USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 732 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 33 SER OG : rot 36:sc= 0.298 USER MOD Single : A 34 TYR OH : rot 180:sc= 0.327 USER MOD Single : A 46 ASN : amide:sc= -2.42! C(o=-2.4!,f=-13!) USER MOD Single : A 48 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.14) USER MOD Single : A 49 SER OG : rot -89:sc= 0.783 USER MOD Single : A 50 SER OG : rot -60:sc= 0.226 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 55 TYR OH : rot -97:sc= -0.525 USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.00563) USER MOD Single : A 72 THR OG1 : rot 168:sc= 0.956 USER MOD Single : A 74 LYS NZ :NH3+ -158:sc= -0.802 (180deg=-1.63!) USER MOD Single : A 77 SER OG : rot 180:sc= -0.186 USER MOD Single : A 79 THR OG1 : rot -151:sc= -0.582 USER MOD Single : A 81 LYS NZ :NH3+ -133:sc= 0.815 (180deg=-0.634) USER MOD Single : A 83 THR OG1 : rot 150:sc= 0.0015 USER MOD Single : A 89 THR OG1 : rot -65:sc= 0.447 USER MOD Single : A 91 GLN : amide:sc= 0.00252 X(o=0.0025,f=-0.054) USER MOD Single : A 99 LYS NZ :NH3+ -176:sc= 0.753 (180deg=0.744) USER MOD Single : A 101 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 110 THR OG1 : rot 29:sc= 0.04 USER MOD Single : A 112 THR OG1 : rot 25:sc= 0.904 USER MOD Single : A 115 GLN : amide:sc= 0.286 X(o=0.29,f=0) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 THR OG1 : rot 180:sc= 0 USER MOD Single : A 125 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 101 N SER A 33 11.571 5.505 2.167 1.00 0.00 N ATOM 102 CA SER A 33 11.392 4.299 3.025 1.00 0.00 C ATOM 103 C SER A 33 10.466 3.290 2.345 1.00 0.00 C ATOM 104 O SER A 33 9.777 3.604 1.392 1.00 0.00 O ATOM 105 CB SER A 33 10.758 4.819 4.314 1.00 0.00 C ATOM 106 OG SER A 33 11.583 5.836 4.865 1.00 0.00 O ATOM 0 HA SER A 33 12.336 3.786 3.210 1.00 0.00 H new ATOM 0 HB2 SER A 33 9.762 5.213 4.110 1.00 0.00 H new ATOM 0 HB3 SER A 33 10.638 4.005 5.029 1.00 0.00 H new ATOM 0 HG SER A 33 11.985 6.360 4.141 1.00 0.00 H new ATOM 112 N TYR A 34 10.443 2.080 2.840 1.00 0.00 N ATOM 113 CA TYR A 34 9.557 1.033 2.244 1.00 0.00 C ATOM 114 C TYR A 34 8.087 1.447 2.389 1.00 0.00 C ATOM 115 O TYR A 34 7.280 1.206 1.512 1.00 0.00 O ATOM 116 CB TYR A 34 9.848 -0.242 3.042 1.00 0.00 C ATOM 117 CG TYR A 34 8.900 -1.342 2.620 1.00 0.00 C ATOM 118 CD1 TYR A 34 9.188 -2.122 1.494 1.00 0.00 C ATOM 119 CD2 TYR A 34 7.734 -1.579 3.358 1.00 0.00 C ATOM 120 CE1 TYR A 34 8.309 -3.138 1.102 1.00 0.00 C ATOM 121 CE2 TYR A 34 6.854 -2.594 2.968 1.00 0.00 C ATOM 122 CZ TYR A 34 7.140 -3.374 1.840 1.00 0.00 C ATOM 123 OH TYR A 34 6.270 -4.376 1.456 1.00 0.00 O ATOM 0 H TYR A 34 11.002 1.770 3.635 1.00 0.00 H new ATOM 0 HA TYR A 34 9.742 0.888 1.180 1.00 0.00 H new ATOM 0 HB2 TYR A 34 10.879 -0.556 2.879 1.00 0.00 H new ATOM 0 HB3 TYR A 34 9.740 -0.046 4.109 1.00 0.00 H new ATOM 0 HD1 TYR A 34 10.089 -1.940 0.927 1.00 0.00 H new ATOM 0 HD2 TYR A 34 7.514 -0.978 4.228 1.00 0.00 H new ATOM 0 HE1 TYR A 34 8.531 -3.739 0.233 1.00 0.00 H new ATOM 0 HE2 TYR A 34 5.954 -2.776 3.537 1.00 0.00 H new ATOM 0 HH TYR A 34 5.512 -4.406 2.076 1.00 0.00 H new ATOM 133 N ARG A 35 7.740 2.080 3.484 1.00 0.00 N ATOM 134 CA ARG A 35 6.324 2.524 3.683 1.00 0.00 C ATOM 135 C ARG A 35 5.940 3.534 2.596 1.00 0.00 C ATOM 136 O ARG A 35 4.850 3.493 2.054 1.00 0.00 O ATOM 137 CB ARG A 35 6.303 3.180 5.069 1.00 0.00 C ATOM 138 CG ARG A 35 4.893 3.690 5.385 1.00 0.00 C ATOM 139 CD ARG A 35 4.000 2.516 5.798 1.00 0.00 C ATOM 140 NE ARG A 35 2.667 3.126 6.068 1.00 0.00 N ATOM 141 CZ ARG A 35 2.222 3.211 7.293 1.00 0.00 C ATOM 142 NH1 ARG A 35 1.866 2.129 7.936 1.00 0.00 N ATOM 143 NH2 ARG A 35 2.137 4.378 7.876 1.00 0.00 N ATOM 0 H ARG A 35 8.376 2.308 4.248 1.00 0.00 H new ATOM 0 HA ARG A 35 5.613 1.700 3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.617 2.461 5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.013 4.006 5.100 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.934 4.428 6.186 1.00 0.00 H new ATOM 0 HG3 ARG A 35 4.473 4.190 4.512 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.940 1.768 5.007 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.391 2.014 6.683 1.00 0.00 H new ATOM 0 HE ARG A 35 2.102 3.477 5.295 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.936 1.219 7.481 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.518 2.195 8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.418 5.220 7.374 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.790 4.446 8.833 1.00 0.00 H new ATOM 157 N GLU A 36 6.839 4.431 2.266 1.00 0.00 N ATOM 158 CA GLU A 36 6.546 5.443 1.205 1.00 0.00 C ATOM 159 C GLU A 36 6.475 4.754 -0.160 1.00 0.00 C ATOM 160 O GLU A 36 5.668 5.106 -1.000 1.00 0.00 O ATOM 161 CB GLU A 36 7.716 6.435 1.253 1.00 0.00 C ATOM 162 CG GLU A 36 7.698 7.201 2.582 1.00 0.00 C ATOM 163 CD GLU A 36 6.613 8.281 2.545 1.00 0.00 C ATOM 164 OE1 GLU A 36 6.906 9.373 2.089 1.00 0.00 O ATOM 165 OE2 GLU A 36 5.506 7.996 2.976 1.00 0.00 O ATOM 0 H GLU A 36 7.765 4.505 2.688 1.00 0.00 H new ATOM 0 HA GLU A 36 5.592 5.946 1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.661 5.902 1.143 1.00 0.00 H new ATOM 0 HB3 GLU A 36 7.646 7.134 0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 36 7.511 6.513 3.406 1.00 0.00 H new ATOM 0 HG3 GLU A 36 8.671 7.657 2.762 1.00 0.00 H new ATOM 172 N ALA A 37 7.310 3.764 -0.379 1.00 0.00 N ATOM 173 CA ALA A 37 7.291 3.032 -1.681 1.00 0.00 C ATOM 174 C ALA A 37 5.965 2.277 -1.834 1.00 0.00 C ATOM 175 O ALA A 37 5.412 2.197 -2.915 1.00 0.00 O ATOM 176 CB ALA A 37 8.467 2.053 -1.612 1.00 0.00 C ATOM 0 H ALA A 37 8.004 3.433 0.291 1.00 0.00 H new ATOM 0 HA ALA A 37 7.379 3.703 -2.535 1.00 0.00 H new ATOM 0 HB1 ALA A 37 8.517 1.478 -2.537 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.395 2.608 -1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 37 8.327 1.375 -0.770 1.00 0.00 H new ATOM 182 N VAL A 38 5.446 1.737 -0.755 1.00 0.00 N ATOM 183 CA VAL A 38 4.146 1.001 -0.830 1.00 0.00 C ATOM 184 C VAL A 38 3.022 1.983 -1.173 1.00 0.00 C ATOM 185 O VAL A 38 2.188 1.707 -2.013 1.00 0.00 O ATOM 186 CB VAL A 38 3.930 0.400 0.566 1.00 0.00 C ATOM 187 CG1 VAL A 38 2.553 -0.268 0.628 1.00 0.00 C ATOM 188 CG2 VAL A 38 5.012 -0.645 0.854 1.00 0.00 C ATOM 0 H VAL A 38 5.868 1.775 0.173 1.00 0.00 H new ATOM 0 HA VAL A 38 4.152 0.227 -1.597 1.00 0.00 H new ATOM 0 HB VAL A 38 3.987 1.194 1.310 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.400 -0.695 1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 38 1.780 0.474 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.498 -1.059 -0.120 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.854 -1.068 1.846 1.00 0.00 H new ATOM 0 HG22 VAL A 38 4.959 -1.438 0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.994 -0.173 0.813 1.00 0.00 H new ATOM 198 N LEU A 39 3.005 3.132 -0.538 1.00 0.00 N ATOM 199 CA LEU A 39 1.946 4.145 -0.836 1.00 0.00 C ATOM 200 C LEU A 39 1.997 4.519 -2.320 1.00 0.00 C ATOM 201 O LEU A 39 0.980 4.627 -2.976 1.00 0.00 O ATOM 202 CB LEU A 39 2.283 5.360 0.035 1.00 0.00 C ATOM 203 CG LEU A 39 1.935 5.064 1.496 1.00 0.00 C ATOM 204 CD1 LEU A 39 2.798 5.932 2.414 1.00 0.00 C ATOM 205 CD2 LEU A 39 0.457 5.377 1.743 1.00 0.00 C ATOM 0 H LEU A 39 3.680 3.410 0.174 1.00 0.00 H new ATOM 0 HA LEU A 39 0.944 3.770 -0.626 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.342 5.600 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.728 6.232 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 39 2.125 4.012 1.707 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.549 5.721 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.851 5.710 2.240 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.609 6.985 2.203 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.209 5.166 2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.268 6.429 1.531 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.160 4.759 1.091 1.00 0.00 H new ATOM 217 N ARG A 40 3.181 4.695 -2.852 1.00 0.00 N ATOM 218 CA ARG A 40 3.311 5.039 -4.299 1.00 0.00 C ATOM 219 C ARG A 40 2.916 3.828 -5.152 1.00 0.00 C ATOM 220 O ARG A 40 2.208 3.953 -6.133 1.00 0.00 O ATOM 221 CB ARG A 40 4.792 5.382 -4.499 1.00 0.00 C ATOM 222 CG ARG A 40 5.094 6.752 -3.883 1.00 0.00 C ATOM 223 CD ARG A 40 5.565 7.712 -4.979 1.00 0.00 C ATOM 224 NE ARG A 40 5.469 9.072 -4.375 1.00 0.00 N ATOM 225 CZ ARG A 40 6.140 10.066 -4.895 1.00 0.00 C ATOM 226 NH1 ARG A 40 5.774 10.567 -6.046 1.00 0.00 N ATOM 227 NH2 ARG A 40 7.176 10.557 -4.267 1.00 0.00 N ATOM 0 H ARG A 40 4.063 4.615 -2.345 1.00 0.00 H new ATOM 0 HA ARG A 40 2.666 5.867 -4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 40 5.417 4.619 -4.036 1.00 0.00 H new ATOM 0 HB3 ARG A 40 5.033 5.390 -5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 40 4.203 7.148 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 40 5.861 6.656 -3.115 1.00 0.00 H new ATOM 0 HD2 ARG A 40 6.587 7.489 -5.286 1.00 0.00 H new ATOM 0 HD3 ARG A 40 4.940 7.631 -5.869 1.00 0.00 H new ATOM 0 HE ARG A 40 4.880 9.227 -3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 40 4.966 10.182 -6.536 1.00 0.00 H new ATOM 0 HH12 ARG A 40 6.296 11.343 -6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 40 7.462 10.164 -3.370 1.00 0.00 H new ATOM 0 HH22 ARG A 40 7.699 11.333 -4.674 1.00 0.00 H new ATOM 241 N ALA A 41 3.367 2.655 -4.772 1.00 0.00 N ATOM 242 CA ALA A 41 3.019 1.423 -5.541 1.00 0.00 C ATOM 243 C ALA A 41 1.509 1.166 -5.469 1.00 0.00 C ATOM 244 O ALA A 41 0.880 0.873 -6.466 1.00 0.00 O ATOM 245 CB ALA A 41 3.789 0.290 -4.859 1.00 0.00 C ATOM 0 H ALA A 41 3.963 2.501 -3.959 1.00 0.00 H new ATOM 0 HA ALA A 41 3.279 1.510 -6.596 1.00 0.00 H new ATOM 0 HB1 ALA A 41 3.582 -0.650 -5.371 1.00 0.00 H new ATOM 0 HB2 ALA A 41 4.858 0.499 -4.902 1.00 0.00 H new ATOM 0 HB3 ALA A 41 3.476 0.213 -3.818 1.00 0.00 H new ATOM 251 N VAL A 42 0.926 1.282 -4.298 1.00 0.00 N ATOM 252 CA VAL A 42 -0.546 1.051 -4.161 1.00 0.00 C ATOM 253 C VAL A 42 -1.323 2.057 -5.022 1.00 0.00 C ATOM 254 O VAL A 42 -2.337 1.724 -5.609 1.00 0.00 O ATOM 255 CB VAL A 42 -0.846 1.245 -2.667 1.00 0.00 C ATOM 256 CG1 VAL A 42 -2.343 1.509 -2.457 1.00 0.00 C ATOM 257 CG2 VAL A 42 -0.447 -0.019 -1.903 1.00 0.00 C ATOM 0 H VAL A 42 1.407 1.527 -3.433 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.845 0.059 -4.500 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.278 2.099 -2.299 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.543 1.645 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.633 2.409 -2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.918 0.661 -2.829 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.658 0.115 -0.842 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.016 -0.868 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.618 -0.206 -2.040 1.00 0.00 H new ATOM 267 N ASP A 43 -0.849 3.277 -5.114 1.00 0.00 N ATOM 268 CA ASP A 43 -1.554 4.292 -5.953 1.00 0.00 C ATOM 269 C ASP A 43 -1.413 3.922 -7.431 1.00 0.00 C ATOM 270 O ASP A 43 -2.361 3.995 -8.191 1.00 0.00 O ATOM 271 CB ASP A 43 -0.859 5.623 -5.651 1.00 0.00 C ATOM 272 CG ASP A 43 -1.908 6.700 -5.368 1.00 0.00 C ATOM 273 OD1 ASP A 43 -2.724 6.495 -4.484 1.00 0.00 O ATOM 274 OD2 ASP A 43 -1.873 7.714 -6.041 1.00 0.00 O ATOM 0 H ASP A 43 -0.007 3.611 -4.645 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.621 4.347 -5.736 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.197 5.512 -4.792 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.238 5.920 -6.496 1.00 0.00 H new ATOM 279 N ARG A 44 -0.241 3.496 -7.837 1.00 0.00 N ATOM 280 CA ARG A 44 -0.051 3.090 -9.260 1.00 0.00 C ATOM 281 C ARG A 44 -0.803 1.778 -9.509 1.00 0.00 C ATOM 282 O ARG A 44 -1.334 1.555 -10.577 1.00 0.00 O ATOM 283 CB ARG A 44 1.460 2.908 -9.444 1.00 0.00 C ATOM 284 CG ARG A 44 1.978 3.970 -10.417 1.00 0.00 C ATOM 285 CD ARG A 44 3.445 4.294 -10.107 1.00 0.00 C ATOM 286 NE ARG A 44 3.596 5.756 -10.383 1.00 0.00 N ATOM 287 CZ ARG A 44 3.221 6.254 -11.536 1.00 0.00 C ATOM 288 NH1 ARG A 44 3.977 6.107 -12.592 1.00 0.00 N ATOM 289 NH2 ARG A 44 2.087 6.899 -11.629 1.00 0.00 N ATOM 0 H ARG A 44 0.586 3.413 -7.246 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.437 3.827 -9.964 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.969 2.997 -8.484 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.675 1.910 -9.827 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.885 3.612 -11.442 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.373 4.873 -10.338 1.00 0.00 H new ATOM 0 HD2 ARG A 44 3.688 4.063 -9.070 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.118 3.705 -10.730 1.00 0.00 H new ATOM 0 HE ARG A 44 3.993 6.369 -9.671 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.861 5.604 -12.520 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.683 6.496 -13.488 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.496 7.014 -10.805 1.00 0.00 H new ATOM 0 HH22 ARG A 44 1.793 7.287 -12.525 1.00 0.00 H new ATOM 303 N LEU A 45 -0.871 0.923 -8.514 1.00 0.00 N ATOM 304 CA LEU A 45 -1.610 -0.368 -8.662 1.00 0.00 C ATOM 305 C LEU A 45 -3.080 -0.090 -8.998 1.00 0.00 C ATOM 306 O LEU A 45 -3.674 -0.746 -9.832 1.00 0.00 O ATOM 307 CB LEU A 45 -1.491 -1.044 -7.292 1.00 0.00 C ATOM 308 CG LEU A 45 -1.486 -2.564 -7.458 1.00 0.00 C ATOM 309 CD1 LEU A 45 -0.520 -3.182 -6.444 1.00 0.00 C ATOM 310 CD2 LEU A 45 -2.897 -3.106 -7.214 1.00 0.00 C ATOM 0 H LEU A 45 -0.442 1.068 -7.600 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.210 -0.992 -9.462 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.576 -0.721 -6.796 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.322 -0.742 -6.655 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.167 -2.821 -8.468 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.515 -4.266 -6.560 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.484 -2.794 -6.615 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.841 -2.927 -5.434 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.896 -4.190 -7.332 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.215 -2.851 -6.203 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.586 -2.664 -7.933 1.00 0.00 H new ATOM 322 N ASN A 46 -3.661 0.896 -8.354 1.00 0.00 N ATOM 323 CA ASN A 46 -5.089 1.249 -8.629 1.00 0.00 C ATOM 324 C ASN A 46 -5.213 1.832 -10.048 1.00 0.00 C ATOM 325 O ASN A 46 -6.130 1.510 -10.780 1.00 0.00 O ATOM 326 CB ASN A 46 -5.459 2.283 -7.540 1.00 0.00 C ATOM 327 CG ASN A 46 -5.749 3.661 -8.154 1.00 0.00 C ATOM 328 OD1 ASN A 46 -6.707 3.825 -8.882 1.00 0.00 O ATOM 329 ND2 ASN A 46 -4.960 4.666 -7.882 1.00 0.00 N ATOM 0 H ASN A 46 -3.204 1.473 -7.647 1.00 0.00 H new ATOM 0 HA ASN A 46 -5.760 0.391 -8.593 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.333 1.937 -6.989 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.643 2.367 -6.823 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.149 5.586 -8.281 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -4.155 4.531 -7.271 1.00 0.00 H new ATOM 336 N GLU A 47 -4.294 2.687 -10.434 1.00 0.00 N ATOM 337 CA GLU A 47 -4.352 3.295 -11.801 1.00 0.00 C ATOM 338 C GLU A 47 -3.965 2.261 -12.871 1.00 0.00 C ATOM 339 O GLU A 47 -4.457 2.298 -13.981 1.00 0.00 O ATOM 340 CB GLU A 47 -3.341 4.448 -11.774 1.00 0.00 C ATOM 341 CG GLU A 47 -3.909 5.650 -12.538 1.00 0.00 C ATOM 342 CD GLU A 47 -3.405 6.951 -11.905 1.00 0.00 C ATOM 343 OE1 GLU A 47 -4.073 7.452 -11.012 1.00 0.00 O ATOM 344 OE2 GLU A 47 -2.362 7.427 -12.327 1.00 0.00 O ATOM 0 H GLU A 47 -3.507 2.989 -9.860 1.00 0.00 H new ATOM 0 HA GLU A 47 -5.356 3.640 -12.049 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.123 4.729 -10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.400 4.130 -12.224 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.608 5.603 -13.584 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.999 5.623 -12.519 1.00 0.00 H new ATOM 351 N GLN A 48 -3.088 1.338 -12.542 1.00 0.00 N ATOM 352 CA GLN A 48 -2.671 0.301 -13.540 1.00 0.00 C ATOM 353 C GLN A 48 -3.866 -0.578 -13.928 1.00 0.00 C ATOM 354 O GLN A 48 -4.009 -0.969 -15.070 1.00 0.00 O ATOM 355 CB GLN A 48 -1.599 -0.537 -12.837 1.00 0.00 C ATOM 356 CG GLN A 48 -0.564 -1.013 -13.860 1.00 0.00 C ATOM 357 CD GLN A 48 0.302 0.171 -14.301 1.00 0.00 C ATOM 358 OE1 GLN A 48 0.286 0.552 -15.454 1.00 0.00 O ATOM 359 NE2 GLN A 48 1.064 0.774 -13.428 1.00 0.00 N ATOM 0 H GLN A 48 -2.645 1.259 -11.627 1.00 0.00 H new ATOM 0 HA GLN A 48 -2.294 0.752 -14.458 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -1.113 0.054 -12.061 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -2.058 -1.394 -12.344 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.062 -1.792 -13.424 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -1.065 -1.452 -14.723 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.079 0.456 -12.459 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.643 1.563 -13.715 1.00 0.00 H new ATOM 368 N SER A 49 -4.725 -0.888 -12.987 1.00 0.00 N ATOM 369 CA SER A 49 -5.913 -1.734 -13.303 1.00 0.00 C ATOM 370 C SER A 49 -7.061 -0.862 -13.823 1.00 0.00 C ATOM 371 O SER A 49 -6.902 0.325 -14.042 1.00 0.00 O ATOM 372 CB SER A 49 -6.298 -2.396 -11.976 1.00 0.00 C ATOM 373 OG SER A 49 -6.661 -3.751 -12.214 1.00 0.00 O ATOM 0 H SER A 49 -4.653 -0.590 -12.014 1.00 0.00 H new ATOM 0 HA SER A 49 -5.699 -2.471 -14.077 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.463 -2.349 -11.277 1.00 0.00 H new ATOM 0 HB3 SER A 49 -7.129 -1.860 -11.517 1.00 0.00 H new ATOM 0 HG SER A 49 -7.620 -3.804 -12.407 1.00 0.00 H new ATOM 379 N SER A 50 -8.213 -1.445 -14.014 1.00 0.00 N ATOM 380 CA SER A 50 -9.385 -0.669 -14.513 1.00 0.00 C ATOM 381 C SER A 50 -10.662 -1.200 -13.855 1.00 0.00 C ATOM 382 O SER A 50 -11.592 -1.621 -14.520 1.00 0.00 O ATOM 383 CB SER A 50 -9.403 -0.909 -16.024 1.00 0.00 C ATOM 384 OG SER A 50 -10.438 -0.130 -16.611 1.00 0.00 O ATOM 0 H SER A 50 -8.394 -2.434 -13.844 1.00 0.00 H new ATOM 0 HA SER A 50 -9.323 0.394 -14.281 1.00 0.00 H new ATOM 0 HB2 SER A 50 -8.440 -0.641 -16.458 1.00 0.00 H new ATOM 0 HB3 SER A 50 -9.564 -1.966 -16.234 1.00 0.00 H new ATOM 0 HG SER A 50 -11.301 -0.387 -16.224 1.00 0.00 H new ATOM 390 N GLU A 51 -10.705 -1.198 -12.547 1.00 0.00 N ATOM 391 CA GLU A 51 -11.908 -1.717 -11.833 1.00 0.00 C ATOM 392 C GLU A 51 -12.945 -0.606 -11.631 1.00 0.00 C ATOM 393 O GLU A 51 -12.669 0.562 -11.834 1.00 0.00 O ATOM 394 CB GLU A 51 -11.395 -2.225 -10.480 1.00 0.00 C ATOM 395 CG GLU A 51 -10.201 -3.182 -10.662 1.00 0.00 C ATOM 396 CD GLU A 51 -10.380 -4.043 -11.919 1.00 0.00 C ATOM 397 OE1 GLU A 51 -11.398 -4.708 -12.024 1.00 0.00 O ATOM 398 OE2 GLU A 51 -9.490 -4.023 -12.754 1.00 0.00 O ATOM 0 H GLU A 51 -9.957 -0.858 -11.943 1.00 0.00 H new ATOM 0 HA GLU A 51 -12.402 -2.505 -12.402 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.096 -1.380 -9.860 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.199 -2.738 -9.952 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.277 -2.608 -10.737 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.107 -3.824 -9.786 1.00 0.00 H new ATOM 405 N ALA A 52 -14.140 -0.970 -11.233 1.00 0.00 N ATOM 406 CA ALA A 52 -15.213 0.049 -11.018 1.00 0.00 C ATOM 407 C ALA A 52 -14.878 0.953 -9.825 1.00 0.00 C ATOM 408 O ALA A 52 -14.852 2.164 -9.949 1.00 0.00 O ATOM 409 CB ALA A 52 -16.482 -0.762 -10.739 1.00 0.00 C ATOM 0 H ALA A 52 -14.419 -1.933 -11.047 1.00 0.00 H new ATOM 0 HA ALA A 52 -15.327 0.706 -11.880 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.318 -0.083 -10.570 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.701 -1.401 -11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.332 -1.380 -9.854 1.00 0.00 H new ATOM 415 N ASN A 53 -14.634 0.382 -8.669 1.00 0.00 N ATOM 416 CA ASN A 53 -14.317 1.220 -7.472 1.00 0.00 C ATOM 417 C ASN A 53 -12.812 1.227 -7.174 1.00 0.00 C ATOM 418 O ASN A 53 -12.064 0.387 -7.643 1.00 0.00 O ATOM 419 CB ASN A 53 -15.093 0.581 -6.315 1.00 0.00 C ATOM 420 CG ASN A 53 -16.261 1.491 -5.928 1.00 0.00 C ATOM 421 OD1 ASN A 53 -16.057 2.567 -5.400 1.00 0.00 O ATOM 422 ND2 ASN A 53 -17.484 1.107 -6.173 1.00 0.00 N ATOM 0 H ASN A 53 -14.641 -0.625 -8.504 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.598 2.261 -7.631 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -15.464 -0.401 -6.609 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.435 0.431 -5.459 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -18.268 1.709 -5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -17.656 0.204 -6.616 1.00 0.00 H new ATOM 429 N LEU A 54 -12.373 2.186 -6.391 1.00 0.00 N ATOM 430 CA LEU A 54 -10.921 2.290 -6.038 1.00 0.00 C ATOM 431 C LEU A 54 -10.557 1.290 -4.934 1.00 0.00 C ATOM 432 O LEU A 54 -11.418 0.712 -4.297 1.00 0.00 O ATOM 433 CB LEU A 54 -10.733 3.726 -5.530 1.00 0.00 C ATOM 434 CG LEU A 54 -10.069 4.577 -6.614 1.00 0.00 C ATOM 435 CD1 LEU A 54 -10.113 6.050 -6.205 1.00 0.00 C ATOM 436 CD2 LEU A 54 -8.612 4.144 -6.784 1.00 0.00 C ATOM 0 H LEU A 54 -12.965 2.907 -5.978 1.00 0.00 H new ATOM 0 HA LEU A 54 -10.282 2.066 -6.892 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -11.698 4.155 -5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -10.120 3.725 -4.629 1.00 0.00 H new ATOM 0 HG LEU A 54 -10.602 4.442 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -9.640 6.656 -6.977 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -11.150 6.363 -6.083 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.581 6.182 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -8.140 4.751 -7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.080 4.278 -5.842 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -8.576 3.094 -7.075 1.00 0.00 H new ATOM 448 N TYR A 55 -9.282 1.088 -4.702 1.00 0.00 N ATOM 449 CA TYR A 55 -8.850 0.128 -3.642 1.00 0.00 C ATOM 450 C TYR A 55 -7.661 0.692 -2.859 1.00 0.00 C ATOM 451 O TYR A 55 -6.521 0.569 -3.268 1.00 0.00 O ATOM 452 CB TYR A 55 -8.439 -1.144 -4.388 1.00 0.00 C ATOM 453 CG TYR A 55 -9.641 -2.038 -4.554 1.00 0.00 C ATOM 454 CD1 TYR A 55 -10.509 -1.847 -5.635 1.00 0.00 C ATOM 455 CD2 TYR A 55 -9.889 -3.052 -3.625 1.00 0.00 C ATOM 456 CE1 TYR A 55 -11.629 -2.672 -5.782 1.00 0.00 C ATOM 457 CE2 TYR A 55 -11.007 -3.877 -3.774 1.00 0.00 C ATOM 458 CZ TYR A 55 -11.879 -3.686 -4.852 1.00 0.00 C ATOM 459 OH TYR A 55 -12.982 -4.499 -5.002 1.00 0.00 O ATOM 0 H TYR A 55 -8.522 1.548 -5.203 1.00 0.00 H new ATOM 0 HA TYR A 55 -9.645 -0.061 -2.921 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -8.024 -0.889 -5.363 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -7.657 -1.666 -3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -10.315 -1.065 -6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.217 -3.198 -2.792 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -12.301 -2.526 -6.614 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -11.198 -4.662 -3.057 1.00 0.00 H new ATOM 0 HH TYR A 55 -13.714 -4.164 -4.443 1.00 0.00 H new ATOM 469 N ARG A 56 -7.921 1.295 -1.730 1.00 0.00 N ATOM 470 CA ARG A 56 -6.809 1.851 -0.903 1.00 0.00 C ATOM 471 C ARG A 56 -6.156 0.716 -0.105 1.00 0.00 C ATOM 472 O ARG A 56 -6.742 -0.337 0.079 1.00 0.00 O ATOM 473 CB ARG A 56 -7.466 2.869 0.033 1.00 0.00 C ATOM 474 CG ARG A 56 -6.415 3.862 0.539 1.00 0.00 C ATOM 475 CD ARG A 56 -6.144 3.611 2.026 1.00 0.00 C ATOM 476 NE ARG A 56 -5.116 4.620 2.406 1.00 0.00 N ATOM 477 CZ ARG A 56 -3.957 4.231 2.871 1.00 0.00 C ATOM 478 NH1 ARG A 56 -3.844 3.863 4.121 1.00 0.00 N ATOM 479 NH2 ARG A 56 -2.911 4.212 2.086 1.00 0.00 N ATOM 0 H ARG A 56 -8.856 1.427 -1.344 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.029 2.318 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -8.259 3.401 -0.492 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.930 2.356 0.875 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.493 3.754 -0.032 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.764 4.884 0.390 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.051 3.730 2.618 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.783 2.597 2.196 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.316 5.615 2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.660 3.879 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.940 3.560 4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -2.999 4.500 1.112 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.007 3.909 2.448 1.00 0.00 H new ATOM 493 N LEU A 57 -4.948 0.915 0.364 1.00 0.00 N ATOM 494 CA LEU A 57 -4.258 -0.163 1.143 1.00 0.00 C ATOM 495 C LEU A 57 -4.972 -0.422 2.473 1.00 0.00 C ATOM 496 O LEU A 57 -5.250 0.488 3.233 1.00 0.00 O ATOM 497 CB LEU A 57 -2.839 0.352 1.393 1.00 0.00 C ATOM 498 CG LEU A 57 -1.976 -0.792 1.937 1.00 0.00 C ATOM 499 CD1 LEU A 57 -0.716 -0.934 1.087 1.00 0.00 C ATOM 500 CD2 LEU A 57 -1.583 -0.493 3.386 1.00 0.00 C ATOM 0 H LEU A 57 -4.411 1.774 0.242 1.00 0.00 H new ATOM 0 HA LEU A 57 -4.259 -1.107 0.598 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.411 0.738 0.468 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.859 1.178 2.104 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.544 -1.721 1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.104 -1.748 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.995 -1.151 0.056 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.147 -0.005 1.121 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.969 -1.307 3.772 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.017 0.438 3.425 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -2.482 -0.397 3.994 1.00 0.00 H new ATOM 512 N LEU A 58 -5.250 -1.668 2.755 1.00 0.00 N ATOM 513 CA LEU A 58 -5.929 -2.031 4.033 1.00 0.00 C ATOM 514 C LEU A 58 -4.880 -2.455 5.070 1.00 0.00 C ATOM 515 O LEU A 58 -4.959 -2.091 6.227 1.00 0.00 O ATOM 516 CB LEU A 58 -6.843 -3.206 3.668 1.00 0.00 C ATOM 517 CG LEU A 58 -7.632 -3.652 4.901 1.00 0.00 C ATOM 518 CD1 LEU A 58 -8.696 -2.603 5.240 1.00 0.00 C ATOM 519 CD2 LEU A 58 -8.313 -4.991 4.612 1.00 0.00 C ATOM 0 H LEU A 58 -5.033 -2.458 2.147 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.490 -1.203 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -7.528 -2.912 2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -6.249 -4.036 3.286 1.00 0.00 H new ATOM 0 HG LEU A 58 -6.951 -3.762 5.745 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -9.256 -2.924 6.118 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -8.213 -1.648 5.446 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -9.377 -2.490 4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -8.875 -5.310 5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.992 -4.879 3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.557 -5.740 4.374 1.00 0.00 H new ATOM 531 N GLU A 59 -3.892 -3.210 4.653 1.00 0.00 N ATOM 532 CA GLU A 59 -2.823 -3.655 5.594 1.00 0.00 C ATOM 533 C GLU A 59 -1.492 -3.786 4.842 1.00 0.00 C ATOM 534 O GLU A 59 -1.465 -4.008 3.645 1.00 0.00 O ATOM 535 CB GLU A 59 -3.288 -5.016 6.118 1.00 0.00 C ATOM 536 CG GLU A 59 -3.381 -4.979 7.646 1.00 0.00 C ATOM 537 CD GLU A 59 -3.999 -6.286 8.149 1.00 0.00 C ATOM 538 OE1 GLU A 59 -3.253 -7.230 8.352 1.00 0.00 O ATOM 539 OE2 GLU A 59 -5.207 -6.321 8.319 1.00 0.00 O ATOM 0 H GLU A 59 -3.782 -3.538 3.693 1.00 0.00 H new ATOM 0 HA GLU A 59 -2.663 -2.948 6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.259 -5.268 5.691 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.591 -5.794 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -2.390 -4.842 8.079 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.987 -4.131 7.964 1.00 0.00 H new ATOM 546 N LEU A 60 -0.389 -3.643 5.532 1.00 0.00 N ATOM 547 CA LEU A 60 0.942 -3.752 4.860 1.00 0.00 C ATOM 548 C LEU A 60 1.650 -5.045 5.272 1.00 0.00 C ATOM 549 O LEU A 60 1.314 -5.662 6.266 1.00 0.00 O ATOM 550 CB LEU A 60 1.731 -2.535 5.348 1.00 0.00 C ATOM 551 CG LEU A 60 2.499 -1.912 4.180 1.00 0.00 C ATOM 552 CD1 LEU A 60 1.700 -0.739 3.611 1.00 0.00 C ATOM 553 CD2 LEU A 60 3.859 -1.411 4.673 1.00 0.00 C ATOM 0 H LEU A 60 -0.352 -3.455 6.534 1.00 0.00 H new ATOM 0 HA LEU A 60 0.850 -3.777 3.774 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.053 -1.801 5.782 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.425 -2.832 6.134 1.00 0.00 H new ATOM 0 HG LEU A 60 2.647 -2.661 3.402 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.247 -0.295 2.779 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.731 -1.095 3.260 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.551 0.011 4.388 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.406 -0.967 3.842 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.711 -0.662 5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 60 4.430 -2.247 5.078 1.00 0.00 H new ATOM 565 N ASP A 61 2.627 -5.454 4.507 1.00 0.00 N ATOM 566 CA ASP A 61 3.374 -6.706 4.829 1.00 0.00 C ATOM 567 C ASP A 61 4.874 -6.414 4.960 1.00 0.00 C ATOM 568 O ASP A 61 5.360 -5.400 4.491 1.00 0.00 O ATOM 569 CB ASP A 61 3.112 -7.630 3.637 1.00 0.00 C ATOM 570 CG ASP A 61 3.658 -9.030 3.931 1.00 0.00 C ATOM 571 OD1 ASP A 61 3.137 -9.675 4.826 1.00 0.00 O ATOM 572 OD2 ASP A 61 4.590 -9.432 3.255 1.00 0.00 O ATOM 0 H ASP A 61 2.942 -4.971 3.666 1.00 0.00 H new ATOM 0 HA ASP A 61 3.056 -7.148 5.773 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.042 -7.683 3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.586 -7.226 2.742 1.00 0.00 H new ATOM 577 N GLN A 62 5.609 -7.300 5.584 1.00 0.00 N ATOM 578 CA GLN A 62 7.077 -7.085 5.741 1.00 0.00 C ATOM 579 C GLN A 62 7.853 -8.165 4.969 1.00 0.00 C ATOM 580 O GLN A 62 8.235 -9.177 5.527 1.00 0.00 O ATOM 581 CB GLN A 62 7.339 -7.190 7.248 1.00 0.00 C ATOM 582 CG GLN A 62 8.541 -6.316 7.620 1.00 0.00 C ATOM 583 CD GLN A 62 8.056 -5.045 8.324 1.00 0.00 C ATOM 584 OE1 GLN A 62 7.369 -4.234 7.734 1.00 0.00 O ATOM 585 NE2 GLN A 62 8.385 -4.835 9.569 1.00 0.00 N ATOM 0 H GLN A 62 5.253 -8.165 5.992 1.00 0.00 H new ATOM 0 HA GLN A 62 7.401 -6.122 5.346 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.458 -6.871 7.804 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.531 -8.227 7.523 1.00 0.00 H new ATOM 0 HG2 GLN A 62 9.217 -6.869 8.272 1.00 0.00 H new ATOM 0 HG3 GLN A 62 9.104 -6.055 6.724 1.00 0.00 H new ATOM 0 HE21 GLN A 62 8.961 -5.514 10.066 1.00 0.00 H new ATOM 0 HE22 GLN A 62 8.066 -3.992 10.046 1.00 0.00 H new ATOM 594 N PRO A 63 8.055 -7.908 3.700 1.00 0.00 N ATOM 595 CA PRO A 63 8.788 -8.862 2.827 1.00 0.00 C ATOM 596 C PRO A 63 10.299 -8.821 3.116 1.00 0.00 C ATOM 597 O PRO A 63 10.764 -7.984 3.870 1.00 0.00 O ATOM 598 CB PRO A 63 8.484 -8.357 1.417 1.00 0.00 C ATOM 599 CG PRO A 63 8.167 -6.906 1.579 1.00 0.00 C ATOM 600 CD PRO A 63 7.622 -6.713 2.967 1.00 0.00 C ATOM 0 HA PRO A 63 8.487 -9.898 2.980 1.00 0.00 H new ATOM 0 HB2 PRO A 63 9.337 -8.502 0.755 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.645 -8.897 0.978 1.00 0.00 H new ATOM 0 HG2 PRO A 63 9.061 -6.300 1.431 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.438 -6.587 0.834 1.00 0.00 H new ATOM 0 HD2 PRO A 63 8.012 -5.804 3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.536 -6.624 2.958 1.00 0.00 H new ATOM 608 N PRO A 64 11.020 -9.735 2.507 1.00 0.00 N ATOM 609 CA PRO A 64 12.495 -9.811 2.706 1.00 0.00 C ATOM 610 C PRO A 64 13.209 -8.638 2.019 1.00 0.00 C ATOM 611 O PRO A 64 12.753 -8.128 1.014 1.00 0.00 O ATOM 612 CB PRO A 64 12.877 -11.137 2.050 1.00 0.00 C ATOM 613 CG PRO A 64 11.799 -11.400 1.048 1.00 0.00 C ATOM 614 CD PRO A 64 10.539 -10.775 1.585 1.00 0.00 C ATOM 0 HA PRO A 64 12.781 -9.756 3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 64 13.854 -11.073 1.571 1.00 0.00 H new ATOM 0 HB3 PRO A 64 12.935 -11.939 2.786 1.00 0.00 H new ATOM 0 HG2 PRO A 64 12.059 -10.973 0.080 1.00 0.00 H new ATOM 0 HG3 PRO A 64 11.665 -12.471 0.898 1.00 0.00 H new ATOM 0 HD2 PRO A 64 9.933 -10.350 0.785 1.00 0.00 H new ATOM 0 HD3 PRO A 64 9.918 -11.508 2.100 1.00 0.00 H new ATOM 622 N LYS A 65 14.332 -8.219 2.560 1.00 0.00 N ATOM 623 CA LYS A 65 15.108 -7.084 1.958 1.00 0.00 C ATOM 624 C LYS A 65 14.200 -5.875 1.694 1.00 0.00 C ATOM 625 O LYS A 65 14.080 -5.404 0.577 1.00 0.00 O ATOM 626 CB LYS A 65 15.683 -7.630 0.643 1.00 0.00 C ATOM 627 CG LYS A 65 16.580 -8.840 0.925 1.00 0.00 C ATOM 628 CD LYS A 65 17.799 -8.402 1.743 1.00 0.00 C ATOM 629 CE LYS A 65 19.028 -9.209 1.312 1.00 0.00 C ATOM 630 NZ LYS A 65 18.862 -10.551 1.947 1.00 0.00 N ATOM 0 H LYS A 65 14.747 -8.619 3.401 1.00 0.00 H new ATOM 0 HA LYS A 65 15.894 -6.737 2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 65 14.872 -7.916 -0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 65 16.255 -6.853 0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.020 -9.601 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.903 -9.291 -0.013 1.00 0.00 H new ATOM 0 HD2 LYS A 65 17.982 -7.337 1.599 1.00 0.00 H new ATOM 0 HD3 LYS A 65 17.608 -8.551 2.806 1.00 0.00 H new ATOM 0 HE2 LYS A 65 19.083 -9.292 0.227 1.00 0.00 H new ATOM 0 HE3 LYS A 65 19.949 -8.729 1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 19.698 -10.766 2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 18.014 -10.548 2.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 18.759 -11.275 1.207 1.00 0.00 H new ATOM 644 N ALA A 66 13.568 -5.374 2.721 1.00 0.00 N ATOM 645 CA ALA A 66 12.666 -4.192 2.553 1.00 0.00 C ATOM 646 C ALA A 66 13.301 -2.927 3.158 1.00 0.00 C ATOM 647 O ALA A 66 12.724 -1.859 3.112 1.00 0.00 O ATOM 648 CB ALA A 66 11.387 -4.561 3.307 1.00 0.00 C ATOM 0 H ALA A 66 13.636 -5.732 3.674 1.00 0.00 H new ATOM 0 HA ALA A 66 12.477 -3.972 1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 66 10.671 -3.742 3.232 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.955 -5.462 2.872 1.00 0.00 H new ATOM 0 HB3 ALA A 66 11.622 -4.742 4.356 1.00 0.00 H new ATOM 654 N ASP A 67 14.482 -3.039 3.725 1.00 0.00 N ATOM 655 CA ASP A 67 15.149 -1.847 4.336 1.00 0.00 C ATOM 656 C ASP A 67 16.570 -1.676 3.783 1.00 0.00 C ATOM 657 O ASP A 67 17.450 -1.170 4.456 1.00 0.00 O ATOM 658 CB ASP A 67 15.181 -2.143 5.841 1.00 0.00 C ATOM 659 CG ASP A 67 15.778 -3.534 6.097 1.00 0.00 C ATOM 660 OD1 ASP A 67 16.989 -3.625 6.229 1.00 0.00 O ATOM 661 OD2 ASP A 67 15.014 -4.486 6.156 1.00 0.00 O ATOM 0 H ASP A 67 15.012 -3.908 3.790 1.00 0.00 H new ATOM 0 HA ASP A 67 14.620 -0.921 4.112 1.00 0.00 H new ATOM 0 HB2 ASP A 67 15.773 -1.385 6.355 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.172 -2.092 6.250 1.00 0.00 H new ATOM 666 N GLU A 68 16.794 -2.089 2.562 1.00 0.00 N ATOM 667 CA GLU A 68 18.153 -1.954 1.951 1.00 0.00 C ATOM 668 C GLU A 68 18.090 -2.200 0.438 1.00 0.00 C ATOM 669 O GLU A 68 17.036 -2.462 -0.113 1.00 0.00 O ATOM 670 CB GLU A 68 19.008 -3.031 2.631 1.00 0.00 C ATOM 671 CG GLU A 68 20.173 -2.370 3.374 1.00 0.00 C ATOM 672 CD GLU A 68 21.272 -1.993 2.378 1.00 0.00 C ATOM 673 OE1 GLU A 68 22.079 -2.851 2.064 1.00 0.00 O ATOM 674 OE2 GLU A 68 21.283 -0.853 1.944 1.00 0.00 O ATOM 0 H GLU A 68 16.092 -2.516 1.958 1.00 0.00 H new ATOM 0 HA GLU A 68 18.564 -0.955 2.092 1.00 0.00 H new ATOM 0 HB2 GLU A 68 18.399 -3.607 3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 68 19.388 -3.731 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 68 19.824 -1.481 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 68 20.569 -3.051 4.127 1.00 0.00 H new ATOM 681 N ASP A 69 19.219 -2.116 -0.234 1.00 0.00 N ATOM 682 CA ASP A 69 19.265 -2.342 -1.717 1.00 0.00 C ATOM 683 C ASP A 69 18.297 -1.395 -2.441 1.00 0.00 C ATOM 684 O ASP A 69 17.251 -1.806 -2.908 1.00 0.00 O ATOM 685 CB ASP A 69 18.860 -3.808 -1.916 1.00 0.00 C ATOM 686 CG ASP A 69 20.091 -4.703 -1.770 1.00 0.00 C ATOM 687 OD1 ASP A 69 20.491 -4.948 -0.644 1.00 0.00 O ATOM 688 OD2 ASP A 69 20.613 -5.129 -2.788 1.00 0.00 O ATOM 0 H ASP A 69 20.121 -1.898 0.189 1.00 0.00 H new ATOM 0 HA ASP A 69 20.253 -2.141 -2.130 1.00 0.00 H new ATOM 0 HB2 ASP A 69 18.104 -4.090 -1.183 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.415 -3.942 -2.902 1.00 0.00 H new ATOM 693 N PRO A 70 18.688 -0.146 -2.502 1.00 0.00 N ATOM 694 CA PRO A 70 17.852 0.891 -3.161 1.00 0.00 C ATOM 695 C PRO A 70 17.871 0.735 -4.688 1.00 0.00 C ATOM 696 O PRO A 70 16.834 0.707 -5.321 1.00 0.00 O ATOM 697 CB PRO A 70 18.500 2.204 -2.723 1.00 0.00 C ATOM 698 CG PRO A 70 19.920 1.854 -2.397 1.00 0.00 C ATOM 699 CD PRO A 70 19.938 0.408 -1.969 1.00 0.00 C ATOM 0 HA PRO A 70 16.800 0.828 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 70 18.451 2.951 -3.516 1.00 0.00 H new ATOM 0 HB3 PRO A 70 17.990 2.625 -1.857 1.00 0.00 H new ATOM 0 HG2 PRO A 70 20.562 2.006 -3.264 1.00 0.00 H new ATOM 0 HG3 PRO A 70 20.301 2.495 -1.602 1.00 0.00 H new ATOM 0 HD2 PRO A 70 20.807 -0.114 -2.370 1.00 0.00 H new ATOM 0 HD3 PRO A 70 19.983 0.315 -0.884 1.00 0.00 H new ATOM 707 N GLY A 71 19.037 0.626 -5.283 1.00 0.00 N ATOM 708 CA GLY A 71 19.113 0.462 -6.766 1.00 0.00 C ATOM 709 C GLY A 71 18.417 -0.843 -7.169 1.00 0.00 C ATOM 710 O GLY A 71 17.711 -0.901 -8.158 1.00 0.00 O ATOM 0 H GLY A 71 19.937 0.644 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 71 18.638 1.309 -7.262 1.00 0.00 H new ATOM 0 HA3 GLY A 71 20.154 0.447 -7.089 1.00 0.00 H new ATOM 714 N THR A 72 18.605 -1.886 -6.400 1.00 0.00 N ATOM 715 CA THR A 72 17.953 -3.194 -6.719 1.00 0.00 C ATOM 716 C THR A 72 16.440 -3.091 -6.467 1.00 0.00 C ATOM 717 O THR A 72 15.994 -2.227 -5.735 1.00 0.00 O ATOM 718 CB THR A 72 18.591 -4.229 -5.766 1.00 0.00 C ATOM 719 OG1 THR A 72 19.707 -3.656 -5.089 1.00 0.00 O ATOM 720 CG2 THR A 72 19.061 -5.445 -6.567 1.00 0.00 C ATOM 0 H THR A 72 19.185 -1.888 -5.561 1.00 0.00 H new ATOM 0 HA THR A 72 18.095 -3.479 -7.762 1.00 0.00 H new ATOM 0 HB THR A 72 17.845 -4.535 -5.033 1.00 0.00 H new ATOM 0 HG1 THR A 72 19.977 -4.241 -4.351 1.00 0.00 H new ATOM 0 HG21 THR A 72 19.511 -6.173 -5.892 1.00 0.00 H new ATOM 0 HG22 THR A 72 18.209 -5.898 -7.074 1.00 0.00 H new ATOM 0 HG23 THR A 72 19.798 -5.131 -7.306 1.00 0.00 H new ATOM 728 N PRO A 73 15.692 -3.977 -7.085 1.00 0.00 N ATOM 729 CA PRO A 73 14.214 -3.975 -6.920 1.00 0.00 C ATOM 730 C PRO A 73 13.826 -4.425 -5.504 1.00 0.00 C ATOM 731 O PRO A 73 14.273 -5.448 -5.021 1.00 0.00 O ATOM 732 CB PRO A 73 13.734 -4.975 -7.970 1.00 0.00 C ATOM 733 CG PRO A 73 14.901 -5.877 -8.205 1.00 0.00 C ATOM 734 CD PRO A 73 16.142 -5.051 -7.981 1.00 0.00 C ATOM 0 HA PRO A 73 13.770 -2.988 -7.049 1.00 0.00 H new ATOM 0 HB2 PRO A 73 12.868 -5.534 -7.616 1.00 0.00 H new ATOM 0 HB3 PRO A 73 13.434 -4.470 -8.888 1.00 0.00 H new ATOM 0 HG2 PRO A 73 14.875 -6.728 -7.524 1.00 0.00 H new ATOM 0 HG3 PRO A 73 14.881 -6.278 -9.218 1.00 0.00 H new ATOM 0 HD2 PRO A 73 16.939 -5.641 -7.529 1.00 0.00 H new ATOM 0 HD3 PRO A 73 16.532 -4.653 -8.918 1.00 0.00 H new ATOM 742 N LYS A 74 12.993 -3.665 -4.842 1.00 0.00 N ATOM 743 CA LYS A 74 12.558 -4.027 -3.463 1.00 0.00 C ATOM 744 C LYS A 74 11.212 -4.753 -3.511 1.00 0.00 C ATOM 745 O LYS A 74 10.240 -4.218 -4.011 1.00 0.00 O ATOM 746 CB LYS A 74 12.418 -2.692 -2.726 1.00 0.00 C ATOM 747 CG LYS A 74 12.450 -2.932 -1.215 1.00 0.00 C ATOM 748 CD LYS A 74 13.841 -2.593 -0.672 1.00 0.00 C ATOM 749 CE LYS A 74 14.031 -1.072 -0.654 1.00 0.00 C ATOM 750 NZ LYS A 74 15.269 -0.821 -1.445 1.00 0.00 N ATOM 0 H LYS A 74 12.592 -2.800 -5.203 1.00 0.00 H new ATOM 0 HA LYS A 74 13.265 -4.693 -2.968 1.00 0.00 H new ATOM 0 HB2 LYS A 74 13.226 -2.020 -3.014 1.00 0.00 H new ATOM 0 HB3 LYS A 74 11.484 -2.206 -3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 74 11.696 -2.317 -0.723 1.00 0.00 H new ATOM 0 HG3 LYS A 74 12.206 -3.972 -0.996 1.00 0.00 H new ATOM 0 HD2 LYS A 74 13.957 -2.996 0.334 1.00 0.00 H new ATOM 0 HD3 LYS A 74 14.607 -3.058 -1.292 1.00 0.00 H new ATOM 0 HE2 LYS A 74 13.173 -0.563 -1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 74 14.134 -0.700 0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 15.669 0.102 -1.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 15.964 -1.569 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 15.039 -0.820 -2.459 1.00 0.00 H new ATOM 764 N PRO A 75 11.195 -5.951 -2.982 1.00 0.00 N ATOM 765 CA PRO A 75 9.950 -6.751 -2.963 1.00 0.00 C ATOM 766 C PRO A 75 8.946 -6.117 -1.998 1.00 0.00 C ATOM 767 O PRO A 75 9.178 -6.034 -0.808 1.00 0.00 O ATOM 768 CB PRO A 75 10.412 -8.125 -2.482 1.00 0.00 C ATOM 769 CG PRO A 75 11.665 -7.860 -1.715 1.00 0.00 C ATOM 770 CD PRO A 75 12.316 -6.665 -2.358 1.00 0.00 C ATOM 0 HA PRO A 75 9.446 -6.808 -3.928 1.00 0.00 H new ATOM 0 HB2 PRO A 75 9.657 -8.599 -1.855 1.00 0.00 H new ATOM 0 HB3 PRO A 75 10.596 -8.796 -3.321 1.00 0.00 H new ATOM 0 HG2 PRO A 75 11.443 -7.663 -0.666 1.00 0.00 H new ATOM 0 HG3 PRO A 75 12.328 -8.725 -1.744 1.00 0.00 H new ATOM 0 HD2 PRO A 75 12.827 -6.043 -1.623 1.00 0.00 H new ATOM 0 HD3 PRO A 75 13.061 -6.963 -3.096 1.00 0.00 H new ATOM 778 N VAL A 76 7.842 -5.653 -2.518 1.00 0.00 N ATOM 779 CA VAL A 76 6.806 -5.005 -1.661 1.00 0.00 C ATOM 780 C VAL A 76 5.567 -5.900 -1.581 1.00 0.00 C ATOM 781 O VAL A 76 5.242 -6.609 -2.518 1.00 0.00 O ATOM 782 CB VAL A 76 6.458 -3.679 -2.356 1.00 0.00 C ATOM 783 CG1 VAL A 76 5.790 -2.738 -1.353 1.00 0.00 C ATOM 784 CG2 VAL A 76 7.728 -3.013 -2.897 1.00 0.00 C ATOM 0 H VAL A 76 7.611 -5.695 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 76 7.163 -4.842 -0.644 1.00 0.00 H new ATOM 0 HB VAL A 76 5.780 -3.884 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 76 5.543 -1.797 -1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 76 4.878 -3.199 -0.973 1.00 0.00 H new ATOM 0 HG13 VAL A 76 6.472 -2.546 -0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 76 7.467 -2.075 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 76 8.413 -2.814 -2.073 1.00 0.00 H new ATOM 0 HG23 VAL A 76 8.208 -3.676 -3.616 1.00 0.00 H new ATOM 794 N SER A 77 4.876 -5.866 -0.474 1.00 0.00 N ATOM 795 CA SER A 77 3.654 -6.709 -0.320 1.00 0.00 C ATOM 796 C SER A 77 2.636 -5.998 0.580 1.00 0.00 C ATOM 797 O SER A 77 2.989 -5.413 1.588 1.00 0.00 O ATOM 798 CB SER A 77 4.141 -8.004 0.341 1.00 0.00 C ATOM 799 OG SER A 77 5.199 -8.567 -0.428 1.00 0.00 O ATOM 0 H SER A 77 5.106 -5.288 0.335 1.00 0.00 H new ATOM 0 HA SER A 77 3.162 -6.901 -1.273 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.485 -7.799 1.355 1.00 0.00 H new ATOM 0 HB3 SER A 77 3.318 -8.715 0.421 1.00 0.00 H new ATOM 0 HG SER A 77 5.509 -9.393 -0.002 1.00 0.00 H new ATOM 805 N PHE A 78 1.374 -6.043 0.228 1.00 0.00 N ATOM 806 CA PHE A 78 0.331 -5.373 1.071 1.00 0.00 C ATOM 807 C PHE A 78 -1.071 -5.782 0.618 1.00 0.00 C ATOM 808 O PHE A 78 -1.275 -6.231 -0.496 1.00 0.00 O ATOM 809 CB PHE A 78 0.523 -3.856 0.890 1.00 0.00 C ATOM 810 CG PHE A 78 0.812 -3.507 -0.556 1.00 0.00 C ATOM 811 CD1 PHE A 78 -0.191 -3.632 -1.525 1.00 0.00 C ATOM 812 CD2 PHE A 78 2.082 -3.047 -0.922 1.00 0.00 C ATOM 813 CE1 PHE A 78 0.076 -3.297 -2.856 1.00 0.00 C ATOM 814 CE2 PHE A 78 2.350 -2.713 -2.255 1.00 0.00 C ATOM 815 CZ PHE A 78 1.346 -2.838 -3.222 1.00 0.00 C ATOM 0 H PHE A 78 1.020 -6.514 -0.605 1.00 0.00 H new ATOM 0 HA PHE A 78 0.434 -5.663 2.117 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.373 -3.332 1.221 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.344 -3.513 1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.171 -3.987 -1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.856 -2.950 -0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.699 -3.393 -3.602 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.331 -2.359 -2.537 1.00 0.00 H new ATOM 0 HZ PHE A 78 1.552 -2.580 -4.250 1.00 0.00 H new ATOM 825 N THR A 79 -2.038 -5.616 1.476 1.00 0.00 N ATOM 826 CA THR A 79 -3.439 -5.974 1.108 1.00 0.00 C ATOM 827 C THR A 79 -4.259 -4.702 0.925 1.00 0.00 C ATOM 828 O THR A 79 -4.134 -3.760 1.682 1.00 0.00 O ATOM 829 CB THR A 79 -3.977 -6.818 2.269 1.00 0.00 C ATOM 830 OG1 THR A 79 -3.683 -6.183 3.503 1.00 0.00 O ATOM 831 CG2 THR A 79 -3.327 -8.202 2.238 1.00 0.00 C ATOM 0 H THR A 79 -1.920 -5.247 2.419 1.00 0.00 H new ATOM 0 HA THR A 79 -3.492 -6.529 0.171 1.00 0.00 H new ATOM 0 HB THR A 79 -5.057 -6.920 2.168 1.00 0.00 H new ATOM 0 HG1 THR A 79 -3.589 -6.860 4.205 1.00 0.00 H new ATOM 0 HG21 THR A 79 -3.710 -8.802 3.064 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.561 -8.693 1.293 1.00 0.00 H new ATOM 0 HG23 THR A 79 -2.246 -8.099 2.335 1.00 0.00 H new ATOM 839 N VAL A 80 -5.090 -4.663 -0.083 1.00 0.00 N ATOM 840 CA VAL A 80 -5.918 -3.441 -0.328 1.00 0.00 C ATOM 841 C VAL A 80 -7.411 -3.773 -0.207 1.00 0.00 C ATOM 842 O VAL A 80 -7.827 -4.895 -0.422 1.00 0.00 O ATOM 843 CB VAL A 80 -5.558 -2.967 -1.746 1.00 0.00 C ATOM 844 CG1 VAL A 80 -4.086 -2.535 -1.783 1.00 0.00 C ATOM 845 CG2 VAL A 80 -5.778 -4.098 -2.757 1.00 0.00 C ATOM 0 H VAL A 80 -5.233 -5.423 -0.748 1.00 0.00 H new ATOM 0 HA VAL A 80 -5.718 -2.659 0.405 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.199 -2.125 -2.009 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.831 -2.199 -2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.928 -1.720 -1.077 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.452 -3.379 -1.511 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.519 -3.748 -3.756 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.147 -4.948 -2.495 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.824 -4.404 -2.739 1.00 0.00 H new ATOM 855 N LYS A 81 -8.210 -2.799 0.147 1.00 0.00 N ATOM 856 CA LYS A 81 -9.678 -3.033 0.304 1.00 0.00 C ATOM 857 C LYS A 81 -10.462 -2.012 -0.531 1.00 0.00 C ATOM 858 O LYS A 81 -9.966 -0.950 -0.857 1.00 0.00 O ATOM 859 CB LYS A 81 -9.941 -2.852 1.811 1.00 0.00 C ATOM 860 CG LYS A 81 -11.423 -2.552 2.071 1.00 0.00 C ATOM 861 CD LYS A 81 -11.877 -3.273 3.344 1.00 0.00 C ATOM 862 CE LYS A 81 -12.786 -4.447 2.964 1.00 0.00 C ATOM 863 NZ LYS A 81 -12.701 -5.400 4.105 1.00 0.00 N ATOM 0 H LYS A 81 -7.906 -1.844 0.336 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.993 -4.018 -0.041 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.648 -3.755 2.347 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.327 -2.038 2.197 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.574 -1.478 2.176 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.025 -2.877 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -11.011 -3.633 3.900 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -12.410 -2.582 3.997 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.812 -4.114 2.806 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -12.456 -4.915 2.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.548 -6.363 3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.908 -5.133 4.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.587 -5.371 4.648 1.00 0.00 H new ATOM 877 N GLU A 82 -11.677 -2.340 -0.888 1.00 0.00 N ATOM 878 CA GLU A 82 -12.510 -1.408 -1.718 1.00 0.00 C ATOM 879 C GLU A 82 -12.877 -0.130 -0.941 1.00 0.00 C ATOM 880 O GLU A 82 -13.186 -0.169 0.236 1.00 0.00 O ATOM 881 CB GLU A 82 -13.776 -2.202 -2.042 1.00 0.00 C ATOM 882 CG GLU A 82 -14.306 -1.799 -3.419 1.00 0.00 C ATOM 883 CD GLU A 82 -15.637 -2.509 -3.674 1.00 0.00 C ATOM 884 OE1 GLU A 82 -15.621 -3.718 -3.840 1.00 0.00 O ATOM 885 OE2 GLU A 82 -16.652 -1.830 -3.689 1.00 0.00 O ATOM 0 H GLU A 82 -12.134 -3.218 -0.640 1.00 0.00 H new ATOM 0 HA GLU A 82 -11.972 -1.081 -2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -13.560 -3.270 -2.024 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -14.536 -2.018 -1.282 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -14.441 -0.719 -3.468 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -13.585 -2.065 -4.192 1.00 0.00 H new ATOM 892 N THR A 83 -12.871 0.998 -1.614 1.00 0.00 N ATOM 893 CA THR A 83 -13.243 2.292 -0.951 1.00 0.00 C ATOM 894 C THR A 83 -14.583 2.792 -1.516 1.00 0.00 C ATOM 895 O THR A 83 -15.230 2.112 -2.290 1.00 0.00 O ATOM 896 CB THR A 83 -12.114 3.274 -1.302 1.00 0.00 C ATOM 897 OG1 THR A 83 -11.891 3.273 -2.708 1.00 0.00 O ATOM 898 CG2 THR A 83 -10.830 2.863 -0.581 1.00 0.00 C ATOM 0 H THR A 83 -12.623 1.079 -2.600 1.00 0.00 H new ATOM 0 HA THR A 83 -13.358 2.186 0.128 1.00 0.00 H new ATOM 0 HB THR A 83 -12.403 4.276 -0.985 1.00 0.00 H new ATOM 0 HG1 THR A 83 -11.572 4.156 -2.989 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.032 3.562 -0.832 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.997 2.876 0.496 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.544 1.858 -0.892 1.00 0.00 H new ATOM 906 N VAL A 84 -15.003 3.974 -1.138 1.00 0.00 N ATOM 907 CA VAL A 84 -16.304 4.509 -1.657 1.00 0.00 C ATOM 908 C VAL A 84 -16.070 5.498 -2.814 1.00 0.00 C ATOM 909 O VAL A 84 -16.684 6.548 -2.873 1.00 0.00 O ATOM 910 CB VAL A 84 -16.964 5.223 -0.466 1.00 0.00 C ATOM 911 CG1 VAL A 84 -17.162 4.238 0.690 1.00 0.00 C ATOM 912 CG2 VAL A 84 -16.084 6.387 0.005 1.00 0.00 C ATOM 0 H VAL A 84 -14.505 4.591 -0.496 1.00 0.00 H new ATOM 0 HA VAL A 84 -16.933 3.710 -2.051 1.00 0.00 H new ATOM 0 HB VAL A 84 -17.932 5.609 -0.784 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -17.630 4.752 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -17.802 3.418 0.364 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -16.195 3.842 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -16.561 6.886 0.849 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -15.110 6.006 0.312 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -15.954 7.098 -0.811 1.00 0.00 H new ATOM 922 N CYS A 85 -15.192 5.181 -3.735 1.00 0.00 N ATOM 923 CA CYS A 85 -14.937 6.121 -4.871 1.00 0.00 C ATOM 924 C CYS A 85 -14.718 5.357 -6.180 1.00 0.00 C ATOM 925 O CYS A 85 -13.821 4.541 -6.274 1.00 0.00 O ATOM 926 CB CYS A 85 -13.666 6.874 -4.485 1.00 0.00 C ATOM 927 SG CYS A 85 -14.102 8.348 -3.532 1.00 0.00 S ATOM 0 H CYS A 85 -14.645 4.320 -3.750 1.00 0.00 H new ATOM 0 HA CYS A 85 -15.783 6.788 -5.036 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -13.013 6.229 -3.898 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -13.113 7.158 -5.380 1.00 0.00 H new ATOM 932 N PRO A 86 -15.535 5.663 -7.162 1.00 0.00 N ATOM 933 CA PRO A 86 -15.409 5.005 -8.485 1.00 0.00 C ATOM 934 C PRO A 86 -14.220 5.588 -9.257 1.00 0.00 C ATOM 935 O PRO A 86 -13.858 6.737 -9.083 1.00 0.00 O ATOM 936 CB PRO A 86 -16.722 5.333 -9.182 1.00 0.00 C ATOM 937 CG PRO A 86 -17.208 6.592 -8.532 1.00 0.00 C ATOM 938 CD PRO A 86 -16.642 6.629 -7.134 1.00 0.00 C ATOM 0 HA PRO A 86 -15.232 3.932 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -16.575 5.474 -10.253 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -17.444 4.525 -9.063 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -16.886 7.465 -9.099 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -18.297 6.614 -8.505 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -16.291 7.628 -6.874 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -17.393 6.352 -6.394 1.00 0.00 H new ATOM 946 N ARG A 87 -13.615 4.806 -10.110 1.00 0.00 N ATOM 947 CA ARG A 87 -12.448 5.312 -10.894 1.00 0.00 C ATOM 948 C ARG A 87 -12.903 5.806 -12.277 1.00 0.00 C ATOM 949 O ARG A 87 -13.776 5.212 -12.880 1.00 0.00 O ATOM 950 CB ARG A 87 -11.506 4.110 -11.039 1.00 0.00 C ATOM 951 CG ARG A 87 -10.321 4.268 -10.085 1.00 0.00 C ATOM 952 CD ARG A 87 -9.139 4.894 -10.833 1.00 0.00 C ATOM 953 NE ARG A 87 -8.653 5.993 -9.947 1.00 0.00 N ATOM 954 CZ ARG A 87 -7.582 6.665 -10.266 1.00 0.00 C ATOM 955 NH1 ARG A 87 -6.438 6.046 -10.395 1.00 0.00 N ATOM 956 NH2 ARG A 87 -7.653 7.955 -10.459 1.00 0.00 N ATOM 0 H ARG A 87 -13.877 3.839 -10.299 1.00 0.00 H new ATOM 0 HA ARG A 87 -11.962 6.154 -10.401 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -12.042 3.187 -10.819 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -11.151 4.036 -12.067 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -10.603 4.896 -9.240 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -10.035 3.297 -9.680 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -8.355 4.159 -11.015 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.447 5.279 -11.805 1.00 0.00 H new ATOM 0 HE ARG A 87 -9.159 6.219 -9.091 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -6.384 5.038 -10.246 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -5.600 6.571 -10.645 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -8.546 8.437 -10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -6.815 8.480 -10.708 1.00 0.00 H new ATOM 970 N PRO A 88 -12.290 6.874 -12.753 1.00 0.00 N ATOM 971 CA PRO A 88 -11.225 7.586 -11.998 1.00 0.00 C ATOM 972 C PRO A 88 -11.837 8.651 -11.072 1.00 0.00 C ATOM 973 O PRO A 88 -12.785 9.322 -11.434 1.00 0.00 O ATOM 974 CB PRO A 88 -10.410 8.252 -13.103 1.00 0.00 C ATOM 975 CG PRO A 88 -11.350 8.419 -14.263 1.00 0.00 C ATOM 976 CD PRO A 88 -12.534 7.503 -14.052 1.00 0.00 C ATOM 0 HA PRO A 88 -10.637 6.927 -11.359 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -10.020 9.215 -12.774 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -9.553 7.639 -13.380 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -11.680 9.455 -14.338 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -10.845 8.177 -15.198 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -13.471 8.060 -14.052 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.605 6.759 -14.845 1.00 0.00 H new ATOM 984 N THR A 89 -11.299 8.820 -9.887 1.00 0.00 N ATOM 985 CA THR A 89 -11.856 9.853 -8.951 1.00 0.00 C ATOM 986 C THR A 89 -11.014 11.139 -8.995 1.00 0.00 C ATOM 987 O THR A 89 -10.999 11.909 -8.052 1.00 0.00 O ATOM 988 CB THR A 89 -11.783 9.227 -7.548 1.00 0.00 C ATOM 989 OG1 THR A 89 -12.032 7.829 -7.618 1.00 0.00 O ATOM 990 CG2 THR A 89 -12.821 9.888 -6.639 1.00 0.00 C ATOM 0 H THR A 89 -10.504 8.292 -9.528 1.00 0.00 H new ATOM 0 HA THR A 89 -12.875 10.126 -9.225 1.00 0.00 H new ATOM 0 HB THR A 89 -10.785 9.387 -7.141 1.00 0.00 H new ATOM 0 HG1 THR A 89 -12.952 7.675 -7.918 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.769 9.444 -5.645 1.00 0.00 H new ATOM 0 HG22 THR A 89 -12.617 10.957 -6.571 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.818 9.735 -7.053 1.00 0.00 H new ATOM 998 N ARG A 90 -10.316 11.375 -10.083 1.00 0.00 N ATOM 999 CA ARG A 90 -9.460 12.606 -10.208 1.00 0.00 C ATOM 1000 C ARG A 90 -8.532 12.768 -8.986 1.00 0.00 C ATOM 1001 O ARG A 90 -8.131 13.868 -8.646 1.00 0.00 O ATOM 1002 CB ARG A 90 -10.449 13.777 -10.291 1.00 0.00 C ATOM 1003 CG ARG A 90 -11.063 13.833 -11.693 1.00 0.00 C ATOM 1004 CD ARG A 90 -11.865 15.128 -11.849 1.00 0.00 C ATOM 1005 NE ARG A 90 -10.853 16.182 -12.158 1.00 0.00 N ATOM 1006 CZ ARG A 90 -11.235 17.332 -12.644 1.00 0.00 C ATOM 1007 NH1 ARG A 90 -11.353 17.487 -13.937 1.00 0.00 N ATOM 1008 NH2 ARG A 90 -11.500 18.327 -11.837 1.00 0.00 N ATOM 0 H ARG A 90 -10.301 10.763 -10.899 1.00 0.00 H new ATOM 0 HA ARG A 90 -8.809 12.553 -11.081 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -11.234 13.657 -9.544 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.938 14.714 -10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.278 13.786 -12.447 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -11.710 12.971 -11.853 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -12.600 15.042 -12.649 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -12.413 15.364 -10.937 1.00 0.00 H new ATOM 0 HE ARG A 90 -9.863 16.003 -11.989 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -11.147 16.710 -14.565 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -11.651 18.385 -14.318 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -11.408 18.204 -10.829 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -11.798 19.226 -12.216 1.00 0.00 H new ATOM 1022 N GLN A 91 -8.193 11.681 -8.326 1.00 0.00 N ATOM 1023 CA GLN A 91 -7.308 11.742 -7.129 1.00 0.00 C ATOM 1024 C GLN A 91 -7.097 10.319 -6.584 1.00 0.00 C ATOM 1025 O GLN A 91 -7.854 9.420 -6.909 1.00 0.00 O ATOM 1026 CB GLN A 91 -8.083 12.587 -6.111 1.00 0.00 C ATOM 1027 CG GLN A 91 -7.235 13.784 -5.666 1.00 0.00 C ATOM 1028 CD GLN A 91 -8.152 14.918 -5.197 1.00 0.00 C ATOM 1029 OE1 GLN A 91 -8.396 15.067 -4.017 1.00 0.00 O ATOM 1030 NE2 GLN A 91 -8.673 15.729 -6.078 1.00 0.00 N ATOM 0 H GLN A 91 -8.501 10.742 -8.576 1.00 0.00 H new ATOM 0 HA GLN A 91 -6.327 12.165 -7.348 1.00 0.00 H new ATOM 0 HB2 GLN A 91 -9.016 12.937 -6.552 1.00 0.00 H new ATOM 0 HB3 GLN A 91 -8.348 11.977 -5.247 1.00 0.00 H new ATOM 0 HG2 GLN A 91 -6.565 13.488 -4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 91 -6.610 14.126 -6.491 1.00 0.00 H new ATOM 0 HE21 GLN A 91 -8.468 15.605 -7.069 1.00 0.00 H new ATOM 0 HE22 GLN A 91 -9.284 16.487 -5.775 1.00 0.00 H new ATOM 1039 N PRO A 92 -6.091 10.160 -5.758 1.00 0.00 N ATOM 1040 CA PRO A 92 -5.806 8.830 -5.150 1.00 0.00 C ATOM 1041 C PRO A 92 -6.955 8.401 -4.218 1.00 0.00 C ATOM 1042 O PRO A 92 -7.745 9.220 -3.790 1.00 0.00 O ATOM 1043 CB PRO A 92 -4.512 9.067 -4.369 1.00 0.00 C ATOM 1044 CG PRO A 92 -4.497 10.536 -4.105 1.00 0.00 C ATOM 1045 CD PRO A 92 -5.129 11.175 -5.311 1.00 0.00 C ATOM 0 HA PRO A 92 -5.711 8.031 -5.885 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.499 8.497 -3.440 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -3.639 8.758 -4.944 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.053 10.776 -3.199 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.479 10.897 -3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.622 12.114 -5.058 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -4.392 11.399 -6.082 1.00 0.00 H new ATOM 1053 N PRO A 93 -7.006 7.118 -3.942 1.00 0.00 N ATOM 1054 CA PRO A 93 -8.068 6.561 -3.055 1.00 0.00 C ATOM 1055 C PRO A 93 -7.793 6.863 -1.566 1.00 0.00 C ATOM 1056 O PRO A 93 -8.449 6.325 -0.693 1.00 0.00 O ATOM 1057 CB PRO A 93 -7.985 5.058 -3.311 1.00 0.00 C ATOM 1058 CG PRO A 93 -6.582 4.813 -3.772 1.00 0.00 C ATOM 1059 CD PRO A 93 -6.096 6.076 -4.433 1.00 0.00 C ATOM 0 HA PRO A 93 -9.047 6.992 -3.264 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -8.206 4.492 -2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -8.707 4.747 -4.066 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -5.942 4.550 -2.930 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.548 3.977 -4.471 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -5.062 6.293 -4.164 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -6.133 5.996 -5.519 1.00 0.00 H new ATOM 1067 N GLU A 94 -6.832 7.706 -1.268 1.00 0.00 N ATOM 1068 CA GLU A 94 -6.527 8.023 0.158 1.00 0.00 C ATOM 1069 C GLU A 94 -7.503 9.078 0.705 1.00 0.00 C ATOM 1070 O GLU A 94 -7.767 9.123 1.891 1.00 0.00 O ATOM 1071 CB GLU A 94 -5.097 8.566 0.144 1.00 0.00 C ATOM 1072 CG GLU A 94 -4.549 8.607 1.573 1.00 0.00 C ATOM 1073 CD GLU A 94 -3.922 9.978 1.840 1.00 0.00 C ATOM 1074 OE1 GLU A 94 -4.660 10.950 1.875 1.00 0.00 O ATOM 1075 OE2 GLU A 94 -2.714 10.030 2.003 1.00 0.00 O ATOM 0 H GLU A 94 -6.248 8.186 -1.953 1.00 0.00 H new ATOM 0 HA GLU A 94 -6.628 7.148 0.801 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -4.464 7.936 -0.481 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -5.081 9.565 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -5.350 8.417 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -3.806 7.822 1.711 1.00 0.00 H new ATOM 1082 N LEU A 95 -8.040 9.923 -0.146 1.00 0.00 N ATOM 1083 CA LEU A 95 -8.998 10.969 0.336 1.00 0.00 C ATOM 1084 C LEU A 95 -10.376 10.348 0.596 1.00 0.00 C ATOM 1085 O LEU A 95 -11.125 10.806 1.438 1.00 0.00 O ATOM 1086 CB LEU A 95 -9.114 12.008 -0.797 1.00 0.00 C ATOM 1087 CG LEU A 95 -7.750 12.631 -1.153 1.00 0.00 C ATOM 1088 CD1 LEU A 95 -6.771 12.532 0.023 1.00 0.00 C ATOM 1089 CD2 LEU A 95 -7.170 11.907 -2.372 1.00 0.00 C ATOM 0 H LEU A 95 -7.857 9.933 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 95 -8.648 11.419 1.265 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -9.537 11.533 -1.682 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -9.805 12.796 -0.497 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.898 13.687 -1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.818 12.980 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.181 13.061 0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -6.617 11.484 0.281 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.205 12.343 -2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.040 10.850 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -7.852 12.012 -3.216 1.00 0.00 H new ATOM 1101 N CYS A 96 -10.718 9.319 -0.140 1.00 0.00 N ATOM 1102 CA CYS A 96 -12.050 8.668 0.032 1.00 0.00 C ATOM 1103 C CYS A 96 -12.088 7.797 1.295 1.00 0.00 C ATOM 1104 O CYS A 96 -11.081 7.571 1.942 1.00 0.00 O ATOM 1105 CB CYS A 96 -12.228 7.811 -1.222 1.00 0.00 C ATOM 1106 SG CYS A 96 -12.363 8.894 -2.667 1.00 0.00 S ATOM 0 H CYS A 96 -10.126 8.901 -0.857 1.00 0.00 H new ATOM 0 HA CYS A 96 -12.847 9.402 0.151 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -11.382 7.134 -1.338 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -13.121 7.193 -1.131 1.00 0.00 H new ATOM 1111 N ASP A 97 -13.255 7.313 1.645 1.00 0.00 N ATOM 1112 CA ASP A 97 -13.393 6.458 2.864 1.00 0.00 C ATOM 1113 C ASP A 97 -13.032 4.997 2.547 1.00 0.00 C ATOM 1114 O ASP A 97 -12.392 4.708 1.552 1.00 0.00 O ATOM 1115 CB ASP A 97 -14.868 6.583 3.271 1.00 0.00 C ATOM 1116 CG ASP A 97 -15.142 8.000 3.785 1.00 0.00 C ATOM 1117 OD1 ASP A 97 -14.836 8.264 4.936 1.00 0.00 O ATOM 1118 OD2 ASP A 97 -15.654 8.797 3.016 1.00 0.00 O ATOM 0 H ASP A 97 -14.123 7.475 1.135 1.00 0.00 H new ATOM 0 HA ASP A 97 -12.723 6.772 3.664 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -15.511 6.364 2.418 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -15.105 5.853 4.045 1.00 0.00 H new ATOM 1123 N PHE A 98 -13.426 4.077 3.393 1.00 0.00 N ATOM 1124 CA PHE A 98 -13.098 2.638 3.164 1.00 0.00 C ATOM 1125 C PHE A 98 -14.334 1.760 3.399 1.00 0.00 C ATOM 1126 O PHE A 98 -14.991 1.863 4.419 1.00 0.00 O ATOM 1127 CB PHE A 98 -12.033 2.324 4.223 1.00 0.00 C ATOM 1128 CG PHE A 98 -10.841 1.581 3.642 1.00 0.00 C ATOM 1129 CD1 PHE A 98 -10.723 1.338 2.264 1.00 0.00 C ATOM 1130 CD2 PHE A 98 -9.836 1.136 4.511 1.00 0.00 C ATOM 1131 CE1 PHE A 98 -9.608 0.654 1.768 1.00 0.00 C ATOM 1132 CE2 PHE A 98 -8.723 0.453 4.012 1.00 0.00 C ATOM 1133 CZ PHE A 98 -8.608 0.213 2.641 1.00 0.00 C ATOM 0 H PHE A 98 -13.965 4.264 4.239 1.00 0.00 H new ATOM 0 HA PHE A 98 -12.760 2.447 2.146 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -11.692 3.254 4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -12.479 1.725 5.017 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -11.493 1.679 1.587 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -9.922 1.322 5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -9.519 0.466 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -7.952 0.111 4.687 1.00 0.00 H new ATOM 0 HZ PHE A 98 -7.747 -0.313 2.255 1.00 0.00 H new ATOM 1143 N LYS A 99 -14.641 0.881 2.479 1.00 0.00 N ATOM 1144 CA LYS A 99 -15.818 -0.022 2.670 1.00 0.00 C ATOM 1145 C LYS A 99 -15.363 -1.301 3.369 1.00 0.00 C ATOM 1146 O LYS A 99 -14.609 -2.076 2.812 1.00 0.00 O ATOM 1147 CB LYS A 99 -16.333 -0.369 1.270 1.00 0.00 C ATOM 1148 CG LYS A 99 -16.866 0.883 0.571 1.00 0.00 C ATOM 1149 CD LYS A 99 -17.309 0.524 -0.853 1.00 0.00 C ATOM 1150 CE LYS A 99 -18.533 -0.403 -0.806 1.00 0.00 C ATOM 1151 NZ LYS A 99 -18.021 -1.764 -1.148 1.00 0.00 N ATOM 0 H LYS A 99 -14.130 0.749 1.606 1.00 0.00 H new ATOM 0 HA LYS A 99 -16.591 0.454 3.273 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.530 -0.809 0.679 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -17.123 -1.117 1.341 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -17.705 1.296 1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -16.094 1.652 0.540 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -17.551 1.431 -1.407 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -16.492 0.035 -1.384 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -18.993 -0.394 0.182 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -19.295 -0.082 -1.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -18.817 -2.431 -1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -17.536 -1.731 -2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -17.353 -2.078 -0.415 1.00 0.00 H new ATOM 1165 N GLU A 100 -15.809 -1.538 4.573 1.00 0.00 N ATOM 1166 CA GLU A 100 -15.387 -2.784 5.284 1.00 0.00 C ATOM 1167 C GLU A 100 -15.978 -4.020 4.592 1.00 0.00 C ATOM 1168 O GLU A 100 -15.428 -5.103 4.670 1.00 0.00 O ATOM 1169 CB GLU A 100 -15.925 -2.649 6.711 1.00 0.00 C ATOM 1170 CG GLU A 100 -15.131 -3.567 7.646 1.00 0.00 C ATOM 1171 CD GLU A 100 -15.553 -3.315 9.094 1.00 0.00 C ATOM 1172 OE1 GLU A 100 -16.543 -3.895 9.511 1.00 0.00 O ATOM 1173 OE2 GLU A 100 -14.881 -2.546 9.762 1.00 0.00 O ATOM 0 H GLU A 100 -16.442 -0.930 5.093 1.00 0.00 H new ATOM 0 HA GLU A 100 -14.304 -2.907 5.278 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -15.844 -1.615 7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -16.983 -2.911 6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.306 -4.610 7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.063 -3.384 7.531 1.00 0.00 H new ATOM 1180 N ASN A 101 -17.082 -3.866 3.901 1.00 0.00 N ATOM 1181 CA ASN A 101 -17.693 -5.033 3.191 1.00 0.00 C ATOM 1182 C ASN A 101 -17.057 -5.212 1.800 1.00 0.00 C ATOM 1183 O ASN A 101 -17.433 -6.097 1.054 1.00 0.00 O ATOM 1184 CB ASN A 101 -19.186 -4.702 3.064 1.00 0.00 C ATOM 1185 CG ASN A 101 -19.811 -4.574 4.458 1.00 0.00 C ATOM 1186 OD1 ASN A 101 -19.434 -5.278 5.376 1.00 0.00 O ATOM 1187 ND2 ASN A 101 -20.760 -3.701 4.657 1.00 0.00 N ATOM 0 H ASN A 101 -17.585 -2.985 3.798 1.00 0.00 H new ATOM 0 HA ASN A 101 -17.532 -5.965 3.733 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -19.316 -3.772 2.511 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -19.694 -5.483 2.498 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -21.184 -3.610 5.580 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -21.078 -3.109 3.889 1.00 0.00 H new ATOM 1194 N GLY A 102 -16.092 -4.388 1.443 1.00 0.00 N ATOM 1195 CA GLY A 102 -15.437 -4.526 0.113 1.00 0.00 C ATOM 1196 C GLY A 102 -14.517 -5.749 0.121 1.00 0.00 C ATOM 1197 O GLY A 102 -14.129 -6.242 1.165 1.00 0.00 O ATOM 0 H GLY A 102 -15.736 -3.628 2.022 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -16.192 -4.631 -0.667 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -14.864 -3.628 -0.117 1.00 0.00 H new ATOM 1201 N ARG A 103 -14.155 -6.240 -1.035 1.00 0.00 N ATOM 1202 CA ARG A 103 -13.248 -7.426 -1.090 1.00 0.00 C ATOM 1203 C ARG A 103 -11.791 -6.973 -0.937 1.00 0.00 C ATOM 1204 O ARG A 103 -11.388 -5.958 -1.472 1.00 0.00 O ATOM 1205 CB ARG A 103 -13.492 -8.078 -2.460 1.00 0.00 C ATOM 1206 CG ARG A 103 -13.016 -7.153 -3.587 1.00 0.00 C ATOM 1207 CD ARG A 103 -14.035 -7.176 -4.731 1.00 0.00 C ATOM 1208 NE ARG A 103 -13.225 -7.352 -5.972 1.00 0.00 N ATOM 1209 CZ ARG A 103 -13.267 -8.484 -6.625 1.00 0.00 C ATOM 1210 NH1 ARG A 103 -12.537 -9.494 -6.229 1.00 0.00 N ATOM 1211 NH2 ARG A 103 -14.042 -8.602 -7.671 1.00 0.00 N ATOM 0 H ARG A 103 -14.447 -5.873 -1.941 1.00 0.00 H new ATOM 0 HA ARG A 103 -13.444 -8.135 -0.285 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -12.964 -9.030 -2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -14.553 -8.294 -2.583 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -12.897 -6.136 -3.212 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -12.040 -7.475 -3.949 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -14.748 -7.991 -4.607 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -14.611 -6.251 -4.764 1.00 0.00 H new ATOM 0 HE ARG A 103 -12.639 -6.589 -6.311 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -11.935 -9.399 -5.411 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -12.569 -10.377 -6.738 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -14.611 -7.812 -7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -14.077 -9.484 -8.183 1.00 0.00 H new ATOM 1225 N VAL A 104 -11.002 -7.711 -0.200 1.00 0.00 N ATOM 1226 CA VAL A 104 -9.576 -7.313 -0.005 1.00 0.00 C ATOM 1227 C VAL A 104 -8.654 -8.271 -0.766 1.00 0.00 C ATOM 1228 O VAL A 104 -8.834 -9.474 -0.734 1.00 0.00 O ATOM 1229 CB VAL A 104 -9.325 -7.413 1.506 1.00 0.00 C ATOM 1230 CG1 VAL A 104 -7.929 -6.873 1.834 1.00 0.00 C ATOM 1231 CG2 VAL A 104 -10.370 -6.588 2.260 1.00 0.00 C ATOM 0 H VAL A 104 -11.282 -8.570 0.274 1.00 0.00 H new ATOM 0 HA VAL A 104 -9.377 -6.309 -0.380 1.00 0.00 H new ATOM 0 HB VAL A 104 -9.395 -8.458 1.809 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -7.754 -6.945 2.907 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -7.178 -7.459 1.304 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -7.860 -5.830 1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -10.188 -6.662 3.332 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -10.302 -5.545 1.952 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -11.366 -6.969 2.034 1.00 0.00 H new ATOM 1241 N LYS A 105 -7.662 -7.748 -1.442 1.00 0.00 N ATOM 1242 CA LYS A 105 -6.719 -8.631 -2.198 1.00 0.00 C ATOM 1243 C LYS A 105 -5.266 -8.260 -1.876 1.00 0.00 C ATOM 1244 O LYS A 105 -4.914 -7.097 -1.780 1.00 0.00 O ATOM 1245 CB LYS A 105 -7.031 -8.407 -3.685 1.00 0.00 C ATOM 1246 CG LYS A 105 -6.935 -6.919 -4.036 1.00 0.00 C ATOM 1247 CD LYS A 105 -8.341 -6.317 -4.126 1.00 0.00 C ATOM 1248 CE LYS A 105 -8.492 -5.555 -5.446 1.00 0.00 C ATOM 1249 NZ LYS A 105 -9.043 -6.549 -6.411 1.00 0.00 N ATOM 0 H LYS A 105 -7.464 -6.749 -1.504 1.00 0.00 H new ATOM 0 HA LYS A 105 -6.841 -9.680 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -6.333 -8.977 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -8.031 -8.776 -3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -6.352 -6.394 -3.279 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -6.413 -6.792 -4.985 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -9.090 -7.106 -4.063 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -8.514 -5.645 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -9.162 -4.702 -5.334 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.533 -5.165 -5.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.173 -6.097 -7.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -8.382 -7.346 -6.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.959 -6.898 -6.065 1.00 0.00 H new ATOM 1263 N GLN A 106 -4.422 -9.244 -1.694 1.00 0.00 N ATOM 1264 CA GLN A 106 -2.992 -8.959 -1.369 1.00 0.00 C ATOM 1265 C GLN A 106 -2.171 -8.824 -2.650 1.00 0.00 C ATOM 1266 O GLN A 106 -2.003 -9.773 -3.392 1.00 0.00 O ATOM 1267 CB GLN A 106 -2.509 -10.155 -0.547 1.00 0.00 C ATOM 1268 CG GLN A 106 -1.147 -9.826 0.070 1.00 0.00 C ATOM 1269 CD GLN A 106 -0.268 -11.077 0.066 1.00 0.00 C ATOM 1270 OE1 GLN A 106 0.219 -11.485 -0.968 1.00 0.00 O ATOM 1271 NE2 GLN A 106 -0.043 -11.708 1.186 1.00 0.00 N ATOM 0 H GLN A 106 -4.662 -10.233 -1.757 1.00 0.00 H new ATOM 0 HA GLN A 106 -2.882 -8.024 -0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -3.230 -10.387 0.237 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -2.431 -11.039 -1.180 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.664 -9.028 -0.494 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -1.276 -9.463 1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -0.452 -11.366 2.055 1.00 0.00 H new ATOM 0 HE22 GLN A 106 0.542 -12.544 1.192 1.00 0.00 H new ATOM 1280 N CYS A 107 -1.656 -7.649 -2.909 1.00 0.00 N ATOM 1281 CA CYS A 107 -0.838 -7.442 -4.140 1.00 0.00 C ATOM 1282 C CYS A 107 0.644 -7.352 -3.780 1.00 0.00 C ATOM 1283 O CYS A 107 1.047 -6.558 -2.946 1.00 0.00 O ATOM 1284 CB CYS A 107 -1.332 -6.129 -4.746 1.00 0.00 C ATOM 1285 SG CYS A 107 -2.374 -6.493 -6.182 1.00 0.00 S ATOM 0 H CYS A 107 -1.767 -6.824 -2.320 1.00 0.00 H new ATOM 0 HA CYS A 107 -0.943 -8.268 -4.844 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -1.897 -5.562 -4.006 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -0.485 -5.510 -5.043 1.00 0.00 H new ATOM 1290 N VAL A 108 1.454 -8.167 -4.401 1.00 0.00 N ATOM 1291 CA VAL A 108 2.917 -8.150 -4.105 1.00 0.00 C ATOM 1292 C VAL A 108 3.727 -7.976 -5.397 1.00 0.00 C ATOM 1293 O VAL A 108 3.362 -8.469 -6.447 1.00 0.00 O ATOM 1294 CB VAL A 108 3.220 -9.504 -3.450 1.00 0.00 C ATOM 1295 CG1 VAL A 108 2.417 -9.643 -2.155 1.00 0.00 C ATOM 1296 CG2 VAL A 108 2.848 -10.647 -4.403 1.00 0.00 C ATOM 0 H VAL A 108 1.164 -8.847 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 108 3.188 -7.320 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 108 4.286 -9.555 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.635 -10.606 -1.693 1.00 0.00 H new ATOM 0 HG12 VAL A 108 2.691 -8.841 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.352 -9.581 -2.379 1.00 0.00 H new ATOM 0 HG21 VAL A 108 3.067 -11.603 -3.928 1.00 0.00 H new ATOM 0 HG22 VAL A 108 1.785 -10.594 -4.637 1.00 0.00 H new ATOM 0 HG23 VAL A 108 3.427 -10.557 -5.322 1.00 0.00 H new ATOM 1306 N GLY A 109 4.831 -7.279 -5.319 1.00 0.00 N ATOM 1307 CA GLY A 109 5.684 -7.065 -6.529 1.00 0.00 C ATOM 1308 C GLY A 109 7.019 -6.446 -6.107 1.00 0.00 C ATOM 1309 O GLY A 109 7.212 -6.106 -4.959 1.00 0.00 O ATOM 0 H GLY A 109 5.181 -6.846 -4.465 1.00 0.00 H new ATOM 0 HA2 GLY A 109 5.855 -8.013 -7.039 1.00 0.00 H new ATOM 0 HA3 GLY A 109 5.174 -6.410 -7.236 1.00 0.00 H new ATOM 1313 N THR A 110 7.946 -6.295 -7.023 1.00 0.00 N ATOM 1314 CA THR A 110 9.266 -5.696 -6.650 1.00 0.00 C ATOM 1315 C THR A 110 9.478 -4.355 -7.361 1.00 0.00 C ATOM 1316 O THR A 110 9.241 -4.222 -8.549 1.00 0.00 O ATOM 1317 CB THR A 110 10.326 -6.715 -7.086 1.00 0.00 C ATOM 1318 OG1 THR A 110 10.182 -7.000 -8.472 1.00 0.00 O ATOM 1319 CG2 THR A 110 10.166 -8.006 -6.280 1.00 0.00 C ATOM 0 H THR A 110 7.847 -6.558 -8.004 1.00 0.00 H new ATOM 0 HA THR A 110 9.322 -5.493 -5.581 1.00 0.00 H new ATOM 0 HB THR A 110 11.316 -6.296 -6.906 1.00 0.00 H new ATOM 0 HG1 THR A 110 9.806 -6.219 -8.929 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.921 -8.727 -6.594 1.00 0.00 H new ATOM 0 HG22 THR A 110 10.289 -7.790 -5.219 1.00 0.00 H new ATOM 0 HG23 THR A 110 9.174 -8.422 -6.453 1.00 0.00 H new ATOM 1327 N VAL A 111 9.926 -3.365 -6.633 1.00 0.00 N ATOM 1328 CA VAL A 111 10.167 -2.018 -7.238 1.00 0.00 C ATOM 1329 C VAL A 111 11.408 -1.374 -6.610 1.00 0.00 C ATOM 1330 O VAL A 111 11.604 -1.430 -5.409 1.00 0.00 O ATOM 1331 CB VAL A 111 8.910 -1.190 -6.922 1.00 0.00 C ATOM 1332 CG1 VAL A 111 7.719 -1.740 -7.710 1.00 0.00 C ATOM 1333 CG2 VAL A 111 8.597 -1.252 -5.421 1.00 0.00 C ATOM 0 H VAL A 111 10.137 -3.431 -5.637 1.00 0.00 H new ATOM 0 HA VAL A 111 10.345 -2.079 -8.312 1.00 0.00 H new ATOM 0 HB VAL A 111 9.092 -0.154 -7.207 1.00 0.00 H new ATOM 0 HG11 VAL A 111 6.830 -1.151 -7.484 1.00 0.00 H new ATOM 0 HG12 VAL A 111 7.931 -1.682 -8.778 1.00 0.00 H new ATOM 0 HG13 VAL A 111 7.547 -2.779 -7.431 1.00 0.00 H new ATOM 0 HG21 VAL A 111 7.705 -0.662 -5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 111 8.424 -2.288 -5.128 1.00 0.00 H new ATOM 0 HG23 VAL A 111 9.439 -0.851 -4.857 1.00 0.00 H new ATOM 1343 N THR A 112 12.250 -0.767 -7.411 1.00 0.00 N ATOM 1344 CA THR A 112 13.487 -0.118 -6.862 1.00 0.00 C ATOM 1345 C THR A 112 13.120 1.010 -5.884 1.00 0.00 C ATOM 1346 O THR A 112 11.988 1.455 -5.830 1.00 0.00 O ATOM 1347 CB THR A 112 14.235 0.432 -8.088 1.00 0.00 C ATOM 1348 OG1 THR A 112 15.464 1.009 -7.675 1.00 0.00 O ATOM 1349 CG2 THR A 112 13.388 1.495 -8.789 1.00 0.00 C ATOM 0 H THR A 112 12.136 -0.692 -8.422 1.00 0.00 H new ATOM 0 HA THR A 112 14.102 -0.821 -6.300 1.00 0.00 H new ATOM 0 HB THR A 112 14.427 -0.387 -8.781 1.00 0.00 H new ATOM 0 HG1 THR A 112 15.747 0.604 -6.829 1.00 0.00 H new ATOM 0 HG21 THR A 112 13.928 1.877 -9.655 1.00 0.00 H new ATOM 0 HG22 THR A 112 12.446 1.053 -9.114 1.00 0.00 H new ATOM 0 HG23 THR A 112 13.186 2.313 -8.098 1.00 0.00 H new ATOM 1357 N LEU A 113 14.071 1.465 -5.107 1.00 0.00 N ATOM 1358 CA LEU A 113 13.791 2.552 -4.118 1.00 0.00 C ATOM 1359 C LEU A 113 14.127 3.937 -4.696 1.00 0.00 C ATOM 1360 O LEU A 113 13.694 4.944 -4.169 1.00 0.00 O ATOM 1361 CB LEU A 113 14.702 2.238 -2.929 1.00 0.00 C ATOM 1362 CG LEU A 113 14.236 3.001 -1.685 1.00 0.00 C ATOM 1363 CD1 LEU A 113 12.872 2.474 -1.230 1.00 0.00 C ATOM 1364 CD2 LEU A 113 15.255 2.807 -0.557 1.00 0.00 C ATOM 0 H LEU A 113 15.034 1.129 -5.115 1.00 0.00 H new ATOM 0 HA LEU A 113 12.736 2.585 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 113 14.695 1.166 -2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 113 15.730 2.511 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 113 14.150 4.060 -1.927 1.00 0.00 H new ATOM 0 HD11 LEU A 113 12.547 3.021 -0.345 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.144 2.612 -2.029 1.00 0.00 H new ATOM 0 HD13 LEU A 113 12.953 1.414 -0.991 1.00 0.00 H new ATOM 0 HD21 LEU A 113 14.925 3.349 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 113 15.340 1.746 -0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 113 16.226 3.187 -0.874 1.00 0.00 H new ATOM 1376 N ASP A 114 14.898 4.004 -5.757 1.00 0.00 N ATOM 1377 CA ASP A 114 15.258 5.337 -6.333 1.00 0.00 C ATOM 1378 C ASP A 114 14.802 5.456 -7.798 1.00 0.00 C ATOM 1379 O ASP A 114 15.486 6.043 -8.617 1.00 0.00 O ATOM 1380 CB ASP A 114 16.787 5.405 -6.235 1.00 0.00 C ATOM 1381 CG ASP A 114 17.194 5.859 -4.830 1.00 0.00 C ATOM 1382 OD1 ASP A 114 17.158 5.038 -3.927 1.00 0.00 O ATOM 1383 OD2 ASP A 114 17.535 7.021 -4.681 1.00 0.00 O ATOM 0 H ASP A 114 15.290 3.199 -6.245 1.00 0.00 H new ATOM 0 HA ASP A 114 14.770 6.153 -5.800 1.00 0.00 H new ATOM 0 HB2 ASP A 114 17.219 4.428 -6.451 1.00 0.00 H new ATOM 0 HB3 ASP A 114 17.178 6.098 -6.979 1.00 0.00 H new ATOM 1388 N GLN A 115 13.653 4.918 -8.134 1.00 0.00 N ATOM 1389 CA GLN A 115 13.163 5.014 -9.546 1.00 0.00 C ATOM 1390 C GLN A 115 11.717 4.515 -9.655 1.00 0.00 C ATOM 1391 O GLN A 115 11.376 3.449 -9.179 1.00 0.00 O ATOM 1392 CB GLN A 115 14.101 4.119 -10.364 1.00 0.00 C ATOM 1393 CG GLN A 115 14.813 4.959 -11.429 1.00 0.00 C ATOM 1394 CD GLN A 115 16.253 4.467 -11.595 1.00 0.00 C ATOM 1395 OE1 GLN A 115 16.536 3.668 -12.465 1.00 0.00 O ATOM 1396 NE2 GLN A 115 17.182 4.912 -10.792 1.00 0.00 N ATOM 0 H GLN A 115 13.036 4.418 -7.494 1.00 0.00 H new ATOM 0 HA GLN A 115 13.167 6.044 -9.904 1.00 0.00 H new ATOM 0 HB2 GLN A 115 14.833 3.647 -9.709 1.00 0.00 H new ATOM 0 HB3 GLN A 115 13.534 3.317 -10.838 1.00 0.00 H new ATOM 0 HG2 GLN A 115 14.282 4.887 -12.378 1.00 0.00 H new ATOM 0 HG3 GLN A 115 14.808 6.010 -11.140 1.00 0.00 H new ATOM 0 HE21 GLN A 115 16.946 5.583 -10.061 1.00 0.00 H new ATOM 0 HE22 GLN A 115 18.144 4.589 -10.896 1.00 0.00 H new ATOM 1405 N ILE A 116 10.867 5.280 -10.290 1.00 0.00 N ATOM 1406 CA ILE A 116 9.443 4.857 -10.451 1.00 0.00 C ATOM 1407 C ILE A 116 9.292 4.092 -11.773 1.00 0.00 C ATOM 1408 O ILE A 116 8.918 4.649 -12.788 1.00 0.00 O ATOM 1409 CB ILE A 116 8.630 6.159 -10.469 1.00 0.00 C ATOM 1410 CG1 ILE A 116 9.032 7.040 -9.277 1.00 0.00 C ATOM 1411 CG2 ILE A 116 7.137 5.833 -10.371 1.00 0.00 C ATOM 1412 CD1 ILE A 116 9.511 8.403 -9.783 1.00 0.00 C ATOM 0 H ILE A 116 11.098 6.182 -10.705 1.00 0.00 H new ATOM 0 HA ILE A 116 9.104 4.197 -9.653 1.00 0.00 H new ATOM 0 HB ILE A 116 8.830 6.691 -11.399 1.00 0.00 H new ATOM 0 HG12 ILE A 116 8.184 7.168 -8.605 1.00 0.00 H new ATOM 0 HG13 ILE A 116 9.823 6.555 -8.704 1.00 0.00 H new ATOM 0 HG21 ILE A 116 6.561 6.758 -10.384 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.844 5.211 -11.217 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.942 5.297 -9.442 1.00 0.00 H new ATOM 0 HD11 ILE A 116 9.796 9.026 -8.935 1.00 0.00 H new ATOM 0 HD12 ILE A 116 10.372 8.266 -10.438 1.00 0.00 H new ATOM 0 HD13 ILE A 116 8.707 8.889 -10.337 1.00 0.00 H new ATOM 1424 N LYS A 117 9.598 2.817 -11.764 1.00 0.00 N ATOM 1425 CA LYS A 117 9.495 2.002 -13.015 1.00 0.00 C ATOM 1426 C LYS A 117 8.029 1.710 -13.358 1.00 0.00 C ATOM 1427 O LYS A 117 7.151 1.802 -12.518 1.00 0.00 O ATOM 1428 CB LYS A 117 10.243 0.698 -12.707 1.00 0.00 C ATOM 1429 CG LYS A 117 11.112 0.303 -13.905 1.00 0.00 C ATOM 1430 CD LYS A 117 10.373 -0.734 -14.761 1.00 0.00 C ATOM 1431 CE LYS A 117 10.975 -2.125 -14.523 1.00 0.00 C ATOM 1432 NZ LYS A 117 11.783 -2.419 -15.742 1.00 0.00 N ATOM 0 H LYS A 117 9.916 2.304 -10.941 1.00 0.00 H new ATOM 0 HA LYS A 117 9.917 2.525 -13.873 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.865 0.825 -11.821 1.00 0.00 H new ATOM 0 HB3 LYS A 117 9.531 -0.097 -12.485 1.00 0.00 H new ATOM 0 HG2 LYS A 117 11.345 1.184 -14.504 1.00 0.00 H new ATOM 0 HG3 LYS A 117 12.061 -0.107 -13.559 1.00 0.00 H new ATOM 0 HD2 LYS A 117 9.312 -0.738 -14.509 1.00 0.00 H new ATOM 0 HD3 LYS A 117 10.449 -0.470 -15.816 1.00 0.00 H new ATOM 0 HE2 LYS A 117 11.596 -2.137 -13.627 1.00 0.00 H new ATOM 0 HE3 LYS A 117 10.194 -2.872 -14.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.224 -3.356 -15.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 11.165 -2.409 -16.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.524 -1.697 -15.850 1.00 0.00 H new ATOM 1446 N ASP A 118 7.768 1.358 -14.592 1.00 0.00 N ATOM 1447 CA ASP A 118 6.371 1.049 -15.020 1.00 0.00 C ATOM 1448 C ASP A 118 6.390 0.066 -16.205 1.00 0.00 C ATOM 1449 O ASP A 118 7.317 0.073 -16.994 1.00 0.00 O ATOM 1450 CB ASP A 118 5.760 2.398 -15.433 1.00 0.00 C ATOM 1451 CG ASP A 118 6.462 2.941 -16.683 1.00 0.00 C ATOM 1452 OD1 ASP A 118 7.545 3.489 -16.541 1.00 0.00 O ATOM 1453 OD2 ASP A 118 5.902 2.806 -17.760 1.00 0.00 O ATOM 0 H ASP A 118 8.470 1.271 -15.327 1.00 0.00 H new ATOM 0 HA ASP A 118 5.790 0.578 -14.227 1.00 0.00 H new ATOM 0 HB2 ASP A 118 4.695 2.277 -15.630 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.854 3.113 -14.616 1.00 0.00 H new ATOM 1458 N PRO A 119 5.366 -0.754 -16.297 1.00 0.00 N ATOM 1459 CA PRO A 119 4.251 -0.730 -15.310 1.00 0.00 C ATOM 1460 C PRO A 119 4.687 -1.361 -13.979 1.00 0.00 C ATOM 1461 O PRO A 119 5.759 -1.929 -13.868 1.00 0.00 O ATOM 1462 CB PRO A 119 3.167 -1.572 -15.977 1.00 0.00 C ATOM 1463 CG PRO A 119 3.897 -2.482 -16.913 1.00 0.00 C ATOM 1464 CD PRO A 119 5.161 -1.776 -17.330 1.00 0.00 C ATOM 0 HA PRO A 119 3.919 0.280 -15.069 1.00 0.00 H new ATOM 0 HB2 PRO A 119 2.599 -2.139 -15.239 1.00 0.00 H new ATOM 0 HB3 PRO A 119 2.455 -0.944 -16.513 1.00 0.00 H new ATOM 0 HG2 PRO A 119 4.129 -3.429 -16.426 1.00 0.00 H new ATOM 0 HG3 PRO A 119 3.281 -2.713 -17.782 1.00 0.00 H new ATOM 0 HD2 PRO A 119 6.004 -2.466 -17.379 1.00 0.00 H new ATOM 0 HD3 PRO A 119 5.058 -1.327 -18.318 1.00 0.00 H new ATOM 1472 N LEU A 120 3.858 -1.265 -12.971 1.00 0.00 N ATOM 1473 CA LEU A 120 4.210 -1.855 -11.644 1.00 0.00 C ATOM 1474 C LEU A 120 4.206 -3.385 -11.735 1.00 0.00 C ATOM 1475 O LEU A 120 3.167 -4.005 -11.870 1.00 0.00 O ATOM 1476 CB LEU A 120 3.122 -1.356 -10.686 1.00 0.00 C ATOM 1477 CG LEU A 120 3.585 -1.530 -9.236 1.00 0.00 C ATOM 1478 CD1 LEU A 120 4.712 -0.542 -8.930 1.00 0.00 C ATOM 1479 CD2 LEU A 120 2.409 -1.263 -8.292 1.00 0.00 C ATOM 0 H LEU A 120 2.950 -0.802 -13.010 1.00 0.00 H new ATOM 0 HA LEU A 120 5.204 -1.563 -11.306 1.00 0.00 H new ATOM 0 HB2 LEU A 120 2.904 -0.307 -10.884 1.00 0.00 H new ATOM 0 HB3 LEU A 120 2.198 -1.910 -10.851 1.00 0.00 H new ATOM 0 HG LEU A 120 3.948 -2.548 -9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 120 5.038 -0.670 -7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 120 5.551 -0.728 -9.601 1.00 0.00 H new ATOM 0 HD13 LEU A 120 4.352 0.477 -9.073 1.00 0.00 H new ATOM 0 HD21 LEU A 120 2.736 -1.386 -7.260 1.00 0.00 H new ATOM 0 HD22 LEU A 120 2.048 -0.245 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.605 -1.967 -8.504 1.00 0.00 H new ATOM 1491 N ASP A 121 5.365 -3.992 -11.668 1.00 0.00 N ATOM 1492 CA ASP A 121 5.449 -5.485 -11.754 1.00 0.00 C ATOM 1493 C ASP A 121 4.935 -6.119 -10.454 1.00 0.00 C ATOM 1494 O ASP A 121 5.701 -6.540 -9.606 1.00 0.00 O ATOM 1495 CB ASP A 121 6.936 -5.793 -11.959 1.00 0.00 C ATOM 1496 CG ASP A 121 7.314 -5.567 -13.427 1.00 0.00 C ATOM 1497 OD1 ASP A 121 7.652 -4.444 -13.766 1.00 0.00 O ATOM 1498 OD2 ASP A 121 7.261 -6.522 -14.184 1.00 0.00 O ATOM 0 H ASP A 121 6.261 -3.517 -11.557 1.00 0.00 H new ATOM 0 HA ASP A 121 4.840 -5.887 -12.564 1.00 0.00 H new ATOM 0 HB2 ASP A 121 7.541 -5.155 -11.315 1.00 0.00 H new ATOM 0 HB3 ASP A 121 7.146 -6.824 -11.674 1.00 0.00 H new ATOM 1503 N ILE A 122 3.637 -6.182 -10.296 1.00 0.00 N ATOM 1504 CA ILE A 122 3.054 -6.779 -9.053 1.00 0.00 C ATOM 1505 C ILE A 122 1.966 -7.807 -9.394 1.00 0.00 C ATOM 1506 O ILE A 122 1.378 -7.782 -10.461 1.00 0.00 O ATOM 1507 CB ILE A 122 2.449 -5.606 -8.257 1.00 0.00 C ATOM 1508 CG1 ILE A 122 1.474 -4.802 -9.135 1.00 0.00 C ATOM 1509 CG2 ILE A 122 3.566 -4.682 -7.764 1.00 0.00 C ATOM 1510 CD1 ILE A 122 0.070 -5.410 -9.047 1.00 0.00 C ATOM 0 H ILE A 122 2.954 -5.846 -10.975 1.00 0.00 H new ATOM 0 HA ILE A 122 3.817 -7.304 -8.479 1.00 0.00 H new ATOM 0 HB ILE A 122 1.905 -6.013 -7.405 1.00 0.00 H new ATOM 0 HG12 ILE A 122 1.450 -3.762 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 122 1.816 -4.804 -10.170 1.00 0.00 H new ATOM 0 HG21 ILE A 122 3.132 -3.855 -7.202 1.00 0.00 H new ATOM 0 HG22 ILE A 122 4.244 -5.242 -7.120 1.00 0.00 H new ATOM 0 HG23 ILE A 122 4.118 -4.290 -8.618 1.00 0.00 H new ATOM 0 HD11 ILE A 122 -0.615 -4.836 -9.671 1.00 0.00 H new ATOM 0 HD12 ILE A 122 0.098 -6.443 -9.395 1.00 0.00 H new ATOM 0 HD13 ILE A 122 -0.273 -5.384 -8.013 1.00 0.00 H new ATOM 1522 N THR A 123 1.690 -8.698 -8.478 1.00 0.00 N ATOM 1523 CA THR A 123 0.637 -9.732 -8.703 1.00 0.00 C ATOM 1524 C THR A 123 -0.218 -9.867 -7.439 1.00 0.00 C ATOM 1525 O THR A 123 0.296 -9.889 -6.335 1.00 0.00 O ATOM 1526 CB THR A 123 1.393 -11.038 -8.979 1.00 0.00 C ATOM 1527 OG1 THR A 123 2.321 -10.842 -10.039 1.00 0.00 O ATOM 1528 CG2 THR A 123 0.398 -12.133 -9.371 1.00 0.00 C ATOM 0 H THR A 123 2.156 -8.754 -7.572 1.00 0.00 H new ATOM 0 HA THR A 123 -0.027 -9.476 -9.529 1.00 0.00 H new ATOM 0 HB THR A 123 1.930 -11.338 -8.079 1.00 0.00 H new ATOM 0 HG1 THR A 123 2.803 -11.678 -10.211 1.00 0.00 H new ATOM 0 HG21 THR A 123 0.936 -13.060 -9.567 1.00 0.00 H new ATOM 0 HG22 THR A 123 -0.310 -12.289 -8.557 1.00 0.00 H new ATOM 0 HG23 THR A 123 -0.141 -11.830 -10.268 1.00 0.00 H new ATOM 1536 N CYS A 124 -1.513 -9.956 -7.585 1.00 0.00 N ATOM 1537 CA CYS A 124 -2.391 -10.083 -6.383 1.00 0.00 C ATOM 1538 C CYS A 124 -2.815 -11.535 -6.175 1.00 0.00 C ATOM 1539 O CYS A 124 -2.982 -12.287 -7.118 1.00 0.00 O ATOM 1540 CB CYS A 124 -3.619 -9.220 -6.675 1.00 0.00 C ATOM 1541 SG CYS A 124 -3.705 -7.849 -5.494 1.00 0.00 S ATOM 0 H CYS A 124 -2.001 -9.946 -8.481 1.00 0.00 H new ATOM 0 HA CYS A 124 -1.872 -9.766 -5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 124 -3.568 -8.832 -7.692 1.00 0.00 H new ATOM 0 HB3 CYS A 124 -4.523 -9.825 -6.609 1.00 0.00 H new ATOM 1546 N ASN A 125 -3.003 -11.929 -4.942 1.00 0.00 N ATOM 1547 CA ASN A 125 -3.435 -13.329 -4.665 1.00 0.00 C ATOM 1548 C ASN A 125 -4.462 -13.359 -3.524 1.00 0.00 C ATOM 1549 O ASN A 125 -4.462 -14.254 -2.699 1.00 0.00 O ATOM 1550 CB ASN A 125 -2.153 -14.077 -4.278 1.00 0.00 C ATOM 1551 CG ASN A 125 -2.007 -15.333 -5.143 1.00 0.00 C ATOM 1552 OD1 ASN A 125 -2.137 -16.438 -4.656 1.00 0.00 O ATOM 1553 ND2 ASN A 125 -1.738 -15.210 -6.415 1.00 0.00 N ATOM 0 H ASN A 125 -2.876 -11.342 -4.117 1.00 0.00 H new ATOM 0 HA ASN A 125 -3.921 -13.788 -5.526 1.00 0.00 H new ATOM 0 HB2 ASN A 125 -1.287 -13.428 -4.413 1.00 0.00 H new ATOM 0 HB3 ASN A 125 -2.185 -14.352 -3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 125 -1.637 -16.041 -6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 125 -1.628 -14.283 -6.826 1.00 0.00 H new ATOM 1560 N GLU A 126 -5.347 -12.386 -3.490 1.00 0.00 N ATOM 1561 CA GLU A 126 -6.407 -12.323 -2.426 1.00 0.00 C ATOM 1562 C GLU A 126 -5.792 -12.189 -1.019 1.00 0.00 C ATOM 1563 O GLU A 126 -4.593 -12.293 -0.835 1.00 0.00 O ATOM 1564 CB GLU A 126 -7.195 -13.633 -2.551 1.00 0.00 C ATOM 1565 CG GLU A 126 -8.698 -13.329 -2.561 1.00 0.00 C ATOM 1566 CD GLU A 126 -9.286 -13.672 -3.933 1.00 0.00 C ATOM 1567 OE1 GLU A 126 -9.484 -14.846 -4.196 1.00 0.00 O ATOM 1568 OE2 GLU A 126 -9.528 -12.752 -4.699 1.00 0.00 O ATOM 0 H GLU A 126 -5.380 -11.622 -4.165 1.00 0.00 H new ATOM 0 HA GLU A 126 -7.045 -11.449 -2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -6.913 -14.153 -3.466 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -6.953 -14.296 -1.720 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -9.201 -13.906 -1.785 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -8.867 -12.276 -2.335 1.00 0.00 H new