A 58 -3.736 9.368 -0.833 1.00 0.00 C ATOM 305 O LEU A 58 -3.870 9.151 -2.042 1.00 0.00 O ATOM 306 CB LEU A 58 -1.216 9.419 -1.014 1.00 0.00 C ATOM 307 CG LEU A 58 -1.296 7.953 -1.449 1.00 0.00 C ATOM 308 CD1 LEU A 58 -0.066 7.569 -2.244 1.00 0.00 C ATOM 309 CD2 LEU A 58 -1.480 7.004 -0.291 1.00 0.00 C ATOM 0 H LEU A 58 -2.159 8.777 1.403 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.512 11.059 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.033 10.028 -1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.349 9.535 -0.363 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.182 7.864 -2.077 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.139 6.524 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.005 8.198 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 58 0.823 7.708 -1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.530 5.981 -0.663 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.639 7.100 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.405 7.245 0.233 1.00 0.00 H new ATOM 321 N LYS A 59 -4.696 9.121 0.051 1.00 0.00 N ATOM 322 CA LYS A 59 -5.977 8.542 -0.342 1.00 0.00 C ATOM 323 C LYS A 59 -6.717 9.449 -1.328 1.00 0.00 C ATOM 324 O LYS A 59 -7.480 8.972 -2.174 1.00 0.00 O ATOM 325 CB LYS A 59 -6.837 8.294 0.900 1.00 0.00 C ATOM 326 CG LYS A 59 -7.384 9.563 1.529 1.00 0.00 C ATOM 327 CD LYS A 59 -7.842 9.328 2.956 1.00 0.00 C ATOM 328 CE LYS A 59 -8.342 10.614 3.591 1.00 0.00 C ATOM 329 NZ LYS A 59 -8.741 10.423 5.009 1.00 0.00 N ATOM 0 H LYS A 59 -4.611 9.313 1.049 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.785 7.593 -0.842 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.670 7.645 0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.243 7.759 1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.616 10.336 1.516 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -8.219 9.933 0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.636 8.581 2.968 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.017 8.926 3.544 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.561 11.372 3.534 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -9.193 10.990 3.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.075 11.327 5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.504 9.719 5.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.923 10.089 5.558 1.00 0.00 H new ATOM 343 N GLU A 60 -6.507 10.759 -1.183 1.00 0.00 N ATOM 344 CA GLU A 60 -7.151 11.770 -2.020 1.00 0.00 C ATOM 345 C GLU A 60 -8.671 11.644 -1.963 1.00 0.00 C ATOM 346 O GLU A 60 -9.309 12.103 -1.015 1.00 0.00 O ATOM 347 CB GLU A 60 -6.672 11.677 -3.471 1.00 0.00 C ATOM 348 CG GLU A 60 -5.163 11.706 -3.628 1.00 0.00 C ATOM 349 CD GLU A 60 -4.733 11.788 -5.077 1.00 0.00 C ATOM 350 OE1 GLU A 60 -5.546 12.213 -5.924 1.00 0.00 O ATOM 351 OE2 GLU A 60 -3.568 11.449 -5.375 1.00 0.00 O ATOM 0 H GLU A 60 -5.882 11.149 -0.478 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.868 12.746 -1.625 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -7.055 10.756 -3.910 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -7.102 12.503 -4.038 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.761 12.561 -3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.736 10.811 -3.176 1.00 0.00 H new ATOM 358 N ARG A 61 -9.247 11.064 -3.013 1.00 0.00 N ATOM 359 CA ARG A 61 -10.692 10.922 -3.120 1.00 0.00 C ATOM 360 C ARG A 61 -11.241 9.980 -2.045 1.00 0.00 C ATOM 361 O ARG A 61 -12.322 10.217 -1.507 1.00 0.00 O ATOM 362 CB ARG A 61 -11.093 10.438 -4.530 1.00 0.00 C ATOM 363 CG ARG A 61 -10.836 8.960 -4.815 1.00 0.00 C ATOM 364 CD ARG A 61 -9.353 8.621 -4.875 1.00 0.00 C ATOM 365 NE ARG A 61 -8.679 9.231 -6.016 1.00 0.00 N ATOM 366 CZ ARG A 61 -7.364 9.140 -6.238 1.00 0.00 C ATOM 367 NH1 ARG A 61 -6.584 8.449 -5.409 1.00 0.00 N ATOM 368 NH2 ARG A 61 -6.832 9.727 -7.299 1.00 0.00 N ATOM 0 H ARG A 61 -8.729 10.683 -3.805 1.00 0.00 H new ATOM 0 HA ARG A 61 -11.134 11.905 -2.957 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -12.154 10.639 -4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.552 11.032 -5.267 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.311 8.357 -4.041 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -11.305 8.690 -5.761 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.872 8.953 -3.955 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -9.234 7.539 -4.925 1.00 0.00 H new ATOM 0 HE ARG A 61 -9.244 9.757 -6.683 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.989 7.984 -4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -5.582 8.385 -5.586 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -7.425 10.247 -7.945 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -5.829 9.659 -7.470 1.00 0.00 H new ATOM 382 N LYS A 62 -10.458 8.955 -1.693 1.00 0.00 N ATOM 383 CA LYS A 62 -10.831 7.991 -0.656 1.00 0.00 C ATOM 384 C LYS A 62 -9.805 6.861 -0.597 1.00 0.00 C ATOM 385 O LYS A 62 -9.471 6.367 0.478 1.00 0.00 O ATOM 386 CB LYS A 62 -12.239 7.405 -0.892 1.00 0.00 C ATOM 387 CG LYS A 62 -12.412 6.671 -2.218 1.00 0.00 C ATOM 388 CD LYS A 62 -13.743 5.931 -2.285 1.00 0.00 C ATOM 389 CE LYS A 62 -14.930 6.884 -2.320 1.00 0.00 C ATOM 390 NZ LYS A 62 -15.052 7.589 -3.626 1.00 0.00 N ATOM 0 H LYS A 62 -9.550 8.772 -2.119 1.00 0.00 H new ATOM 0 HA LYS A 62 -10.847 8.524 0.295 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.472 6.717 -0.079 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.967 8.215 -0.843 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.351 7.385 -3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -11.595 5.962 -2.351 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.761 5.299 -3.173 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -13.834 5.272 -1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.846 6.327 -2.124 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.827 7.619 -1.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -15.893 8.200 -3.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -14.204 8.170 -3.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -15.144 6.890 -4.391 1.00 0.00 H new ATOM 404 N GLY A 63 -9.318 6.460 -1.764 1.00 0.00 N ATOM 405 CA GLY A 63 -8.356 5.381 -1.846 1.00 0.00 C ATOM 406 C GLY A 63 -7.310 5.643 -2.908 1.00 0.00 C ATOM 407 O GLY A 63 -7.520 6.466 -3.797 1.00 0.00 O ATOM 0 H GLY A 63 -9.576 6.868 -2.663 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.869 5.253 -0.879 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.874 4.448 -2.068 1.00 0.00 H new ATOM 411 N SER A 64 -6.159 5.011 -2.771 1.00 0.00 N ATOM 412 CA SER A 64 -5.043 5.247 -3.668 1.00 0.00 C ATOM 413 C SER A 64 -4.568 3.952 -4.315 1.00 0.00 C ATOM 414 O SER A 64 -4.518 2.905 -3.666 1.00 0.00 O ATOM 415 CB SER A 64 -3.897 5.896 -2.893 1.00 0.00 C ATOM 416 OG SER A 64 -3.796 5.333 -1.597 1.00 0.00 O ATOM 0 H SER A 64 -5.972 4.324 -2.040 1.00 0.00 H new ATOM 0 HA SER A 64 -5.375 5.914 -4.463 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.960 5.755 -3.432 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.063 6.971 -2.818 1.00 0.00 H new ATOM 0 HG SER A 64 -3.917 6.036 -0.925 1.00 0.00 H new ATOM 422 N SER A 65 -4.202 4.039 -5.587 1.00 0.00 N ATOM 423 CA SER A 65 -3.680 2.901 -6.328 1.00 0.00 C ATOM 424 C SER A 65 -2.358 2.430 -5.719 1.00 0.00 C ATOM 425 O SER A 65 -1.598 3.243 -5.188 1.00 0.00 O ATOM 426 CB SER A 65 -3.480 3.298 -7.792 1.00 0.00 C ATOM 427 OG SER A 65 -4.613 3.997 -8.290 1.00 0.00 O ATOM 0 H SER A 65 -4.259 4.899 -6.132 1.00 0.00 H new ATOM 0 HA SER A 65 -4.393 2.078 -6.273 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.593 3.924 -7.885 1.00 0.00 H new ATOM 0 HB3 SER A 65 -3.305 2.406 -8.394 1.00 0.00 H new ATOM 0 HG SER A 65 -4.461 4.242 -9.227 1.00 0.00 H new ATOM 433 N ARG A 66 -2.085 1.124 -5.801 1.00 0.00 N ATOM 434 CA ARG A 66 -0.855 0.549 -5.258 1.00 0.00 C ATOM 435 C ARG A 66 0.402 1.319 -5.683 1.00 0.00 C ATOM 436 O ARG A 66 1.221 1.656 -4.833 1.00 0.00 O ATOM 437 CB ARG A 66 -0.709 -0.913 -5.669 1.00 0.00 C ATOM 438 CG ARG A 66 -1.591 -1.873 -4.895 1.00 0.00 C ATOM 439 CD ARG A 66 -2.961 -2.046 -5.536 1.00 0.00 C ATOM 440 NE ARG A 66 -3.474 -3.408 -5.366 1.00 0.00 N ATOM 441 CZ ARG A 66 -2.897 -4.491 -5.903 1.00 0.00 C ATOM 442 NH1 ARG A 66 -1.902 -4.357 -6.770 1.00 0.00 N ATOM 443 NH2 ARG A 66 -3.364 -5.701 -5.632 1.00 0.00 N ATOM 0 H ARG A 66 -2.705 0.444 -6.241 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.942 0.624 -4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -0.938 -1.004 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.332 -1.211 -5.541 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.098 -2.843 -4.830 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -1.713 -1.508 -3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -3.661 -1.336 -5.095 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.897 -1.812 -6.599 1.00 0.00 H new ATOM 0 HE ARG A 66 -4.318 -3.539 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.574 -3.427 -7.030 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.465 -5.184 -7.177 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -4.166 -5.811 -5.012 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.921 -6.523 -6.043 1.00 0.00 H new ATOM 457 N PRO A 67 0.597 1.592 -6.999 1.00 0.00 N ATOM 458 CA PRO A 67 1.780 2.312 -7.496 1.00 0.00 C ATOM 459 C PRO A 67 2.038 3.618 -6.747 1.00 0.00 C ATOM 460 O PRO A 67 3.189 4.011 -6.546 1.00 0.00 O ATOM 461 CB PRO A 67 1.447 2.601 -8.970 1.00 0.00 C ATOM 462 CG PRO A 67 -0.003 2.287 -9.118 1.00 0.00 C ATOM 463 CD PRO A 67 -0.286 1.214 -8.114 1.00 0.00 C ATOM 0 HA PRO A 67 2.687 1.723 -7.358 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.651 3.642 -9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 67 2.052 1.987 -9.637 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.616 3.169 -8.933 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.230 1.948 -10.129 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -1.335 1.201 -7.817 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.052 0.222 -8.501 1.00 0.00 H new ATOM 471 N ALA A 68 0.965 4.270 -6.315 1.00 0.00 N ATOM 472 CA ALA A 68 1.074 5.512 -5.565 1.00 0.00 C ATOM 473 C ALA A 68 1.752 5.278 -4.217 1.00 0.00 C ATOM 474 O ALA A 68 2.703 5.977 -3.861 1.00 0.00 O ATOM 475 CB ALA A 68 -0.302 6.132 -5.376 1.00 0.00 C ATOM 0 H ALA A 68 0.007 3.957 -6.473 1.00 0.00 H new ATOM 0 HA ALA A 68 1.694 6.205 -6.134 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -0.208 7.061 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.744 6.341 -6.350 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -0.941 5.439 -4.829 1.00 0.00 H new ATOM 481 N LEU A 69 1.295 4.260 -3.491 1.00 0.00 N ATOM 482 CA LEU A 69 1.887 3.912 -2.206 1.00 0.00 C ATOM 483 C LEU A 69 3.320 3.427 -2.383 1.00 0.00 C ATOM 484 O LEU A 69 4.194 3.770 -1.593 1.00 0.00 O ATOM 485 CB LEU A 69 1.068 2.848 -1.477 1.00 0.00 C ATOM 486 CG LEU A 69 -0.281 3.318 -0.938 1.00 0.00 C ATOM 487 CD1 LEU A 69 -1.321 3.359 -2.037 1.00 0.00 C ATOM 488 CD2 LEU A 69 -0.735 2.429 0.202 1.00 0.00 C ATOM 0 H LEU A 69 0.517 3.663 -3.772 1.00 0.00 H new ATOM 0 HA LEU A 69 1.889 4.817 -1.598 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.898 2.014 -2.158 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.659 2.465 -0.645 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.160 4.332 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.272 3.697 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.998 4.048 -2.818 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -1.443 2.362 -2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.698 2.778 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.834 1.403 -0.153 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.000 2.465 1.006 1.00 0.00 H new ATOM 500 N LYS A 70 3.561 2.665 -3.449 1.00 0.00 N ATOM 501 CA LYS A 70 4.905 2.181 -3.752 1.00 0.00 C ATOM 502 C LYS A 70 5.863 3.356 -3.904 1.00 0.00 C ATOM 503 O LYS A 70 6.977 3.339 -3.385 1.00 0.00 O ATOM 504 CB LYS A 70 4.920 1.355 -5.041 1.00 0.00 C ATOM 505 CG LYS A 70 3.934 0.197 -5.070 1.00 0.00 C ATOM 506 CD LYS A 70 4.113 -0.621 -6.339 1.00 0.00 C ATOM 507 CE LYS A 70 3.157 -1.797 -6.398 1.00 0.00 C ATOM 508 NZ LYS A 70 3.326 -2.567 -7.655 1.00 0.00 N ATOM 0 H LYS A 70 2.846 2.371 -4.114 1.00 0.00 H new ATOM 0 HA LYS A 70 5.223 1.546 -2.925 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.707 2.016 -5.881 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.925 0.961 -5.192 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.083 -0.438 -4.197 1.00 0.00 H new ATOM 0 HG3 LYS A 70 2.914 0.578 -5.016 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.955 0.018 -7.208 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.139 -0.985 -6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.328 -2.451 -5.543 1.00 0.00 H new ATOM 0 HE3 LYS A 70 2.130 -1.438 -6.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.056 -3.558 -7.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 2.721 -2.159 -8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.320 -2.524 -7.958 1.00 0.00 H new ATOM 522 N LYS A 71 5.373 4.412 -4.545 1.00 0.00 N ATOM 523 CA LYS A 71 6.138 5.638 -4.719 1.00 0.00 C ATOM 524 C LYS A 71 6.408 6.280 -3.375 1.00 0.00 C ATOM 525 O LYS A 71 7.553 6.578 -3.029 1.00 0.00 O ATOM 526 CB LYS A 71 5.356 6.610 -5.602 1.00 0.00 C ATOM 527 CG LYS A 71 6.005 7.977 -5.728 1.00 0.00 C ATOM 528 CD LYS A 71 5.110 8.955 -6.467 1.00 0.00 C ATOM 529 CE LYS A 71 5.728 10.342 -6.498 1.00 0.00 C ATOM 530 NZ LYS A 71 4.780 11.374 -6.993 1.00 0.00 N ATOM 0 H LYS A 71 4.440 4.441 -4.956 1.00 0.00 H new ATOM 0 HA LYS A 71 7.089 5.397 -5.195 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.247 6.176 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.352 6.730 -5.194 1.00 0.00 H new ATOM 0 HG2 LYS A 71 6.229 8.367 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.954 7.882 -6.255 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.945 8.604 -7.486 1.00 0.00 H new ATOM 0 HD3 LYS A 71 4.135 8.998 -5.982 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.062 10.610 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 71 6.612 10.329 -7.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.248 12.303 -6.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.480 11.135 -7.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.947 11.408 -6.371 1.00 0.00 H new ATOM 544 N PHE A 72 5.337 6.447 -2.616 1.00 0.00 N ATOM 545 CA PHE A 72 5.406 7.026 -1.285 1.00 0.00 C ATOM 546 C PHE A 72 6.439 6.297 -0.428 1.00 0.00 C ATOM 547 O PHE A 72 7.212 6.922 0.303 1.00 0.00 O ATOM 548 CB PHE A 72 4.032 6.943 -0.614 1.00 0.00 C ATOM 549 CG PHE A 72 4.005 7.502 0.778 1.00 0.00 C ATOM 550 CD1 PHE A 72 3.827 8.858 0.988 1.00 0.00 C ATOM 551 CD2 PHE A 72 4.161 6.671 1.872 1.00 0.00 C ATOM 552 CE1 PHE A 72 3.798 9.377 2.269 1.00 0.00 C ATOM 553 CE2 PHE A 72 4.136 7.183 3.156 1.00 0.00 C ATOM 554 CZ PHE A 72 3.955 8.536 3.356 1.00 0.00 C ATOM 0 H PHE A 72 4.395 6.185 -2.906 1.00 0.00 H new ATOM 0 HA PHE A 72 5.707 8.069 -1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 72 3.306 7.479 -1.225 1.00 0.00 H new ATOM 0 HB3 PHE A 72 3.715 5.901 -0.583 1.00 0.00 H new ATOM 0 HD1 PHE A 72 3.709 9.518 0.142 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.304 5.611 1.722 1.00 0.00 H new ATOM 0 HE1 PHE A 72 3.653 10.436 2.421 1.00 0.00 H new ATOM 0 HE2 PHE A 72 4.258 6.524 4.003 1.00 0.00 H new ATOM 0 HZ PHE A 72 3.936 8.937 4.358 1.00 0.00 H new ATOM 564 N ILE A 73 6.423 4.974 -0.495 1.00 0.00 N ATOM 565 CA ILE A 73 7.324 4.162 0.304 1.00 0.00 C ATOM 566 C ILE A 73 8.773 4.337 -0.138 1.00 0.00 C ATOM 567 O ILE A 73 9.648 4.526 0.694 1.00 0.00 O ATOM 568 CB ILE A 73 6.946 2.668 0.259 1.00 0.00 C ATOM 569 CG1 ILE A 73 5.542 2.459 0.836 1.00 0.00 C ATOM 570 CG2 ILE A 73 7.966 1.842 1.030 1.00 0.00 C ATOM 571 CD1 ILE A 73 5.051 1.031 0.745 1.00 0.00 C ATOM 0 H ILE A 73 5.794 4.441 -1.096 1.00 0.00 H new ATOM 0 HA ILE A 73 7.224 4.511 1.332 1.00 0.00 H new ATOM 0 HB ILE A 73 6.947 2.338 -0.780 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.539 2.768 1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.842 3.108 0.309 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.687 0.789 0.990 1.00 0.00 H new ATOM 0 HG22 ILE A 73 8.952 1.973 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.991 2.172 2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.051 0.962 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 73 5.020 0.723 -0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.728 0.378 1.296 1.00 0.00 H new ATOM 583 N LYS A 74 9.019 4.298 -1.441 1.00 0.00 N ATOM 584 CA LYS A 74 10.374 4.464 -1.961 1.00 0.00 C ATOM 585 C LYS A 74 10.968 5.804 -1.537 1.00 0.00 C ATOM 586 O LYS A 74 12.141 5.887 -1.167 1.00 0.00 O ATOM 587 CB LYS A 74 10.385 4.359 -3.485 1.00 0.00 C ATOM 588 CG LYS A 74 9.966 2.998 -4.003 1.00 0.00 C ATOM 589 CD LYS A 74 10.091 2.918 -5.517 1.00 0.00 C ATOM 590 CE LYS A 74 9.646 1.563 -6.044 1.00 0.00 C ATOM 591 NZ LYS A 74 9.714 1.490 -7.527 1.00 0.00 N ATOM 0 H LYS A 74 8.305 4.154 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 74 10.985 3.664 -1.543 1.00 0.00 H new ATOM 0 HB2 LYS A 74 9.719 5.116 -3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.387 4.584 -3.849 1.00 0.00 H new ATOM 0 HG2 LYS A 74 10.584 2.226 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 74 8.935 2.797 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 74 9.489 3.703 -5.974 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.126 3.100 -5.807 1.00 0.00 H new ATOM 0 HE2 LYS A 74 10.274 0.783 -5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 74 8.625 1.365 -5.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 9.402 0.550 -7.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 9.095 2.217 -7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 10.693 1.653 -7.838 1.00 0.00 H new ATOM 605 N GLU A 75 10.166 6.856 -1.624 1.00 0.00 N ATOM 606 CA GLU A 75 10.625 8.199 -1.296 1.00 0.00 C ATOM 607 C GLU A 75 10.930 8.347 0.195 1.00 0.00 C ATOM 608 O GLU A 75 11.833 9.088 0.577 1.00 0.00 O ATOM 609 CB GLU A 75 9.582 9.236 -1.718 1.00 0.00 C ATOM 610 CG GLU A 75 9.332 9.289 -3.220 1.00 0.00 C ATOM 611 CD GLU A 75 10.534 9.776 -4.006 1.00 0.00 C ATOM 612 OE1 GLU A 75 11.543 9.043 -4.058 1.00 0.00 O ATOM 613 OE2 GLU A 75 10.475 10.890 -4.577 1.00 0.00 O ATOM 0 H GLU A 75 9.191 6.805 -1.920 1.00 0.00 H new ATOM 0 HA GLU A 75 11.550 8.370 -1.846 1.00 0.00 H new ATOM 0 HB2 GLU A 75 8.642 9.018 -1.211 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.906 10.220 -1.379 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.054 8.295 -3.571 1.00 0.00 H new ATOM 0 HG3 GLU A 75 8.485 9.946 -3.418 1.00 0.00 H new ATOM 620 N ASN A 76 10.097 7.748 1.035 1.00 0.00 N ATOM 621 CA ASN A 76 10.204 7.938 2.481 1.00 0.00 C ATOM 622 C ASN A 76 11.033 6.847 3.152 1.00 0.00 C ATOM 623 O ASN A 76 11.752 7.106 4.118 1.00 0.00 O ATOM 624 CB ASN A 76 8.811 7.999 3.103 1.00 0.00 C ATOM 625 CG ASN A 76 8.094 9.288 2.762 1.00 0.00 C ATOM 626 OD1 ASN A 76 8.453 10.356 3.254 1.00 0.00 O ATOM 627 ND2 ASN A 76 7.104 9.204 1.892 1.00 0.00 N ATOM 0 H ASN A 76 9.341 7.128 0.745 1.00 0.00 H new ATOM 0 HA ASN A 76 10.723 8.882 2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.220 7.152 2.753 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.893 7.905 4.186 1.00 0.00 H new ATOM 0 HD21 ASN A 76 6.605 10.046 1.604 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.838 8.297 1.508 1.00 0.00 H new ATOM 634 N TYR A 77 10.911 5.626 2.657 1.00 0.00 N ATOM 635 CA TYR A 77 11.638 4.491 3.215 1.00 0.00 C ATOM 636 C TYR A 77 12.438 3.778 2.123 1.00 0.00 C ATOM 637 O TYR A 77 12.076 2.673 1.712 1.00 0.00 O ATOM 638 CB TYR A 77 10.680 3.482 3.865 1.00 0.00 C ATOM 639 CG TYR A 77 9.788 4.050 4.948 1.00 0.00 C ATOM 640 CD1 TYR A 77 8.642 4.765 4.622 1.00 0.00 C ATOM 641 CD2 TYR A 77 10.096 3.882 6.292 1.00 0.00 C ATOM 642 CE1 TYR A 77 7.827 5.293 5.607 1.00 0.00 C ATOM 643 CE2 TYR A 77 9.289 4.410 7.282 1.00 0.00 C ATOM 644 CZ TYR A 77 8.140 5.078 6.941 1.00 0.00 C ATOM 645 OH TYR A 77 7.351 5.645 7.919 1.00 0.00 O ATOM 0 H TYR A 77 10.312 5.392 1.865 1.00 0.00 H new ATOM 0 HA TYR A 77 12.315 4.881 3.975 1.00 0.00 H new ATOM 0 HB2 TYR A 77 10.051 3.049 3.087 1.00 0.00 H new ATOM 0 HB3 TYR A 77 11.268 2.668 4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 77 8.384 4.911 3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 77 10.982 3.329 6.568 1.00 0.00 H new ATOM 0 HE1 TYR A 77 6.953 5.869 5.339 1.00 0.00 H new ATOM 0 HE2 TYR A 77 9.562 4.297 8.321 1.00 0.00 H new ATOM 0 HH TYR A 77 7.699 5.401 8.802 1.00 0.00 H new ATOM 655 N PRO A 78 13.544 4.388 1.648 1.00 0.00 N ATOM 656 CA PRO A 78 14.391 3.804 0.596 1.00 0.00 C ATOM 657 C PRO A 78 14.899 2.408 0.955 1.00 0.00 C ATOM 658 O PRO A 78 15.211 1.611 0.069 1.00 0.00 O ATOM 659 CB PRO A 78 15.567 4.785 0.477 1.00 0.00 C ATOM 660 CG PRO A 78 15.504 5.632 1.702 1.00 0.00 C ATOM 661 CD PRO A 78 14.057 5.694 2.088 1.00 0.00 C ATOM 0 HA PRO A 78 13.835 3.674 -0.332 1.00 0.00 H new ATOM 0 HB2 PRO A 78 16.517 4.254 0.416 1.00 0.00 H new ATOM 0 HB3 PRO A 78 15.482 5.392 -0.425 1.00 0.00 H new ATOM 0 HG2 PRO A 78 16.104 5.203 2.504 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.899 6.629 1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.931 5.837 3.161 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.542 6.518 1.594 1.00 0.00 H new ATOM 669 N ILE A 79 14.945 2.117 2.255 1.00 0.00 N ATOM 670 CA ILE A 79 15.373 0.813 2.755 1.00 0.00 C ATOM 671 C ILE A 79 14.576 -0.300 2.096 1.00 0.00 C ATOM 672 O ILE A 79 15.086 -1.053 1.266 1.00 0.00 O ATOM 673 CB ILE A 79 15.140 0.694 4.278 1.00 0.00 C ATOM 674 CG1 ILE A 79 15.597 1.955 5.019 1.00 0.00 C ATOM 675 CG2 ILE A 79 15.863 -0.525 4.830 1.00 0.00 C ATOM 676 CD1 ILE A 79 14.528 3.022 5.141 1.00 0.00 C ATOM 0 H ILE A 79 14.687 2.777 2.988 1.00 0.00 H new ATOM 0 HA ILE A 79 16.435 0.722 2.525 1.00 0.00 H new ATOM 0 HB ILE A 79 14.068 0.580 4.439 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.932 1.675 6.018 1.00 0.00 H new ATOM 0 HG13 ILE A 79 16.458 2.376 4.500 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.690 -0.596 5.904 1.00 0.00 H new ATOM 0 HG22 ILE A 79 15.486 -1.424 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 79 16.932 -0.431 4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 79 14.931 3.881 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 79 14.209 3.333 4.146 1.00 0.00 H new ATOM 0 HD13 ILE A 79 13.674 2.621 5.687 1.00 0.00 H new ATOM 688 N VAL A 80 13.299 -0.335 2.434 1.00 0.00 N ATOM 689 CA VAL A 80 12.368 -1.284 1.866 1.00 0.00 C ATOM 690 C VAL A 80 12.093 -0.932 0.413 1.00 0.00 C ATOM 691 O VAL A 80 11.857 -1.810 -0.416 1.00 0.00 O ATOM 692 CB VAL A 80 11.061 -1.292 2.685 1.00 0.00 C ATOM 693 CG1 VAL A 80 9.873 -0.962 1.830 1.00 0.00 C ATOM 694 CG2 VAL A 80 10.857 -2.621 3.386 1.00 0.00 C ATOM 0 H VAL A 80 12.880 0.299 3.114 1.00 0.00 H new ATOM 0 HA VAL A 80 12.803 -2.283 1.902 1.00 0.00 H new ATOM 0 HB VAL A 80 11.155 -0.517 3.445 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.970 -0.977 2.440 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.001 0.030 1.396 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.783 -1.699 1.032 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.927 -2.594 3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.806 -3.419 2.645 1.00 0.00 H new ATOM 0 HG23 VAL A 80 11.691 -2.807 4.063 1.00 0.00 H new ATOM 704 N GLY A 81 12.064 0.369 0.134 1.00 0.00 N ATOM 705 CA GLY A 81 11.747 0.833 -1.196 1.00 0.00 C ATOM 706 C GLY A 81 12.620 0.191 -2.256 1.00 0.00 C ATOM 707 O GLY A 81 12.131 -0.246 -3.297 1.00 0.00 O ATOM 0 H GLY A 81 12.256 1.108 0.811 1.00 0.00 H new ATOM 0 HA2 GLY A 81 10.700 0.619 -1.413 1.00 0.00 H new ATOM 0 HA3 GLY A 81 11.866 1.916 -1.238 1.00 0.00 H new ATOM 711 N SER A 82 13.908 0.072 -1.963 1.00 0.00 N ATOM 712 CA SER A 82 14.840 -0.570 -2.865 1.00 0.00 C ATOM 713 C SER A 82 15.257 -1.943 -2.331 1.00 0.00 C ATOM 714 O SER A 82 16.417 -2.344 -2.457 1.00 0.00 O ATOM 715 CB SER A 82 16.064 0.321 -3.055 1.00 0.00 C ATOM 716 OG SER A 82 15.693 1.593 -3.568 1.00 0.00 O ATOM 0 H SER A 82 14.328 0.416 -1.100 1.00 0.00 H new ATOM 0 HA SER A 82 14.351 -0.719 -3.828 1.00 0.00 H new ATOM 0 HB2 SER A 82 16.579 0.445 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 82 16.766 -0.159 -3.737 1.00 0.00 H new ATOM 0 HG SER A 82 16.494 2.147 -3.680 1.00 0.00 H new ATOM 722 N ALA A 83 14.303 -2.667 -1.749 1.00 0.00 N ATOM 723 CA ALA A 83 14.571 -3.993 -1.186 1.00 0.00 C ATOM 724 C ALA A 83 14.541 -5.084 -2.260 1.00 0.00 C ATOM 725 O ALA A 83 14.537 -6.274 -1.941 1.00 0.00 O ATOM 726 CB ALA A 83 13.567 -4.310 -0.086 1.00 0.00 C ATOM 0 H ALA A 83 13.335 -2.359 -1.654 1.00 0.00 H new ATOM 0 HA ALA A 83 15.575 -3.975 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.777 -5.298 0.324 1.00 0.00 H new ATOM 0 HB2 ALA A 83 13.646 -3.564 0.705 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.558 -4.295 -0.499 1.00 0.00 H new ATOM 732 N SER A 84 14.567 -4.659 -3.526 1.00 0.00 N ATOM 733 CA SER A 84 14.586 -5.556 -4.689 1.00 0.00 C ATOM 734 C SER A 84 13.243 -6.269 -4.880 1.00 0.00 C ATOM 735 O SER A 84 12.583 -6.097 -5.907 1.00 0.00 O ATOM 736 CB SER A 84 15.728 -6.578 -4.578 1.00 0.00 C ATOM 737 OG SER A 84 15.855 -7.343 -5.764 1.00 0.00 O ATOM 0 H SER A 84 14.576 -3.670 -3.777 1.00 0.00 H new ATOM 0 HA SER A 84 14.760 -4.937 -5.569 1.00 0.00 H new ATOM 0 HB2 SER A 84 16.665 -6.058 -4.376 1.00 0.00 H new ATOM 0 HB3 SER A 84 15.543 -7.242 -3.733 1.00 0.00 H new ATOM 0 HG SER A 84 16.590 -7.983 -5.663 1.00 0.00 H new ATOM 743 N ASN A 85 12.813 -7.018 -3.876 1.00 0.00 N ATOM 744 CA ASN A 85 11.534 -7.718 -3.929 1.00 0.00 C ATOM 745 C ASN A 85 10.447 -6.913 -3.230 1.00 0.00 C ATOM 746 O ASN A 85 9.429 -7.457 -2.800 1.00 0.00 O ATOM 747 CB ASN A 85 11.652 -9.099 -3.283 1.00 0.00 C ATOM 748 CG ASN A 85 12.342 -9.059 -1.927 1.00 0.00 C ATOM 749 OD1 ASN A 85 11.927 -8.338 -1.023 1.00 0.00 O ATOM 750 ND2 ASN A 85 13.411 -9.827 -1.782 1.00 0.00 N ATOM 0 H ASN A 85 13.333 -7.158 -3.010 1.00 0.00 H new ATOM 0 HA ASN A 85 11.260 -7.838 -4.977 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.656 -9.527 -3.166 1.00 0.00 H new ATOM 0 HB3 ASN A 85 12.207 -9.760 -3.949 1.00 0.00 H new ATOM 0 HD21 ASN A 85 13.919 -9.833 -0.897 1.00 0.00 H new ATOM 0 HD22 ASN A 85 13.727 -10.413 -2.555 1.00 0.00 H new ATOM 757 N PHE A 86 10.665 -5.611 -3.153 1.00 0.00 N ATOM 758 CA PHE A 86 9.725 -4.699 -2.519 1.00 0.00 C ATOM 759 C PHE A 86 8.339 -4.796 -3.143 1.00 0.00 C ATOM 760 O PHE A 86 7.331 -4.773 -2.439 1.00 0.00 O ATOM 761 CB PHE A 86 10.252 -3.268 -2.641 1.00 0.00 C ATOM 762 CG PHE A 86 9.229 -2.213 -2.328 1.00 0.00 C ATOM 763 CD1 PHE A 86 8.615 -2.175 -1.086 1.00 0.00 C ATOM 764 CD2 PHE A 86 8.886 -1.263 -3.269 1.00 0.00 C ATOM 765 CE1 PHE A 86 7.682 -1.202 -0.789 1.00 0.00 C ATOM 766 CE2 PHE A 86 7.952 -0.289 -2.981 1.00 0.00 C ATOM 767 CZ PHE A 86 7.327 -0.273 -1.765 1.00 0.00 C ATOM 0 H PHE A 86 11.497 -5.156 -3.527 1.00 0.00 H new ATOM 0 HA PHE A 86 9.634 -4.977 -1.469 1.00 0.00 H new ATOM 0 HB2 PHE A 86 11.102 -3.146 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 86 10.621 -3.113 -3.655 1.00 0.00 H new ATOM 0 HD1 PHE A 86 8.869 -2.915 -0.342 1.00 0.00 H new ATOM 0 HD2 PHE A 86 9.354 -1.282 -4.242 1.00 0.00 H new ATOM 0 HE1 PHE A 86 7.231 -1.161 0.191 1.00 0.00 H new ATOM 0 HE2 PHE A 86 7.714 0.463 -3.718 1.00 0.00 H new ATOM 0 HZ PHE A 86 6.559 0.459 -1.561 1.00 0.00 H new ATOM 777 N ASP A 87 8.292 -4.826 -4.464 1.00 0.00 N ATOM 778 CA ASP A 87 7.025 -4.811 -5.182 1.00 0.00 C ATOM 779 C ASP A 87 6.237 -6.093 -4.918 1.00 0.00 C ATOM 780 O ASP A 87 5.035 -6.051 -4.649 1.00 0.00 O ATOM 781 CB ASP A 87 7.277 -4.625 -6.679 1.00 0.00 C ATOM 782 CG ASP A 87 6.034 -4.206 -7.436 1.00 0.00 C ATOM 783 OD1 ASP A 87 5.127 -5.050 -7.606 1.00 0.00 O ATOM 784 OD2 ASP A 87 5.958 -3.044 -7.876 1.00 0.00 O ATOM 0 H ASP A 87 9.117 -4.861 -5.063 1.00 0.00 H new ATOM 0 HA ASP A 87 6.428 -3.973 -4.822 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.054 -3.874 -6.821 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.655 -5.558 -7.098 1.00 0.00 H new ATOM 789 N LEU A 88 6.947 -7.217 -4.891 1.00 0.00 N ATOM 790 CA LEU A 88 6.343 -8.506 -4.567 1.00 0.00 C ATOM 791 C LEU A 88 5.816 -8.495 -3.136 1.00 0.00 C ATOM 792 O LEU A 88 4.666 -8.859 -2.875 1.00 0.00 O ATOM 793 CB LEU A 88 7.385 -9.625 -4.761 1.00 0.00 C ATOM 794 CG LEU A 88 6.903 -11.075 -4.568 1.00 0.00 C ATOM 795 CD1 LEU A 88 7.142 -11.545 -3.142 1.00 0.00 C ATOM 796 CD2 LEU A 88 5.432 -11.212 -4.920 1.00 0.00 C ATOM 0 H LEU A 88 7.946 -7.261 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 88 5.502 -8.692 -5.235 1.00 0.00 H new ATOM 0 HB2 LEU A 88 7.794 -9.536 -5.768 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.206 -9.446 -4.067 1.00 0.00 H new ATOM 0 HG LEU A 88 7.482 -11.705 -5.243 1.00 0.00 H new ATOM 0 HD11 LEU A 88 6.792 -12.572 -3.034 1.00 0.00 H new ATOM 0 HD12 LEU A 88 8.208 -11.499 -2.918 1.00 0.00 H new ATOM 0 HD13 LEU A 88 6.598 -10.902 -2.451 1.00 0.00 H new ATOM 0 HD21 LEU A 88 5.118 -12.246 -4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 88 4.842 -10.560 -4.277 1.00 0.00 H new ATOM 0 HD23 LEU A 88 5.279 -10.929 -5.962 1.00 0.00 H new ATOM 808 N TYR A 89 6.657 -8.046 -2.220 1.00 0.00 N ATOM 809 CA TYR A 89 6.299 -7.968 -0.815 1.00 0.00 C ATOM 810 C TYR A 89 5.123 -7.017 -0.596 1.00 0.00 C ATOM 811 O TYR A 89 4.254 -7.270 0.240 1.00 0.00 O ATOM 812 CB TYR A 89 7.503 -7.509 0.003 1.00 0.00 C ATOM 813 CG TYR A 89 8.539 -8.587 0.257 1.00 0.00 C ATOM 814 CD1 TYR A 89 8.689 -9.659 -0.610 1.00 0.00 C ATOM 815 CD2 TYR A 89 9.368 -8.524 1.368 1.00 0.00 C ATOM 816 CE1 TYR A 89 9.631 -10.641 -0.381 1.00 0.00 C ATOM 817 CE2 TYR A 89 10.318 -9.500 1.605 1.00 0.00 C ATOM 818 CZ TYR A 89 10.445 -10.557 0.730 1.00 0.00 C ATOM 819 OH TYR A 89 11.389 -11.534 0.965 1.00 0.00 O ATOM 0 H TYR A 89 7.603 -7.727 -2.428 1.00 0.00 H new ATOM 0 HA TYR A 89 5.995 -8.962 -0.485 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.982 -6.677 -0.514 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.151 -7.128 0.962 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.056 -9.727 -1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.270 -7.699 2.058 1.00 0.00 H new ATOM 0 HE1 TYR A 89 9.730 -11.470 -1.067 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.958 -9.434 2.472 1.00 0.00 H new ATOM 0 HH TYR A 89 11.879 -11.324 1.787 1.00 0.00 H new ATOM 829 N PHE A 90 5.119 -5.915 -1.333 1.00 0.00 N ATOM 830 CA PHE A 90 4.066 -4.913 -1.220 1.00 0.00 C ATOM 831 C PHE A 90 2.714 -5.505 -1.596 1.00 0.00 C ATOM 832 O PHE A 90 1.730 -5.335 -0.875 1.00 0.00 O ATOM 833 CB PHE A 90 4.374 -3.718 -2.125 1.00 0.00 C ATOM 834 CG PHE A 90 3.373 -2.607 -2.011 1.00 0.00 C ATOM 835 CD1 PHE A 90 3.353 -1.787 -0.898 1.00 0.00 C ATOM 836 CD2 PHE A 90 2.461 -2.373 -3.024 1.00 0.00 C ATOM 837 CE1 PHE A 90 2.440 -0.757 -0.794 1.00 0.00 C ATOM 838 CE2 PHE A 90 1.544 -1.345 -2.927 1.00 0.00 C ATOM 839 CZ PHE A 90 1.505 -0.563 -1.794 1.00 0.00 C ATOM 0 H PHE A 90 5.838 -5.691 -2.021 1.00 0.00 H new ATOM 0 HA PHE A 90 4.025 -4.579 -0.183 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.363 -3.332 -1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.412 -4.057 -3.160 1.00 0.00 H new ATOM 0 HD1 PHE A 90 4.061 -1.955 -0.100 1.00 0.00 H new ATOM 0 HD2 PHE A 90 2.466 -3.002 -3.902 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.456 -0.104 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.858 -1.154 -3.739 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.747 0.199 -1.687 1.00 0.00 H new ATOM 849 N ASN A 91 2.671 -6.193 -2.730 1.00 0.00 N ATOM 850 CA ASN A 91 1.434 -6.792 -3.214 1.00 0.00 C ATOM 851 C ASN A 91 0.908 -7.827 -2.231 1.00 0.00 C ATOM 852 O ASN A 91 -0.285 -7.854 -1.930 1.00 0.00 O ATOM 853 CB ASN A 91 1.637 -7.425 -4.591 1.00 0.00 C ATOM 854 CG ASN A 91 1.614 -6.400 -5.709 1.00 0.00 C ATOM 855 OD1 ASN A 91 0.619 -5.703 -5.907 1.00 0.00 O ATOM 856 ND2 ASN A 91 2.709 -6.298 -6.443 1.00 0.00 N ATOM 0 H ASN A 91 3.479 -6.350 -3.332 1.00 0.00 H new ATOM 0 HA ASN A 91 0.694 -5.997 -3.305 1.00 0.00 H new ATOM 0 HB2 ASN A 91 2.589 -7.955 -4.607 1.00 0.00 H new ATOM 0 HB3 ASN A 91 0.857 -8.166 -4.765 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.750 -5.623 -7.206 1.00 0.00 H new ATOM 0 HD22 ASN A 91 3.512 -6.895 -6.246 1.00 0.00 H new ATOM 863 N ASN A 92 1.809 -8.631 -1.680 1.00 0.00 N ATOM 864 CA ASN A 92 1.436 -9.618 -0.673 1.00 0.00 C ATOM 865 C ASN A 92 0.831 -8.941 0.549 1.00 0.00 C ATOM 866 O ASN A 92 -0.171 -9.405 1.092 1.00 0.00 O ATOM 867 CB ASN A 92 2.638 -10.462 -0.248 1.00 0.00 C ATOM 868 CG ASN A 92 2.970 -11.552 -1.245 1.00 0.00 C ATOM 869 OD1 ASN A 92 2.104 -12.329 -1.644 1.00 0.00 O ATOM 870 ND2 ASN A 92 4.225 -11.633 -1.643 1.00 0.00 N ATOM 0 H ASN A 92 2.802 -8.619 -1.913 1.00 0.00 H new ATOM 0 HA ASN A 92 0.692 -10.275 -1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 92 3.505 -9.814 -0.123 1.00 0.00 H new ATOM 0 HB3 ASN A 92 2.434 -10.913 0.723 1.00 0.00 H new ATOM 0 HD21 ASN A 92 4.505 -12.358 -2.304 1.00 0.00 H new ATOM 0 HD22 ASN A 92 4.916 -10.971 -1.290 1.00 0.00 H new ATOM 877 N ALA A 93 1.435 -7.832 0.959 1.00 0.00 N ATOM 878 CA ALA A 93 0.951 -7.067 2.101 1.00 0.00 C ATOM 879 C ALA A 93 -0.450 -6.527 1.840 1.00 0.00 C ATOM 880 O ALA A 93 -1.327 -6.607 2.700 1.00 0.00 O ATOM 881 CB ALA A 93 1.910 -5.927 2.416 1.00 0.00 C ATOM 0 H ALA A 93 2.266 -7.441 0.514 1.00 0.00 H new ATOM 0 HA ALA A 93 0.902 -7.733 2.963 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.537 -5.363 3.271 1.00 0.00 H new ATOM 0 HB2 ALA A 93 2.894 -6.333 2.651 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.987 -5.267 1.552 1.00 0.00 H new ATOM 887 N ILE A 94 -0.660 -6.010 0.634 1.00 0.00 N ATOM 888 CA ILE A 94 -1.960 -5.483 0.233 1.00 0.00 C ATOM 889 C ILE A 94 -3.029 -6.572 0.290 1.00 0.00 C ATOM 890 O ILE A 94 -4.086 -6.390 0.898 1.00 0.00 O ATOM 891 CB ILE A 94 -1.915 -4.905 -1.203 1.00 0.00 C ATOM 892 CG1 ILE A 94 -0.958 -3.711 -1.280 1.00 0.00 C ATOM 893 CG2 ILE A 94 -3.309 -4.503 -1.673 1.00 0.00 C ATOM 894 CD1 ILE A 94 -1.386 -2.526 -0.441 1.00 0.00 C ATOM 0 H ILE A 94 0.058 -5.944 -0.087 1.00 0.00 H new ATOM 0 HA ILE A 94 -2.210 -4.686 0.933 1.00 0.00 H new ATOM 0 HB ILE A 94 -1.544 -5.686 -1.866 1.00 0.00 H new ATOM 0 HG12 ILE A 94 0.033 -4.031 -0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -0.870 -3.395 -2.319 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.250 -4.100 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.961 -5.377 -1.668 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.714 -3.744 -1.003 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.658 -1.722 -0.549 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.363 -2.178 -0.775 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -1.446 -2.824 0.606 1.00 0.00 H new ATOM 906 N LYS A 95 -2.756 -7.687 -0.374 1.00 0.00 N ATOM 907 CA LYS A 95 -3.713 -8.782 -0.478 1.00 0.00 C ATOM 908 C LYS A 95 -4.022 -9.392 0.885 1.00 0.00 C ATOM 909 O LYS A 95 -5.182 -9.650 1.211 1.00 0.00 O ATOM 910 CB LYS A 95 -3.176 -9.855 -1.423 1.00 0.00 C ATOM 911 CG LYS A 95 -2.898 -9.337 -2.821 1.00 0.00 C ATOM 912 CD LYS A 95 -2.283 -10.407 -3.703 1.00 0.00 C ATOM 913 CE LYS A 95 -1.906 -9.843 -5.059 1.00 0.00 C ATOM 914 NZ LYS A 95 -1.376 -10.885 -5.971 1.00 0.00 N ATOM 0 H LYS A 95 -1.872 -7.858 -0.853 1.00 0.00 H new ATOM 0 HA LYS A 95 -4.642 -8.376 -0.878 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -2.258 -10.269 -1.007 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -3.896 -10.671 -1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -3.827 -8.985 -3.270 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -2.226 -8.481 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.398 -10.819 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -2.988 -11.228 -3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -2.780 -9.376 -5.512 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -1.158 -9.061 -4.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -1.132 -10.454 -6.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.526 -11.313 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -2.098 -11.619 -6.116 1.00 0.00 H new ATOM 928 N LYS A 96 -2.982 -9.626 1.675 1.00 0.00 N ATOM 929 CA LYS A 96 -3.145 -10.210 3.000 1.00 0.00 C ATOM 930 C LYS A 96 -3.864 -9.228 3.923 1.00 0.00 C ATOM 931 O LYS A 96 -4.686 -9.618 4.750 1.00 0.00 O ATOM 932 CB LYS A 96 -1.775 -10.600 3.574 1.00 0.00 C ATOM 933 CG LYS A 96 -1.837 -11.573 4.745 1.00 0.00 C ATOM 934 CD LYS A 96 -2.119 -10.867 6.061 1.00 0.00 C ATOM 935 CE LYS A 96 -1.017 -9.879 6.414 1.00 0.00 C ATOM 936 NZ LYS A 96 -1.254 -9.229 7.727 1.00 0.00 N ATOM 0 H LYS A 96 -2.016 -9.420 1.421 1.00 0.00 H new ATOM 0 HA LYS A 96 -3.753 -11.111 2.922 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.175 -11.044 2.780 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -1.259 -9.696 3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -2.613 -12.315 4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -0.892 -12.112 4.818 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -3.072 -10.342 5.996 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -2.215 -11.605 6.857 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.058 -10.397 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -0.952 -9.116 5.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -0.481 -8.564 7.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -2.157 -8.713 7.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -1.291 -9.954 8.472 1.00 0.00 H new ATOM 950 N GLY A 97 -3.535 -7.956 3.784 1.00 0.00 N ATOM 951 CA GLY A 97 -4.137 -6.941 4.620 1.00 0.00 C ATOM 952 C GLY A 97 -5.623 -6.765 4.369 1.00 0.00 C ATOM 953 O GLY A 97 -6.398 -6.593 5.312 1.00 0.00 O ATOM 0 H GLY A 97 -2.859 -7.606 3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -3.980 -7.201 5.667 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -3.631 -5.991 4.449 1.00 0.00 H new ATOM 957 N VAL A 98 -6.025 -6.745 3.102 1.00 0.00 N ATOM 958 CA VAL A 98 -7.427 -6.510 2.764 1.00 0.00 C ATOM 959 C VAL A 98 -8.320 -7.655 3.240 1.00 0.00 C ATOM 960 O VAL A 98 -9.431 -7.423 3.717 1.00 0.00 O ATOM 961 CB VAL A 98 -7.649 -6.261 1.252 1.00 0.00 C ATOM 962 CG1 VAL A 98 -6.939 -4.992 0.808 1.00 0.00 C ATOM 963 CG2 VAL A 98 -7.189 -7.442 0.416 1.00 0.00 C ATOM 0 H VAL A 98 -5.410 -6.887 2.301 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.709 -5.599 3.291 1.00 0.00 H new ATOM 0 HB VAL A 98 -8.721 -6.139 1.095 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -7.107 -4.835 -0.257 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -7.330 -4.142 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -5.870 -5.089 0.996 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -7.361 -7.230 -0.639 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.126 -7.614 0.583 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.750 -8.331 0.703 1.00 0.00 H new ATOM 973 N GLU A 99 -7.829 -8.882 3.140 1.00 0.00 N ATOM 974 CA GLU A 99 -8.595 -10.039 3.582 1.00 0.00 C ATOM 975 C GLU A 99 -8.676 -10.089 5.105 1.00 0.00 C ATOM 976 O GLU A 99 -9.734 -10.370 5.666 1.00 0.00 O ATOM 977 CB GLU A 99 -7.985 -11.331 3.042 1.00 0.00 C ATOM 978 CG GLU A 99 -6.538 -11.526 3.410 1.00 0.00 C ATOM 979 CD GLU A 99 -5.961 -12.796 2.829 1.00 0.00 C ATOM 980 OE1 GLU A 99 -6.448 -13.888 3.182 1.00 0.00 O ATOM 981 OE2 GLU A 99 -5.029 -12.712 2.010 1.00 0.00 O ATOM 0 H GLU A 99 -6.909 -9.102 2.759 1.00 0.00 H new ATOM 0 HA GLU A 99 -9.606 -9.941 3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -8.562 -12.177 3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -8.077 -11.338 1.956 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.958 -10.673 3.058 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.442 -11.550 4.496 1.00 0.00 H new ATOM 988 N ALA A 100 -7.555 -9.813 5.762 1.00 0.00 N ATOM 989 CA ALA A 100 -7.480 -9.837 7.217 1.00 0.00 C ATOM 990 C ALA A 100 -8.409 -8.803 7.834 1.00 0.00 C ATOM 991 O ALA A 100 -9.050 -9.056 8.855 1.00 0.00 O ATOM 992 CB ALA A 100 -6.049 -9.596 7.671 1.00 0.00 C ATOM 0 H ALA A 100 -6.677 -9.568 5.304 1.00 0.00 H new ATOM 0 HA ALA A 100 -7.801 -10.822 7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.004 -9.616 8.760 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.403 -10.375 7.267 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.712 -8.623 7.312 1.00 0.00 H new ATOM 998 N GLY A 101 -8.476 -7.638 7.212 1.00 0.00 N ATOM 999 CA GLY A 101 -9.319 -6.579 7.719 1.00 0.00 C ATOM 1000 C GLY A 101 -8.518 -5.367 8.129 1.00 0.00 C ATOM 1001 O GLY A 101 -8.843 -4.697 9.110 1.00 0.00 O ATOM 0 H GLY A 101 -7.960 -7.407 6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -10.042 -6.294 6.955 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.886 -6.945 8.575 1.00 0.00 H new ATOM 1005 N ASP A 102 -7.463 -5.096 7.382 1.00 0.00 N ATOM 1006 CA ASP A 102 -6.578 -3.993 7.671 1.00 0.00 C ATOM 1007 C ASP A 102 -6.697 -2.936 6.588 1.00 0.00 C ATOM 1008 O ASP A 102 -6.691 -1.736 6.872 1.00 0.00 O ATOM 1009 CB ASP A 102 -5.139 -4.494 7.746 1.00 0.00 C ATOM 1010 CG ASP A 102 -4.760 -5.026 9.117 1.00 0.00 C ATOM 1011 OD1 ASP A 102 -5.370 -6.015 9.571 1.00 0.00 O ATOM 1012 OD2 ASP A 102 -3.839 -4.466 9.742 1.00 0.00 O ATOM 0 H ASP A 102 -7.199 -5.637 6.559 1.00 0.00 H new ATOM 0 HA ASP A 102 -6.857 -3.554 8.629 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -4.997 -5.282 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -4.464 -3.681 7.480 1.00 0.00 H new ATOM 1017 N PHE A 103 -6.887 -3.388 5.352 1.00 0.00 N ATOM 1018 CA PHE A 103 -7.086 -2.480 4.234 1.00 0.00 C ATOM 1019 C PHE A 103 -8.311 -2.909 3.430 1.00 0.00 C ATOM 1020 O PHE A 103 -8.774 -4.040 3.557 1.00 0.00 O ATOM 1021 CB PHE A 103 -5.850 -2.445 3.321 1.00 0.00 C ATOM 1022 CG PHE A 103 -4.537 -2.526 4.046 1.00 0.00 C ATOM 1023 CD1 PHE A 103 -3.997 -1.400 4.642 1.00 0.00 C ATOM 1024 CD2 PHE A 103 -3.843 -3.722 4.130 1.00 0.00 C ATOM 1025 CE1 PHE A 103 -2.790 -1.460 5.308 1.00 0.00 C ATOM 1026 CE2 PHE A 103 -2.633 -3.790 4.796 1.00 0.00 C ATOM 1027 CZ PHE A 103 -2.110 -2.699 5.390 1.00 0.00 C ATOM 0 H PHE A 103 -6.907 -4.377 5.102 1.00 0.00 H new ATOM 0 HA PHE A 103 -7.243 -1.478 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 103 -5.912 -3.273 2.615 1.00 0.00 H new ATOM 0 HB3 PHE A 103 -5.872 -1.525 2.737 1.00 0.00 H new ATOM 0 HD1 PHE A 103 -4.528 -0.461 4.585 1.00 0.00 H new ATOM 0 HD2 PHE A 103 -4.251 -4.610 3.671 1.00 0.00 H new ATOM 0 HE1 PHE A 103 -2.370 -0.574 5.760 1.00 0.00 H new ATOM 0 HE2 PHE A 103 -2.101 -4.729 4.841 1.00 0.00 H new ATOM 0 HZ PHE A 103 -1.175 -2.770 5.927 1.00 0.00 H new ATOM 1037 N GLU A 104 -8.835 -2.005 2.621 1.00 0.00 N ATOM 1038 CA GLU A 104 -9.997 -2.282 1.784 1.00 0.00 C ATOM 1039 C GLU A 104 -9.760 -1.737 0.385 1.00 0.00 C ATOM 1040 O GLU A 104 -9.039 -0.763 0.221 1.00 0.00 O ATOM 1041 CB GLU A 104 -11.251 -1.644 2.380 1.00 0.00 C ATOM 1042 CG GLU A 104 -11.938 -2.499 3.429 1.00 0.00 C ATOM 1043 CD GLU A 104 -12.570 -3.736 2.831 1.00 0.00 C ATOM 1044 OE1 GLU A 104 -13.443 -3.603 1.953 1.00 0.00 O ATOM 1045 OE2 GLU A 104 -12.196 -4.857 3.245 1.00 0.00 O ATOM 0 H GLU A 104 -8.470 -1.058 2.523 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.144 -3.361 1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -10.983 -0.686 2.825 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -11.957 -1.435 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.213 -2.794 4.187 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -12.704 -1.909 3.932 1.00 0.00 H new ATOM 1052 N GLN A 105 -10.326 -2.375 -0.625 1.00 0.00 N ATOM 1053 CA GLN A 105 -10.148 -1.907 -1.992 1.00 0.00 C ATOM 1054 C GLN A 105 -11.496 -1.666 -2.667 1.00 0.00 C ATOM 1055 O GLN A 105 -12.285 -2.593 -2.854 1.00 0.00 O ATOM 1056 CB GLN A 105 -9.323 -2.906 -2.802 1.00 0.00 C ATOM 1057 CG GLN A 105 -7.923 -3.129 -2.250 1.00 0.00 C ATOM 1058 CD GLN A 105 -7.018 -3.845 -3.227 1.00 0.00 C ATOM 1059 OE1 GLN A 105 -6.567 -3.266 -4.220 1.00 0.00 O ATOM 1060 NE2 GLN A 105 -6.749 -5.108 -2.963 1.00 0.00 N ATOM 0 H GLN A 105 -10.906 -3.208 -0.529 1.00 0.00 H new ATOM 0 HA GLN A 105 -9.609 -0.960 -1.953 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -9.849 -3.860 -2.831 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -9.247 -2.553 -3.830 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -7.482 -2.167 -1.990 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.988 -3.709 -1.329 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -7.141 -5.550 -2.132 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -6.148 -5.643 -3.590 1.00 0.00 H new ATOM 1069 N PRO A 106 -11.802 -0.396 -2.975 1.00 0.00 N ATOM 1070 CA PRO A 106 -13.079 -0.008 -3.579 1.00 0.00 C ATOM 1071 C PRO A 106 -13.157 -0.330 -5.073 1.00 0.00 C ATOM 1072 O PRO A 106 -14.235 -0.591 -5.606 1.00 0.00 O ATOM 1073 CB PRO A 106 -13.130 1.503 -3.353 1.00 0.00 C ATOM 1074 CG PRO A 106 -11.703 1.929 -3.292 1.00 0.00 C ATOM 1075 CD PRO A 106 -10.940 0.772 -2.700 1.00 0.00 C ATOM 0 HA PRO A 106 -13.914 -0.552 -3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -13.658 2.006 -4.163 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -13.655 1.747 -2.430 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -11.328 2.174 -4.286 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.590 2.823 -2.679 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -9.958 0.662 -3.161 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -10.777 0.906 -1.631 1.00 0.00 H new ATOM 1083 N LYS A 107 -12.026 -0.231 -5.763 1.00 0.00 N ATOM 1084 CA LYS A 107 -12.008 -0.414 -7.210 1.00 0.00 C ATOM 1085 C LYS A 107 -11.946 -1.891 -7.577 1.00 0.00 C ATOM 1086 O LYS A 107 -12.707 -2.358 -8.422 1.00 0.00 O ATOM 1087 CB LYS A 107 -10.822 0.328 -7.831 1.00 0.00 C ATOM 1088 CG LYS A 107 -10.865 1.833 -7.622 1.00 0.00 C ATOM 1089 CD LYS A 107 -9.736 2.537 -8.360 1.00 0.00 C ATOM 1090 CE LYS A 107 -9.754 4.039 -8.118 1.00 0.00 C ATOM 1091 NZ LYS A 107 -11.023 4.664 -8.575 1.00 0.00 N ATOM 0 H LYS A 107 -11.117 -0.027 -5.348 1.00 0.00 H new ATOM 0 HA LYS A 107 -12.934 0.000 -7.608 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.898 -0.063 -7.406 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -10.794 0.119 -8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -11.823 2.221 -7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -10.797 2.054 -6.557 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.779 2.128 -8.036 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.821 2.340 -9.429 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -9.616 4.236 -7.055 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -8.915 4.500 -8.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.923 5.699 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -11.238 4.346 -9.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.796 4.385 -7.938 1.00 0.00 H new ATOM 1105 N GLY A 108 -11.060 -2.623 -6.923 1.00 0.00 N ATOM 1106 CA GLY A 108 -10.937 -4.043 -7.188 1.00 0.00 C ATOM 1107 C GLY A 108 -9.759 -4.648 -6.460 1.00 0.00 C ATOM 1108 O GLY A 108 -9.078 -3.946 -5.715 1.00 0.00 O ATOM 0 H GLY A 108 -10.423 -2.261 -6.213 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -11.852 -4.550 -6.884 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -10.824 -4.205 -8.260 1.00 0.00 H new ATOM 1112 N PRO A 109 -9.452 -5.933 -6.711 1.00 0.00 N ATOM 1113 CA PRO A 109 -8.322 -6.631 -6.079 1.00 0.00 C ATOM 1114 C PRO A 109 -6.981 -5.965 -6.374 1.00 0.00 C ATOM 1115 O PRO A 109 -6.060 -6.007 -5.555 1.00 0.00 O ATOM 1116 CB PRO A 109 -8.370 -8.033 -6.688 1.00 0.00 C ATOM 1117 CG PRO A 109 -9.174 -7.891 -7.935 1.00 0.00 C ATOM 1118 CD PRO A 109 -10.175 -6.808 -7.650 1.00 0.00 C ATOM 0 HA PRO A 109 -8.406 -6.625 -4.992 1.00 0.00 H new ATOM 0 HB2 PRO A 109 -7.368 -8.402 -6.906 1.00 0.00 H new ATOM 0 HB3 PRO A 109 -8.830 -8.745 -6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 109 -8.541 -7.626 -8.782 1.00 0.00 H new ATOM 0 HG3 PRO A 109 -9.671 -8.827 -8.189 1.00 0.00 H new ATOM 0 HD2 PRO A 109 -10.465 -6.277 -8.556 1.00 0.00 H new ATOM 0 HD3 PRO A 109 -11.088 -7.207 -7.209 1.00 0.00 H new ATOM 1126 N ALA A 110 -6.891 -5.319 -7.531 1.00 0.00 N ATOM 1127 CA ALA A 110 -5.689 -4.599 -7.919 1.00 0.00 C ATOM 1128 C ALA A 110 -6.057 -3.240 -8.498 1.00 0.00 C ATOM 1129 O ALA A 110 -5.500 -2.801 -9.505 1.00 0.00 O ATOM 1130 CB ALA A 110 -4.884 -5.410 -8.926 1.00 0.00 C ATOM 0 H ALA A 110 -7.643 -5.281 -8.219 1.00 0.00 H new ATOM 0 HA ALA A 110 -5.072 -4.445 -7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.988 -4.856 -9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -4.598 -6.363 -8.480 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -5.490 -5.592 -9.814 1.00 0.00 H new ATOM 1136 N GLY A 111 -7.045 -2.604 -7.883 1.00 0.00 N ATOM 1137 CA GLY A 111 -7.522 -1.324 -8.373 1.00 0.00 C ATOM 1138 C GLY A 111 -6.993 -0.157 -7.576 1.00 0.00 C ATOM 1139 O GLY A 111 -6.352 0.741 -8.124 1.00 0.00 O ATOM 0 H GLY A 111 -7.526 -2.951 -7.053 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.229 -1.208 -9.416 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -8.612 -1.313 -8.345 1.00 0.00 H new ATOM 1143 N ALA A 112 -7.244 -0.184 -6.278 1.00 0.00 N ATOM 1144 CA ALA A 112 -6.807 0.872 -5.370 1.00 0.00 C ATOM 1145 C ALA A 112 -7.104 0.482 -3.934 1.00 0.00 C ATOM 1146 O ALA A 112 -8.128 -0.139 -3.661 1.00 0.00 O ATOM 1147 CB ALA A 112 -7.487 2.197 -5.697 1.00 0.00 C ATOM 0 H ALA A 112 -7.757 -0.938 -5.820 1.00 0.00 H new ATOM 0 HA ALA A 112 -5.732 0.999 -5.496 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.142 2.964 -5.004 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.239 2.491 -6.717 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -8.567 2.084 -5.604 1.00 0.00 H new ATOM 1153 N VAL A 113 -6.209 0.841 -3.026 1.00 0.00 N ATOM 1154 CA VAL A 113 -6.380 0.521 -1.619 1.00 0.00 C ATOM 1155 C VAL A 113 -6.922 1.717 -0.850 1.00 0.00 C ATOM 1156 O VAL A 113 -6.649 2.865 -1.188 1.00 0.00 O ATOM 1157 CB VAL A 113 -5.057 0.059 -0.967 1.00 0.00 C ATOM 1158 CG1 VAL A 113 -5.292 -0.465 0.448 1.00 0.00 C ATOM 1159 CG2 VAL A 113 -4.394 -1.004 -1.824 1.00 0.00 C ATOM 0 H VAL A 113 -5.355 1.356 -3.240 1.00 0.00 H new ATOM 0 HA VAL A 113 -7.096 -0.299 -1.571 1.00 0.00 H new ATOM 0 HB VAL A 113 -4.394 0.921 -0.898 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -4.343 -0.783 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -5.724 0.325 1.062 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.977 -1.313 0.413 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -3.463 -1.321 -1.354 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.061 -1.860 -1.922 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.181 -0.595 -2.811 1.00 0.00 H new ATOM 1169 N LYS A 114 -7.658 1.428 0.200 1.00 0.00 N ATOM 1170 CA LYS A 114 -8.211 2.429 1.088 1.00 0.00 C ATOM 1171 C LYS A 114 -8.164 1.878 2.504 1.00 0.00 C ATOM 1172 O LYS A 114 -8.327 0.671 2.690 1.00 0.00 O ATOM 1173 CB LYS A 114 -9.658 2.735 0.696 1.00 0.00 C ATOM 1174 CG LYS A 114 -10.391 3.598 1.707 1.00 0.00 C ATOM 1175 CD LYS A 114 -11.881 3.665 1.423 1.00 0.00 C ATOM 1176 CE LYS A 114 -12.609 4.437 2.510 1.00 0.00 C ATOM 1177 NZ LYS A 114 -14.079 4.441 2.304 1.00 0.00 N ATOM 0 H LYS A 114 -7.894 0.472 0.467 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.635 3.352 1.021 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -9.665 3.237 -0.271 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -10.198 1.797 0.572 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -10.230 3.199 2.709 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.974 4.605 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -12.050 4.143 0.458 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -12.287 2.656 1.355 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -12.381 3.997 3.481 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -12.244 5.464 2.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.535 4.979 3.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -14.300 4.884 1.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -14.433 3.463 2.310 1.00 0.00 H new ATOM 1191 N LEU A 115 -7.857 2.722 3.487 1.00 0.00 N ATOM 1192 CA LEU A 115 -7.804 2.257 4.873 1.00 0.00 C ATOM 1193 C LEU A 115 -9.099 1.549 5.237 1.00 0.00 C ATOM 1194 O LEU A 115 -10.182 2.110 5.060 1.00 0.00 O ATOM 1195 CB LEU A 115 -7.619 3.412 5.873 1.00 0.00 C ATOM 1196 CG LEU A 115 -6.214 3.969 6.026 1.00 0.00 C ATOM 1197 CD1 LEU A 115 -5.199 2.845 6.147 1.00 0.00 C ATOM 1198 CD2 LEU A 115 -5.892 4.894 4.880 1.00 0.00 C ATOM 0 H LEU A 115 -7.645 3.711 3.356 1.00 0.00 H new ATOM 0 HA LEU A 115 -6.948 1.585 4.938 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -8.277 4.228 5.574 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -7.957 3.071 6.851 1.00 0.00 H new ATOM 0 HG LEU A 115 -6.163 4.550 6.947 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -4.200 3.267 6.256 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -5.433 2.236 7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -5.235 2.224 5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -4.882 5.286 5.002 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -5.957 4.346 3.940 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.603 5.720 4.868 1.00 0.00 H new ATOM 1210 N ALA A 116 -8.993 0.367 5.821 1.00 0.00 N ATOM 1211 CA ALA A 116 -10.179 -0.306 6.308 1.00 0.00 C ATOM 1212 C ALA A 116 -10.727 0.437 7.505 1.00 0.00 C ATOM 1213 O ALA A 116 -10.044 0.623 8.513 1.00 0.00 O ATOM 1214 CB ALA A 116 -9.922 -1.751 6.670 1.00 0.00 C ATOM 0 H ALA A 116 -8.117 -0.135 5.966 1.00 0.00 H new ATOM 0 HA ALA A 116 -10.909 -0.306 5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -10.845 -2.206 7.029 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.570 -2.290 5.790 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -9.165 -1.801 7.453 1.00 0.00 H new